*HEADER    TRANSFERASE                             06-AUG-07   2JTQ              
*TITLE     RHODANESE FROM E.COLI                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PHAGE SHOCK PROTEIN E;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 EC: E.C. 2.8.1.1;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 GENE: PSPE;                                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
*KEYWDS    SOLUTION STRUCTURE RHODANESE, STRESS RESPONSE, TRANSFERASE            
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    C.JIN, H.LI                                                           
*REVDAT   1   17-JUN-08 2JTQ    0                                                


# 1324 atoms read from pdb file PspE_amber.pdb.
# 3 HIS PHI:  (2 GLU C)-(3 HIS N)-(3 HIS CA)-(3 HIS C) -156.2 -96.2
 &rst     iat =    26,    28,    30,    43,
   r1 = -157.2, r2 = -156.2, r3 = -96.2, r4 = -95.2,
   rk2 =   10.0, rk3 =   10.0,    &end

# 3 HIS PSI:  (3 HIS N)-(3 HIS CA)-(3 HIS C)-(4 TRP N) 106.2 166.2
 &rst     iat =    28,    30,    43,    45,
   r1 = 105.2, r2 = 106.2, r3 = 166.2, r4 = 167.2,
 &end

# 4 TRP PHI:  (3 HIS C)-(4 TRP N)-(4 TRP CA)-(4 TRP C) -133.0 -73.0
 &rst     iat =    43,    45,    47,    67,
   r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
 &end

# 4 TRP PSI:  (4 TRP N)-(4 TRP CA)-(4 TRP C)-(5 ILE N)  98.9 158.9
 &rst     iat =    45,    47,    67,    69,
   r1 =  97.9, r2 =  98.9, r3 = 158.9, r4 = 159.9,
 &end

# 11 GLU PHI:  (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -93.6 -33.6
 &rst     iat =   168,   170,   172,   183,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end

# 11 GLU PSI:  (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 GLN N) -71.9 -11.9
 &rst     iat =   170,   172,   183,   185,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 12 GLN PHI:  (11 GLU C)-(12 GLN N)-(12 GLN CA)-(12 GLN C) -93.9 -33.9
 &rst     iat =   183,   185,   187,   200,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 12 GLN PSI:  (12 GLN N)-(12 GLN CA)-(12 GLN C)-(13 TYR N) -73.9 -13.9
 &rst     iat =   185,   187,   200,   202,
   r1 = -74.9, r2 = -73.9, r3 = -13.9, r4 = -12.9,
 &end

# 13 TYR PHI:  (12 GLN C)-(13 TYR N)-(13 TYR CA)-(13 TYR C) -93.0 -33.0
 &rst     iat =   200,   202,   204,   221,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 13 TYR PSI:  (13 TYR N)-(13 TYR CA)-(13 TYR C)-(14 GLN N) -73.2 -13.1
 &rst     iat =   202,   204,   221,   223,
   r1 = -74.2, r2 = -73.2, r3 = -13.1, r4 = -12.1,
 &end

# 29 VAL PHI:  (28 GLU C)-(29 VAL N)-(29 VAL CA)-(29 VAL C) -91.6 -31.6
 &rst     iat =   459,   461,   463,   475,
   r1 = -92.6, r2 = -91.6, r3 = -31.6, r4 = -30.6,
 &end

# 29 VAL PSI:  (29 VAL N)-(29 VAL CA)-(29 VAL C)-(30 LYS N) -70.5 -10.5
 &rst     iat =   461,   463,   475,   477,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end

# 30 LYS PHI:  (29 VAL C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -88.8 -28.8
 &rst     iat =   475,   477,   479,   497,
   r1 = -89.8, r2 = -88.8, r3 = -28.8, r4 = -27.8,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 GLU N) -68.9  -8.9
 &rst     iat =   477,   479,   497,   499,
   r1 = -69.9, r2 = -68.9, r3 =  -8.9, r4 =  -7.9,
 &end

# 31 GLU PHI:  (30 LYS C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -104.2 -44.2
 &rst     iat =   497,   499,   501,   512,
   r1 = -105.2, r2 = -104.2, r3 = -44.2, r4 = -43.2,
 &end

# 31 GLU PSI:  (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 ARG N) -55.4   4.6
 &rst     iat =   499,   501,   512,   514,
   r1 = -56.4, r2 = -55.4, r3 =   4.6, r4 =   5.6,
 &end

# 34 ALA PHI:  (33 ILE C)-(34 ALA N)-(34 ALA CA)-(34 ALA C) -93.7 -33.7
 &rst     iat =   555,   557,   559,   565,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end

# 34 ALA PSI:  (34 ALA N)-(34 ALA CA)-(34 ALA C)-(35 THR N) -68.0  -8.0
 &rst     iat =   557,   559,   565,   567,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end

# 44 VAL PHI:  (43 THR C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -149.7 -89.7
 &rst     iat =   693,   695,   697,   709,
   r1 = -150.7, r2 = -149.7, r3 = -89.7, r4 = -88.7,
 &end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 LYS N)  99.6 159.6
 &rst     iat =   695,   697,   709,   711,
   r1 =  98.6, r2 =  99.6, r3 = 159.6, r4 = 160.6,
 &end

# 45 LYS PHI:  (44 VAL C)-(45 LYS N)-(45 LYS CA)-(45 LYS C) -127.9 -67.9
 &rst     iat =   709,   711,   713,   731,
   r1 = -128.9, r2 = -127.9, r3 = -67.9, r4 = -66.9,
 &end

# 45 LYS PSI:  (45 LYS N)-(45 LYS CA)-(45 LYS C)-(46 VAL N) 107.1 167.1
 &rst     iat =   711,   713,   731,   733,
   r1 = 106.1, r2 = 107.1, r3 = 167.1, r4 = 168.1,
 &end

# 46 VAL PHI:  (45 LYS C)-(46 VAL N)-(46 VAL CA)-(46 VAL C) -157.1 -97.1
 &rst     iat =   731,   733,   735,   747,
   r1 = -158.1, r2 = -157.1, r3 = -97.1, r4 = -96.1,
 &end

# 46 VAL PSI:  (46 VAL N)-(46 VAL CA)-(46 VAL C)-(47 TYR N) 113.7 173.7
 &rst     iat =   733,   735,   747,   749,
   r1 = 112.7, r2 = 113.7, r3 = 173.7, r4 = 174.7,
 &end

# 53 GLN PHI:  (52 ARG C)-(53 GLN N)-(53 GLN CA)-(53 GLN C) -93.6 -33.6
 &rst     iat =   834,   836,   838,   851,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end

# 53 GLN PSI:  (53 GLN N)-(53 GLN CA)-(53 GLN C)-(54 SER N) -70.5 -10.5
 &rst     iat =   836,   838,   851,   853,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end

# 54 SER PHI:  (53 GLN C)-(54 SER N)-(54 SER CA)-(54 SER C) -91.0 -31.0
 &rst     iat =   851,   853,   855,   862,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end

# 54 SER PSI:  (54 SER N)-(54 SER CA)-(54 SER C)-(55 GLY N) -79.0 -19.0
 &rst     iat =   853,   855,   862,   864,
   r1 = -80.0, r2 = -79.0, r3 = -19.0, r4 = -18.0,
 &end

# 55 GLY PHI:  (54 SER C)-(55 GLY N)-(55 GLY CA)-(55 GLY C) -90.8 -30.8
 &rst     iat =   862,   864,   866,   869,
   r1 = -91.8, r2 = -90.8, r3 = -30.8, r4 = -29.8,
 &end

# 55 GLY PSI:  (55 GLY N)-(55 GLY CA)-(55 GLY C)-(56 GLN N) -62.8  -2.8
 &rst     iat =   864,   866,   869,   871,
   r1 = -63.8, r2 = -62.8, r3 =  -2.8, r4 =  -1.8,
 &end

# 56 GLN PHI:  (55 GLY C)-(56 GLN N)-(56 GLN CA)-(56 GLN C) -100.1 -40.1
 &rst     iat =   869,   871,   873,   886,
   r1 = -101.1, r2 = -100.1, r3 = -40.1, r4 = -39.1,
 &end

# 56 GLN PSI:  (56 GLN N)-(56 GLN CA)-(56 GLN C)-(57 ALA N) -64.6  -4.6
 &rst     iat =   871,   873,   886,   888,
   r1 = -65.6, r2 = -64.6, r3 =  -4.6, r4 =  -3.6,
 &end

# 57 ALA PHI:  (56 GLN C)-(57 ALA N)-(57 ALA CA)-(57 ALA C) -98.9 -38.9
 &rst     iat =   886,   888,   890,   896,
   r1 = -99.9, r2 = -98.9, r3 = -38.9, r4 = -37.9,
 &end

# 57 ALA PSI:  (57 ALA N)-(57 ALA CA)-(57 ALA C)-(58 LYS N) -66.8  -6.8
 &rst     iat =   888,   890,   896,   898,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end

# 58 LYS PHI:  (57 ALA C)-(58 LYS N)-(58 LYS CA)-(58 LYS C) -94.4 -34.4
 &rst     iat =   896,   898,   900,   918,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end

# 58 LYS PSI:  (58 LYS N)-(58 LYS CA)-(58 LYS C)-(59 GLU N) -72.5 -12.5
 &rst     iat =   898,   900,   918,   920,
   r1 = -73.5, r2 = -72.5, r3 = -12.5, r4 = -11.5,
 &end

# 59 GLU PHI:  (58 LYS C)-(59 GLU N)-(59 GLU CA)-(59 GLU C) -95.1 -35.1
 &rst     iat =   918,   920,   922,   933,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 59 GLU PSI:  (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 ILE N) -70.7 -10.7
 &rst     iat =   920,   922,   933,   935,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end

# 60 ILE PHI:  (59 GLU C)-(60 ILE N)-(60 ILE CA)-(60 ILE C) -93.4 -33.4
 &rst     iat =   933,   935,   937,   952,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end

# 60 ILE PSI:  (60 ILE N)-(60 ILE CA)-(60 ILE C)-(61 LEU N) -71.1 -11.1
 &rst     iat =   935,   937,   952,   954,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end

# 61 LEU PHI:  (60 ILE C)-(61 LEU N)-(61 LEU CA)-(61 LEU C) -94.0 -34.0
 &rst     iat =   952,   954,   956,   971,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 61 LEU PSI:  (61 LEU N)-(61 LEU CA)-(61 LEU C)-(62 SER N) -69.9  -9.9
 &rst     iat =   954,   956,   971,   973,
   r1 = -70.9, r2 = -69.9, r3 =  -9.9, r4 =  -8.9,
 &end

# 62 SER PHI:  (61 LEU C)-(62 SER N)-(62 SER CA)-(62 SER C) -96.6 -36.6
 &rst     iat =   971,   973,   975,   982,
   r1 = -97.6, r2 = -96.6, r3 = -36.6, r4 = -35.6,
 &end

# 62 SER PSI:  (62 SER N)-(62 SER CA)-(62 SER C)-(63 GLU N) -64.7  -4.6
 &rst     iat =   973,   975,   982,   984,
   r1 = -65.7, r2 = -64.7, r3 =  -4.6, r4 =  -3.6,
 &end

# 63 GLU PHI:  (62 SER C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -99.2 -39.2
 &rst     iat =   982,   984,   986,   997,
   r1 = -100.2, r2 = -99.2, r3 = -39.2, r4 = -38.2,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 MET N) -56.2   3.8
 &rst     iat =   984,   986,   997,   999,
   r1 = -57.2, r2 = -56.2, r3 =   3.8, r4 =   4.8,
 &end

# 69 VAL PHI:  (68 HIS C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -140.4 -80.4
 &rst     iat =  1073,  1075,  1077,  1089,
   r1 = -141.4, r2 = -140.4, r3 = -80.4, r4 = -79.4,
 &end

# 69 VAL PSI:  (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 GLU N) 106.4 166.4
 &rst     iat =  1075,  1077,  1089,  1091,
   r1 = 105.4, r2 = 106.4, r3 = 166.4, r4 = 167.4,
 &end

# 71 ASN PHI:  (70 GLU C)-(71 ASN N)-(71 ASN CA)-(71 ASN C) -122.0 -62.0
 &rst     iat =  1104,  1106,  1108,  1118,
   r1 = -123.0, r2 = -122.0, r3 = -62.0, r4 = -61.0,
 &end

# 71 ASN PSI:  (71 ASN N)-(71 ASN CA)-(71 ASN C)-(72 ALA N)  94.0 154.0
 &rst     iat =  1106,  1108,  1118,  1120,
   r1 =  93.0, r2 =  94.0, r3 = 154.0, r4 = 155.0,
 &end

# 82 LYS PHI:  (81 PRO C)-(82 LYS N)-(82 LYS CA)-(82 LYS C) -135.3 -75.3
 &rst     iat =  1255,  1257,  1259,  1277,
   r1 = -136.3, r2 = -135.3, r3 = -75.3, r4 = -74.3,
 &end

# 82 LYS PSI:  (82 LYS N)-(82 LYS CA)-(82 LYS C)-(83 VAL N) 112.3 172.3
 &rst     iat =  1257,  1259,  1277,  1279,
   r1 = 111.3, r2 = 112.3, r3 = 172.3, r4 = 173.3,
 &end

# 83 VAL PHI:  (82 LYS C)-(83 VAL N)-(83 VAL CA)-(83 VAL C) -142.4 -82.4
 &rst     iat =  1277,  1279,  1281,  1293,
   r1 = -143.4, r2 = -142.4, r3 = -82.4, r4 = -81.4,
 &end

# 83 VAL PSI:  (83 VAL N)-(83 VAL CA)-(83 VAL C)-(84 LYS N) 101.3 161.3
 &rst     iat =  1279,  1281,  1293,  1295,
   r1 = 100.3, r2 = 101.3, r3 = 161.3, r4 = 162.3,
 &end

#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 40., rk3=40.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=15,20,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,23,21,22, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,26,16,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=30,35,33,34, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=28,43,31,32, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=47,52,50,51, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=45,67,48,49, &end
#
#  chirality for residue 5 atoms:  CA CG2 CG1 HB
 &rst iat=71,75,79,74, &end
#
#  chirality for residue 5 atoms:  CB CD1 HG12 HG13
 &rst iat=73,82,80,81, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=69,86,72,73, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=90,95,93,94, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=88,98,91,92, &end
#
#  chirality for residue 7 atoms:  CA CG1 CG2 HB
 &rst iat=102,106,110,105, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=100,114,103,104, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=118,123,121,122, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=120,126,124,125, &end
#
#  chirality for residue 8 atoms:  CG NE HD2 HD3
 &rst iat=123,129,127,128, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=116,138,119,120, &end
#
#  chirality for residue 9 atoms:  CA CG1 CG2 HB
 &rst iat=142,146,150,145, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=140,154,143,144, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=166,160,164,165, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=163,157,161,162, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=160,156,158,159, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=156,168,167,163, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=172,177,175,176, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=174,180,178,179, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=170,183,173,174, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=187,192,190,191, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=189,195,193,194, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=185,200,188,189, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=204,209,207,208, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=202,221,205,206, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=225,230,228,229, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=227,233,231,232, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=223,238,226,227, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=244,250,248,249, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=240,255,243,244, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=259,264,262,263, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=261,267,265,266, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=257,270,260,261, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=274,279,277,278, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=272,287,275,276, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=291,295,299,294, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=289,303,292,293, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=307,312,310,311, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=309,315,313,314, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=305,320,308,309, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=322,327,325,326, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=329,337,332,333, &end
#
#  chirality for residue 22 atoms:  CA CG2 CG1 HB
 &rst iat=341,345,349,344, &end
#
#  chirality for residue 22 atoms:  CB CD1 HG12 HG13
 &rst iat=343,352,350,351, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=339,356,342,343, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=360,365,363,364, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=358,370,361,362, &end
#
#  chirality for residue 24 atoms:  CA CG2 CG1 HB
 &rst iat=374,378,382,377, &end
#
#  chirality for residue 24 atoms:  CB CD1 HG12 HG13
 &rst iat=376,385,383,384, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=372,389,375,376, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=401,395,399,400, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=398,392,396,397, &end
#
#  chirality for residue 25 atoms:  CG N HD2 HD3
 &rst iat=395,391,393,394, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=391,403,402,398, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=407,412,410,411, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=409,414,418,413, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=405,422,408,409, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=426,431,429,430, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=428,434,432,433, &end
#
#  chirality for residue 27 atoms:  CD NZ HE2 HE3
 &rst iat=434,440,438,439, &end
#
#  chirality for residue 27 atoms:  CG CE HD2 HD3
 &rst iat=431,437,435,436, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=424,444,427,428, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=450,456,454,455, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=446,459,449,450, &end
#
#  chirality for residue 29 atoms:  CA CG1 CG2 HB
 &rst iat=463,467,471,466, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=461,475,464,465, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=479,484,482,483, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=481,487,485,486, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=487,493,491,492, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=484,490,488,489, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=477,497,480,481, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=501,506,504,505, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=503,509,507,508, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=499,512,502,503, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=516,521,519,520, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=518,524,522,523, &end
#
#  chirality for residue 32 atoms:  CG NE HD2 HD3
 &rst iat=521,527,525,526, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=514,536,517,518, &end
#
#  chirality for residue 33 atoms:  CA CG2 CG1 HB
 &rst iat=540,544,548,543, &end
#
#  chirality for residue 33 atoms:  CB CD1 HG12 HG13
 &rst iat=542,551,549,550, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=538,555,541,542, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=557,565,560,561, &end
#
#  chirality for residue 35 atoms:  CA CG2 OG1 HB
 &rst iat=569,573,577,572, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=567,579,570,571, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=581,589,584,585, &end
#
#  chirality for residue 37 atoms:  CA CG1 CG2 HB
 &rst iat=593,597,601,596, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=591,605,594,595, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=617,611,615,616, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=614,608,612,613, &end
#
#  chirality for residue 38 atoms:  CG N HD2 HD3
 &rst iat=611,607,609,610, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=607,619,618,614, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=623,628,626,627, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=621,631,624,625, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=635,640,638,639, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=637,643,641,642, &end
#
#  chirality for residue 40 atoms:  CD NZ HE2 HE3
 &rst iat=643,649,647,648, &end
#
#  chirality for residue 40 atoms:  CG CE HD2 HD3
 &rst iat=640,646,644,645, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=633,653,636,637, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=657,662,660,661, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=655,667,658,659, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=671,676,674,675, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=669,679,672,673, &end
#
#  chirality for residue 43 atoms:  CA CG2 OG1 HB
 &rst iat=683,687,691,686, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=681,693,684,685, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=697,701,705,700, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=695,709,698,699, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=715,721,719,720, &end
#
#  chirality for residue 45 atoms:  CD NZ HE2 HE3
 &rst iat=721,727,725,726, &end
#
#  chirality for residue 45 atoms:  CG CE HD2 HD3
 &rst iat=718,724,722,723, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=711,731,714,715, &end
#
#  chirality for residue 46 atoms:  CA CG1 CG2 HB
 &rst iat=735,739,743,738, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=733,747,736,737, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=751,756,754,755, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=749,768,752,753, &end
#
#  chirality for residue 48 atoms:  CA SG HB2 HB3
 &rst iat=772,777,775,776, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=770,779,773,774, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=783,788,786,787, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=781,793,784,785, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=795,803,798,799, &end
#
#  chirality for residue 51 atoms:  N C HA2 HA3
 &rst iat=805,810,808,809, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=814,819,817,818, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=816,822,820,821, &end
#
#  chirality for residue 52 atoms:  CG NE HD2 HD3
 &rst iat=819,825,823,824, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=812,834,815,816, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=838,843,841,842, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=840,846,844,845, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=836,851,839,840, &end
#
#  chirality for residue 54 atoms:  CA OG HB2 HB3
 &rst iat=855,860,858,859, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=853,862,856,857, &end
#
#  chirality for residue 55 atoms:  N C HA2 HA3
 &rst iat=864,869,867,868, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=873,878,876,877, &end
#
#  chirality for residue 56 atoms:  CB CD HG2 HG3
 &rst iat=875,881,879,880, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=871,886,874,875, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=888,896,891,892, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=900,905,903,904, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=902,908,906,907, &end
#
#  chirality for residue 58 atoms:  CD NZ HE2 HE3
 &rst iat=908,914,912,913, &end
#
#  chirality for residue 58 atoms:  CG CE HD2 HD3
 &rst iat=905,911,909,910, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=898,918,901,902, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=922,927,925,926, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=924,930,928,929, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=920,933,923,924, &end
#
#  chirality for residue 60 atoms:  CA CG2 CG1 HB
 &rst iat=937,941,945,940, &end
#
#  chirality for residue 60 atoms:  CB CD1 HG12 HG13
 &rst iat=939,948,946,947, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=935,952,938,939, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=956,961,959,960, &end
#
#  chirality for residue 61 atoms:  CB CD1 CD2 HG
 &rst iat=958,963,967,962, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=954,971,957,958, &end
#
#  chirality for residue 62 atoms:  CA OG HB2 HB3
 &rst iat=975,980,978,979, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=973,982,976,977, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=986,991,989,990, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=988,994,992,993, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=984,997,987,988, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1001,1006,1004,1005, &end
#
#  chirality for residue 64 atoms:  CB SD HG2 HG3
 &rst iat=1003,1009,1007,1008, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=999,1014,1002,1003, &end
#
#  chirality for residue 65 atoms:  N C HA2 HA3
 &rst iat=1016,1021,1019,1020, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1025,1030,1028,1029, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1023,1042,1026,1027, &end
#
#  chirality for residue 67 atoms:  CA CG2 OG1 HB
 &rst iat=1046,1050,1054,1049, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1044,1056,1047,1048, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1060,1065,1063,1064, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1058,1073,1061,1062, &end
#
#  chirality for residue 69 atoms:  CA CG1 CG2 HB
 &rst iat=1077,1081,1085,1080, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1075,1089,1078,1079, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1093,1098,1096,1097, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1095,1101,1099,1100, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1091,1104,1094,1095, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1108,1113,1111,1112, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1106,1118,1109,1110, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1120,1128,1123,1124, &end
#
#  chirality for residue 73 atoms:  N C HA2 HA3
 &rst iat=1130,1135,1133,1134, &end
#
#  chirality for residue 74 atoms:  N C HA2 HA3
 &rst iat=1137,1142,1140,1141, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1146,1151,1149,1150, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1148,1153,1157,1152, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1144,1161,1147,1148, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1165,1170,1168,1169, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1167,1173,1171,1172, &end
#
#  chirality for residue 76 atoms:  CD NZ HE2 HE3
 &rst iat=1173,1179,1177,1178, &end
#
#  chirality for residue 76 atoms:  CG CE HD2 HD3
 &rst iat=1170,1176,1174,1175, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1163,1183,1166,1167, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1187,1192,1190,1191, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1185,1195,1188,1189, &end
#
#  chirality for residue 78 atoms:  CA CG2 CG1 HB
 &rst iat=1199,1203,1207,1202, &end
#
#  chirality for residue 78 atoms:  CB CD1 HG12 HG13
 &rst iat=1201,1210,1208,1209, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1197,1214,1200,1201, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1216,1224,1219,1220, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1228,1233,1231,1232, &end
#
#  chirality for residue 80 atoms:  CB SD HG2 HG3
 &rst iat=1230,1236,1234,1235, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1226,1241,1229,1230, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1253,1247,1251,1252, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1250,1244,1248,1249, &end
#
#  chirality for residue 81 atoms:  CG N HD2 HD3
 &rst iat=1247,1243,1245,1246, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1243,1255,1254,1250, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1259,1264,1262,1263, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1261,1267,1265,1266, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1267,1273,1271,1272, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1264,1270,1268,1269, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1257,1277,1260,1261, &end
#
#  chirality for residue 83 atoms:  CA CG1 CG2 HB
 &rst iat=1281,1285,1289,1284, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1279,1293,1282,1283, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1297,1302,1300,1301, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1299,1305,1303,1304, &end
#
#  chirality for residue 84 atoms:  CD NZ HE2 HE3
 &rst iat=1305,1311,1309,1310, &end
#
#  chirality for residue 84 atoms:  CG CE HD2 HD3
 &rst iat=1302,1308,1306,1307, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1295,1315,1298,1299, &end
#
#  chirality for residue 85 atoms:  N C HA2 HA3
 &rst iat=1317,1322,1320,1321, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 40., rk3=40.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=30,28,26,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=47,45,43,30, &end
#
#  trans-omega constraint for residue 5
 &rst iat=71,69,67,47, &end
#
#  trans-omega constraint for residue 6
 &rst iat=90,88,86,71, &end
#
#  trans-omega constraint for residue 7
 &rst iat=102,100,98,90, &end
#
#  trans-omega constraint for residue 8
 &rst iat=118,116,114,102, &end
#
#  trans-omega constraint for residue 9
 &rst iat=142,140,138,118, &end
#
#  trans-omega constraint for residue 10
 &rst iat=166,156,154,142, &end
#
#  trans-omega constraint for residue 11
 &rst iat=172,170,168,166, &end
#
#  trans-omega constraint for residue 12
 &rst iat=187,185,183,172, &end
#
#  trans-omega constraint for residue 13
 &rst iat=204,202,200,187, &end
#
#  trans-omega constraint for residue 14
 &rst iat=225,223,221,204, &end
#
#  trans-omega constraint for residue 15
 &rst iat=242,240,238,225, &end
#
#  trans-omega constraint for residue 16
 &rst iat=259,257,255,242, &end
#
#  trans-omega constraint for residue 17
 &rst iat=274,272,270,259, &end
#
#  trans-omega constraint for residue 18
 &rst iat=291,289,287,274, &end
#
#  trans-omega constraint for residue 19
 &rst iat=307,305,303,291, &end
#
#  trans-omega constraint for residue 20
 &rst iat=324,322,320,307, &end
#
#  trans-omega constraint for residue 21
 &rst iat=331,329,327,324, &end
#
#  trans-omega constraint for residue 22
 &rst iat=341,339,337,331, &end
#
#  trans-omega constraint for residue 23
 &rst iat=360,358,356,341, &end
#
#  trans-omega constraint for residue 24
 &rst iat=374,372,370,360, &end
#
#  trans-omega constraint for residue 25
 &rst iat=401,391,389,374, &end
#
#  trans-omega constraint for residue 26
 &rst iat=407,405,403,401, &end
#
#  trans-omega constraint for residue 27
 &rst iat=426,424,422,407, &end
#
#  trans-omega constraint for residue 28
 &rst iat=448,446,444,426, &end
#
#  trans-omega constraint for residue 29
 &rst iat=463,461,459,448, &end
#
#  trans-omega constraint for residue 30
 &rst iat=479,477,475,463, &end
#
#  trans-omega constraint for residue 31
 &rst iat=501,499,497,479, &end
#
#  trans-omega constraint for residue 32
 &rst iat=516,514,512,501, &end
#
#  trans-omega constraint for residue 33
 &rst iat=540,538,536,516, &end
#
#  trans-omega constraint for residue 34
 &rst iat=559,557,555,540, &end
#
#  trans-omega constraint for residue 35
 &rst iat=569,567,565,559, &end
#
#  trans-omega constraint for residue 36
 &rst iat=583,581,579,569, &end
#
#  trans-omega constraint for residue 37
 &rst iat=593,591,589,583, &end
#
#  trans-omega constraint for residue 38
 &rst iat=617,607,605,593, &end
#
#  trans-omega constraint for residue 39
 &rst iat=623,621,619,617, &end
#
#  trans-omega constraint for residue 40
 &rst iat=635,633,631,623, &end
#
#  trans-omega constraint for residue 41
 &rst iat=657,655,653,635, &end
#
#  trans-omega constraint for residue 42
 &rst iat=671,669,667,657, &end
#
#  trans-omega constraint for residue 43
 &rst iat=683,681,679,671, &end
#
#  trans-omega constraint for residue 44
 &rst iat=697,695,693,683, &end
#
#  trans-omega constraint for residue 45
 &rst iat=713,711,709,697, &end
#
#  trans-omega constraint for residue 46
 &rst iat=735,733,731,713, &end
#
#  trans-omega constraint for residue 47
 &rst iat=751,749,747,735, &end
#
#  trans-omega constraint for residue 48
 &rst iat=772,770,768,751, &end
#
#  trans-omega constraint for residue 49
 &rst iat=783,781,779,772, &end
#
#  trans-omega constraint for residue 50
 &rst iat=797,795,793,783, &end
#
#  trans-omega constraint for residue 51
 &rst iat=807,805,803,797, &end
#
#  trans-omega constraint for residue 52
 &rst iat=814,812,810,807, &end
#
#  trans-omega constraint for residue 53
 &rst iat=838,836,834,814, &end
#
#  trans-omega constraint for residue 54
 &rst iat=855,853,851,838, &end
#
#  trans-omega constraint for residue 55
 &rst iat=866,864,862,855, &end
#
#  trans-omega constraint for residue 56
 &rst iat=873,871,869,866, &end
#
#  trans-omega constraint for residue 57
 &rst iat=890,888,886,873, &end
#
#  trans-omega constraint for residue 58
 &rst iat=900,898,896,890, &end
#
#  trans-omega constraint for residue 59
 &rst iat=922,920,918,900, &end
#
#  trans-omega constraint for residue 60
 &rst iat=937,935,933,922, &end
#
#  trans-omega constraint for residue 61
 &rst iat=956,954,952,937, &end
#
#  trans-omega constraint for residue 62
 &rst iat=975,973,971,956, &end
#
#  trans-omega constraint for residue 63
 &rst iat=986,984,982,975, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1001,999,997,986, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1018,1016,1014,1001, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1025,1023,1021,1018, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1046,1044,1042,1025, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1060,1058,1056,1046, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1077,1075,1073,1060, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1093,1091,1089,1077, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1108,1106,1104,1093, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1122,1120,1118,1108, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1132,1130,1128,1122, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1139,1137,1135,1132, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1146,1144,1142,1139, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1165,1163,1161,1146, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1187,1185,1183,1165, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1199,1197,1195,1187, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1218,1216,1214,1199, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1228,1226,1224,1218, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1253,1243,1241,1228, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1259,1257,1255,1253, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1281,1279,1277,1259, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1297,1295,1293,1281, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1319,1317,1315,1297, &end
#
#   67 THR  HN           67 THR  HB          4.50    (#      0:20  Unique         3.71, 3.79 A)
 &rst
  ixpk= 0, nxpk= 20, iat=1045,1049, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   67 THR  MG2          67 THR  HB          2.80    (#      2:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1051,1052,1053,
 &end
#
#   35 THR  HN           35 THR  HB          3.50    (#      3:20  Unique         2.59, 2.84 A)
 &rst
  ixpk= 3, nxpk= 20, iat= 568, 572, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ALA  HN           35 THR  HB          3.50    (#      4:20  Unique         2.78, 2.97 A)
 &rst
  ixpk= 4, nxpk= 20, iat= 582, 572, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 THR  MG2          35 THR  HB          2.80    (#      6:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1, 572, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 574, 575, 576,
 &end
#
#   43 THR  HN           43 THR  HB          3.50    (#      7:20  Unique         2.47, 2.58 A)
 &rst
  ixpk= 7, nxpk= 20, iat= 682, 686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    2 GLU  HA           43 THR  HB          2.80    (#      8:20  Unique         2.00, 2.05 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  16, 686, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:10      43 THR  HB          3.50    (#     10:20  Single Ambig)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:11      43 THR  HB          3.50    (#     11:20  Single Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  18,  19,  18,  19,
 &end
#
#   43 THR  MG2          43 THR  HB          2.80    (#     12:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 688, 689, 690,
 &end
#
#    0 AMB  20-2:13      29 VAL  HA          4.50    (#     13:20  Single Ambig)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 541, 408,
 &end
#
#   29 VAL  MGX          29 VAL  HA          3.50    (#     14:20  Unique         2.03, 3.30 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   33 ILE  HN           29 VAL  HA          3.50    (#     15:20  Unique         2.29, 2.79 A)
 &rst
  ixpk= 15, nxpk= 20, iat= 539, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ARG  HN           29 VAL  HA          4.50    (#     16:20  Unique         2.99, 3.31 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 515, 464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HN           29 VAL  HA          3.50    (#     17:20  Unique         2.69, 2.77 A)
 &rst
  ixpk= 17, nxpk= 20, iat= 462, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HB           29 VAL  HA          3.50    (#     18:20  Unique         2.51, 2.73 A)
 &rst
  ixpk= 18, nxpk= 20, iat= 466, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ARG  HB+          29 VAL  HA          3.50    (#     19:20  Unique         1.89, 2.79 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 519, 520,
 &end
#
#   32 ARG  HB-          29 VAL  HA          3.50    (#     20:20  Unique         1.89, 2.79 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 519, 520,
 &end
#
#   29 VAL  MGY          29 VAL  HA          2.80    (#     21:20  Unique         2.03, 3.30 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:22      29 VAL  HA          2.80    (#     22:20  Single Ambig)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   13 TYR  HN           10 PRO  HA          3.50    (#     23:20  Unique         2.97, 3.27 A)
 &rst
  ixpk= 23, nxpk= 20, iat= 203, 167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:24      10 PRO  HA          3.50    (#     24:20  Single Ambig)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 158, 159, 158, 159,
 &end
#
#   13 TYR  HB+          10 PRO  HA          3.50    (#     25:20  Unique         2.00, 2.64 A)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#   13 TYR  HB-          10 PRO  HA          3.50    (#     26:20  Unique         2.00, 2.64 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#   10 PRO  HB+          10 PRO  HA          2.80    (#     27:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 164, 165,
 &end
#
#    0 AMB  20-2:28      10 PRO  HA          3.50    (#     28:20  Single Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 399, 400, 161, 162, 190, 191, 190, 191,
 &end
#
#    0 AMB  20-2:29      10 PRO  HA          3.50    (#     29:20  Single Ambig)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 396, 397, 161, 162, 124, 125,
 &end
#
#   61 LEU  HN           60 ILE  HA          4.50    (#     30:20  Unique         3.51, 3.55 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 955, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLU  HN           60 ILE  HA          4.50    (#     31:20  Unique         3.45, 3.82 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 985, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:32      60 ILE  HA          3.50    (#     32:20  Single Ambig)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:33      60 ILE  HA          2.80    (#     33:20  Single Ambig)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 946, 947, 940,
 &end
#
#   60 ILE  HG1+         60 ILE  HA          2.80    (#     34:20  Unique         2.51, 2.76 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 946, 947,
 &end
#
#   60 ILE  QG2          60 ILE  HA          2.80    (#     35:20  Unique         2.37, 3.12 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 942, 943, 944,
 &end
#
#   39 ASP  HN           38 PRO  HA          4.50    (#     36:20  Unique         3.39, 3.44 A)
 &rst
  ixpk= 36, nxpk= 20, iat= 622, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ALA  HA           38 PRO  HA          3.50    (#     37:20  Unique         3.14, 3.45 A)
 &rst
  ixpk= 37, nxpk= 20, iat= 560, 618, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 PRO  HD-          38 PRO  HA          4.50    (#     38:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 609, 610,
 &end
#
#   38 PRO  HB+          38 PRO  HA          2.80    (#     39:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 615, 616,
 &end
#
#   38 PRO  HB-          38 PRO  HA          2.80    (#     40:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 615, 616,
 &end
#
#    0 AMB  20-2:41      38 PRO  HA          4.50    (#     41:20  Single Ambig)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 562, 563, 564, 598, 599, 600, 602, 603, 604,
 &end
#
#   68 HIS  HB+          43 THR  HA          4.50    (#     43:20  Unique         1.98, 3.12 A)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#   68 HIS  HB-          43 THR  HA          4.50    (#     44:20  Unique         1.98, 3.12 A)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#   43 THR  MG2          43 THR  HA          4.50    (#     45:20  Unique         2.23, 3.11 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 688, 689, 690,
 &end
#
#   36 ALA  HN           35 THR  HA          3.50    (#     46:20  Unique         3.45, 3.48 A)
 &rst
  ixpk= 46, nxpk= 20, iat= 582, 570, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  MB           35 THR  HA          4.50    (#     47:20  Unique         4.07, 4.95 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 562, 563, 564,
 &end
#
#   35 THR  HN           35 THR  HA          3.50    (#     48:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 568, 570, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:49      35 THR  HA          4.50    (#     49:20  Single Ambig)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 612, 613, 612, 613,
 &end
#
#    0 AMB  20-2:50       0 AMB  20-1:50     2.80    (#     50:20  Double Ambig)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 574, 575, 576, 906, 907,
 igr2= 570, 978, 979,
 &end
#
#   19 GLN  HN           18 VAL  HA          2.80    (#     51:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 51, nxpk= 20, iat= 306, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 VAL  HN           18 VAL  HA          4.50    (#     52:20  Unique         3.08, 3.81 A)
 &rst
  ixpk= 52, nxpk= 20, iat=1280, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:54      18 VAL  HA          5.50    (#     54:20  Single Ambig)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 310, 311, 262, 263,
 &end
#
#    0 AMB  20-2:55      18 VAL  HA          4.50    (#     55:20  Single Ambig)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1268,1269,1262,1263,
 &end
#
#    0 AMB  20-2:56      18 VAL  HA          4.50    (#     56:20  Single Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1265,1266,1154,1155,1156,1158,1159,1160,
 &end
#
#   18 VAL  MGY          18 VAL  HA          2.80    (#     57:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#   18 VAL  HN           18 VAL  HA          3.50    (#     58:20  Unique         2.78, 2.85 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:59      18 VAL  HA          3.50    (#     59:20  Single Ambig)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 294,1262,1263,
 &end
#
#    0 AMB  20-2:60      18 VAL  HA          5.50    (#     60:20  Single Ambig)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   81 PRO  HG-          81 PRO  HA          3.50    (#     61:20  Unique         3.85, 3.94 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1248,1249,
 &end
#
#   82 LYS  HN           81 PRO  HA          2.80    (#     62:20  Unique         2.15, 2.19 A)
 &rst
  ixpk= 62, nxpk= 20, iat=1258,1254, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   81 PRO  HB+          81 PRO  HA          2.80    (#     63:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1251,1252,
 &end
#
#   81 PRO  HB-          81 PRO  HA          3.50    (#     64:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1251,1252,
 &end
#
#    0 AMB  20-2:65      81 PRO  HA          4.50    (#     65:20  Single Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1268,1269,1262,1263,
 &end
#
#   68 HIS  HN           67 THR  HA          4.50    (#     68:20  Unique         2.72, 2.98 A)
 &rst
  ixpk= 68, nxpk= 20, iat=1059,1047, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 THR  HN           67 THR  HA          3.50    (#     69:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 69, nxpk= 20, iat=1045,1047, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 THR  MG2          67 THR  HA          2.80    (#     70:20  Unique         2.45, 3.18 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,1047, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1051,1052,1053,
 &end
#
#   78 ILE  HG1+         78 ILE  HA          2.80    (#     78:20  Unique         2.55, 2.80 A)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1208,1209,
 &end
#
#   79 ALA  HN           78 ILE  HA          3.50    (#     79:20  Unique         2.14, 2.57 A)
 &rst
  ixpk= 79, nxpk= 20, iat=1217,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  HN           78 ILE  HA          3.50    (#     80:20  Unique         2.76, 2.88 A)
 &rst
  ixpk= 80, nxpk= 20, iat=1198,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  HG1-         78 ILE  HA          3.50    (#     82:20  Unique         2.55, 2.80 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#   78 ILE  QG2          78 ILE  HA          2.80    (#     83:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1204,1205,1206,
 &end
#
#    0 AMB  20-2:85      54 SER  HA          3.50    (#     85:20  Single Ambig)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 899,
 &end
#
#    0 AMB  20-2:86       0 AMB  20-1:86     3.50    (#     86:20  Double Ambig)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1= 893, 894, 895, 410, 411, 432, 433,
 igr2= 856, 402,
 &end
#
#    0 AMB  20-2:87      54 SER  HA          3.50    (#     87:20  Single Ambig)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 740, 741, 742, 744, 745, 746, 415, 416, 417, 419,
       420, 421,
 &end
#
#    7 VAL  MGY          54 SER  HA          3.50    (#     88:20  Unique         2.04, 4.02 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  MGX          54 SER  HA          3.50    (#     89:20  Unique         2.04, 4.02 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   62 SER  HN           62 SER  HA          4.50    (#     90:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 90, nxpk= 20, iat= 974, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:91      62 SER  HA          3.50    (#     91:20  Single Ambig)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 978, 979, 978, 979,
 &end
#
#   62 SER  HN           62 SER  HA          3.50    (#     92:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 92, nxpk= 20, iat= 974, 976, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:94      33 ILE  HA          3.50    (#     94:20  Single Ambig)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 539, 592,
 &end
#
#   34 ALA  HN           33 ILE  HA          4.50    (#     95:20  Unique         3.46, 3.49 A)
 &rst
  ixpk= 95, nxpk= 20, iat= 558, 541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 ALA  HN           33 ILE  HA          3.50    (#     96:20  Unique         2.82, 3.04 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 582, 541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:97      33 ILE  HA          2.80    (#     97:20  Single Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 543, 519, 520,
 &end
#
#    0 AMB  20-2:98      33 ILE  HA          2.80    (#     98:20  Single Ambig)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 586, 587, 588, 549, 550,
 &end
#
#   33 ILE  QG2          33 ILE  HA          3.50    (#     99:20  Unique         3.55, 3.89 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 545, 546, 547,
 &end
#
#   33 ILE  HG1+         33 ILE  HA          3.50    (#    100:20  Unique         2.41, 3.11 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#   78 ILE  QD1          78 ILE  HA          4.50    (#    101:20  Unique         4.38, 4.66 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1211,1212,1213,
 &end
#
#   79 ALA  MB           78 ILE  HA          4.50    (#    102:20  Unique         4.18, 4.98 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1221,1222,1223,
 &end
#
#   78 ILE  HB           78 ILE  HA          3.50    (#    103:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 103, nxpk= 20, iat=1202,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 LEU  HN           25 PRO  HA          2.80    (#    108:20  Unique         2.19, 2.48 A)
 &rst
  ixpk= 108, nxpk= 20, iat= 406, 402, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  HA           25 PRO  HA          3.50    (#    109:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 109, nxpk= 20, iat= 103, 402, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HB            0 AMB  20-1:110    4.50    (#    110:20  Single Ambig)
 &rst
  ixpk= 110, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 856, 402,
 &end
#
#   25 PRO  HB+          25 PRO  HA          2.80    (#    111:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 399, 400,
 &end
#
#    0 AMB  20-2:112      0 AMB  20-1:112    3.50    (#    112:20  Double Ambig)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 410, 411, 396, 397, 124, 125, 410, 411,
 igr2= 402, 856,
 &end
#
#   54 SER  HB-          54 SER  HA          3.50    (#    113:20  Unique         2.26, 2.50 A)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 858, 859,
 &end
#
#   66 TYR  HN           62 SER  HA          4.50    (#    114:20  Unique         2.73, 3.70 A)
 &rst
  ixpk= 114, nxpk= 20, iat=1024, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 VAL  MGX          54 SER  HB+         3.50    (#    116:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2= 858, 859,
 &end
#
#   44 VAL  HN           44 VAL  HA          3.50    (#    117:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 117, nxpk= 20, iat= 696, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 TYR  HA           54 SER  HB+         3.50    (#    119:20  Unique         2.84, 3.70 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 858, 859,
 &end
#
#   47 TYR  HA           54 SER  HB-         3.50    (#    120:20  Unique         2.84, 3.70 A)
 &rst
  ixpk= 120, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 858, 859,
 &end
#
#   46 VAL  MGX          54 SER  HB-         5.50    (#    121:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2= 858, 859,
 &end
#
#    7 VAL  MGX          54 SER  HB-         4.50    (#    122:20  Unique         2.54, 5.31 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 858, 859,
 &end
#
#   45 LYS  HN           44 VAL  HA          2.80    (#    124:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 712, 698, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 HIS  HN           44 VAL  HA          3.50    (#    125:20  Unique         2.75, 3.21 A)
 &rst
  ixpk= 125, nxpk= 20, iat=  29, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 HIS  HB+          44 VAL  HA          4.50    (#    126:20  Unique         2.78, 4.19 A)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#    3 HIS  HB-          44 VAL  HA          4.50    (#    127:20  Unique         2.78, 4.19 A)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#   44 VAL  HB           44 VAL  HA          3.50    (#    128:20  Unique         2.65, 3.00 A)
 &rst
  ixpk= 128, nxpk= 20, iat= 700, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 VAL  MGY          44 VAL  HA          2.80    (#    129:20  Unique         2.08, 3.12 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  MGX          44 VAL  HA          2.80    (#    130:20  Unique         2.08, 3.12 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:131     44 VAL  HA          3.50    (#    131:20  Single Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  83,  84,  85, 552, 553, 554, 719, 720,
 &end
#
#   14 GLN  HN           13 TYR  HA          4.50    (#    134:20  Unique         3.40, 3.49 A)
 &rst
  ixpk= 134, nxpk= 20, iat= 224, 205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HN           13 TYR  HA          5.50    (#    135:20  Unique         4.75, 4.90 A)
 &rst
  ixpk= 135, nxpk= 20, iat= 186, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 HIS  HB+          13 TYR  HA          4.50    (#    136:20  Unique         2.70, 4.12 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 277, 278,
 &end
#
#   13 TYR  HB+          13 TYR  HA          3.50    (#    137:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#   13 TYR  HB-          13 TYR  HA          3.50    (#    138:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#   53 GLN  HE2+          9 VAL  HA          4.50    (#    139:20  Unique         3.59, 4.96 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 849, 850,
 &end
#
#    9 VAL  HN            9 VAL  HA          3.50    (#    140:20  Unique         2.75, 2.76 A)
 &rst
  ixpk= 140, nxpk= 20, iat= 141, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:141      9 VAL  HA          2.80    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 158, 159, 158, 159,
 &end
#
#    9 VAL  HB            9 VAL  HA          2.80    (#    142:20  Unique         2.40, 2.53 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 PRO  HB+           9 VAL  HA          3.50    (#    143:20  Unique         2.44, 2.90 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 399, 400,
 &end
#
#   25 PRO  HB-           9 VAL  HA          4.50    (#    144:20  Unique         2.44, 2.90 A)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 399, 400,
 &end
#
#    9 VAL  MGY           9 VAL  HA          2.80    (#    145:20  Unique         2.13, 3.43 A)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  MGX           9 VAL  HA          3.50    (#    146:20  Unique         2.13, 3.43 A)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   53 GLN  HB-          53 GLN  HA          2.80    (#    147:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1, 839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 841, 842,
 &end
#
#    0 AMB  20-2:148      0 AMB  20-1:148    3.50    (#    148:20  Double Ambig)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 872, 186,
 igr2= 839, 143,
 &end
#
#   53 GLN  HB-          53 GLN  HA          2.80    (#    149:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1, 839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 841, 842,
 &end
#
#    0 AMB  20-2:150      0 AMB  20-1:150    3.50    (#    150:20  Double Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 147, 148, 149, 151, 152, 153, 415, 416, 417, 419,
       420, 421,
 igr2= 143, 839,
 &end
#
#   56 GLN  HB+          53 GLN  HA          2.80    (#    151:20  Unique         2.40, 3.30 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1, 839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 876, 877,
 &end
#
#   26 LEU  HN            7 VAL  HA          4.50    (#    152:20  Unique         2.05, 2.89 A)
 &rst
  ixpk= 152, nxpk= 20, iat= 406, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HN            7 VAL  HA          3.50    (#    153:20  Unique         2.77, 2.81 A)
 &rst
  ixpk= 153, nxpk= 20, iat= 101, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:154      7 VAL  HA          4.50    (#    154:20  Single Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 373, 462,
 &end
#
#   26 LEU  HA            7 VAL  HA          4.50    (#    155:20  Unique         3.42, 3.66 A)
 &rst
  ixpk= 155, nxpk= 20, iat= 408, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HB            7 VAL  HA          2.80    (#    156:20  Unique         2.37, 2.40 A)
 &rst
  ixpk= 156, nxpk= 20, iat= 105, 103, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:157      7 VAL  HA          2.80    (#    157:20  Single Ambig)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
       473, 474,
 &end
#
#    7 VAL  MGX           7 VAL  HA          3.50    (#    158:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    8 ARG  HN            7 VAL  HA          3.50    (#    159:20  Unique         2.60, 3.37 A)
 &rst
  ixpk= 159, nxpk= 20, iat= 117, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 VAL  HN           69 VAL  HA          3.50    (#    160:20  Unique         1.99, 2.79 A)
 &rst
  ixpk= 160, nxpk= 20, iat= 696,1078, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:161     69 VAL  HA          2.80    (#    161:20  Single Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088,
 &end
#
#   44 VAL  MGX          69 VAL  HA          4.50    (#    162:20  Unique         2.07, 5.30 A)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   70 GLU  HN           69 VAL  HA          2.80    (#    163:20  Unique         2.14, 2.24 A)
 &rst
  ixpk= 163, nxpk= 20, iat=1092,1078, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 VAL  HN           69 VAL  HA          3.50    (#    164:20  Unique         2.88, 2.91 A)
 &rst
  ixpk= 164, nxpk= 20, iat=1076,1078, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:165     69 VAL  HA          2.80    (#    165:20  Single Ambig)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1080, 700,
 &end
#
#   11 GLU  HN           11 GLU  HA          3.50    (#    166:20  Unique         2.76, 2.83 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 171, 173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 GLN  HN           11 GLU  HA          5.50    (#    167:20  Unique         3.84, 4.26 A)
 &rst
  ixpk= 167, nxpk= 20, iat= 224, 173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:168      0 AMB  20-1:168    2.80    (#    168:20  Double Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 928, 929, 178, 179, 178, 179,
 igr2= 923, 173,
 &end
#
#    0 AMB  20-2:169     11 GLU  HA          2.80    (#    169:20  Single Ambig)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 175, 176, 175, 176,
 &end
#
#   30 LYS  HN           30 LYS  HA          2.80    (#    170:20  Unique         2.71, 2.82 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 478, 480, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 GLU  HN           30 LYS  HA          3.50    (#    171:20  Unique         3.50, 3.54 A)
 &rst
  ixpk= 171, nxpk= 20, iat= 500, 480, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 MET  ME           30 LYS  HA          3.50    (#    172:20  Unique         1.99, 3.61 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1011,1012,1013,
 &end
#
#    0 AMB  20-2:173     30 LYS  HA          4.50    (#    173:20  Single Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 466, 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:174      0 AMB  20-1:174    2.80    (#    174:20  Double Ambig)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 482, 483, 959, 960,
 igr2= 480, 901,
 &end
#
#   30 LYS  HG-          30 LYS  HA          2.80    (#    175:20  Unique         2.03, 2.66 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 485, 486,
 &end
#
#    0 AMB  20-2:176     58 LYS  HA          3.50    (#    176:20  Single Ambig)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 899, 955,
 &end
#
#   59 GLU  HN           58 LYS  HA          4.50    (#    177:20  Unique         3.44, 3.49 A)
 &rst
  ixpk= 177, nxpk= 20, iat= 921, 901, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 LYS  HG+          30 LYS  HA          2.80    (#    178:20  Unique         2.03, 2.66 A)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 485, 486,
 &end
#
#   58 LYS  HG-          58 LYS  HA          2.80    (#    179:20  Unique         2.02, 2.99 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 906, 907,
 &end
#
#   33 ILE  QG2          30 LYS  HA          3.50    (#    180:20  Unique         2.87, 3.94 A)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 545, 546, 547,
 &end
#
#   61 LEU  MDY           0 AMB  20-1:181    3.50    (#    181:20  Single Ambig)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 480, 901,
 &end
#
#   66 TYR  HN           66 TYR  HA          3.50    (#    182:20  Unique         2.76, 2.80 A)
 &rst
  ixpk= 182, nxpk= 20, iat=1024,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 THR  HN           66 TYR  HA          2.80    (#    183:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 183, nxpk= 20, iat=1045,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 TYR  HD           66 TYR  HA          5.50    (#    184:20  Unique         2.07, 3.46 A)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1032,1041,
 &end
#
#   66 TYR  HB+          66 TYR  HA          3.50    (#    185:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1028,1029,
 &end
#
#   66 TYR  HB-          66 TYR  HA          3.50    (#    186:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 186, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1028,1029,
 &end
#
#   40 LYS  HB+          66 TYR  HA          3.50    (#    187:20  Unique         2.24, 3.76 A)
 &rst
  ixpk= 187, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#   40 LYS  HB-          66 TYR  HA          3.50    (#    188:20  Unique         2.24, 3.76 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#   67 THR  MG2          66 TYR  HA          3.50    (#    189:20  Unique         3.31, 4.53 A)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1051,1052,1053,
 &end
#
#    0 AMB  20-2:190     66 TYR  HA          4.50    (#    190:20  Single Ambig)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 702, 703, 704, 706, 707, 708,
 &end
#
#   40 LYS  HA           66 TYR  HA          4.50    (#    191:20  Unique         2.77, 3.26 A)
 &rst
  ixpk= 191, nxpk= 20, iat= 636,1026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 VAL  HN           83 VAL  HA          3.50    (#    192:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 192, nxpk= 20, iat=1280,1282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 LYS  HN           83 VAL  HA          2.80    (#    193:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 193, nxpk= 20, iat=1296,1282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:194     83 VAL  HA          2.80    (#    194:20  Single Ambig)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1284,1303,1304,1303,1304,
 &end
#
#   83 VAL  MGY          83 VAL  HA          3.50    (#    195:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  MGX          83 VAL  HA          3.50    (#    196:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:197      0 AMB  20-1:197    3.50    (#    197:20  Double Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 921, 186,
 igr2= 923, 173,
 &end
#
#    0 AMB  20-2:198      0 AMB  20-1:198    3.50    (#    198:20  Double Ambig)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 928, 929, 231, 232,
 igr2= 923, 173,
 &end
#
#    0 AMB  20-2:199     59 GLU  HA          2.80    (#    199:20  Single Ambig)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1, 923, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 925, 926, 925, 926,
 &end
#
#   71 ASN  HD2+         58 LYS  HA          4.50    (#    200:20  Unique         4.62, 5.23 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1116,1117,
 &end
#
#   22 ILE  HN           22 ILE  HA          3.50    (#    201:20  Unique         2.85, 2.93 A)
 &rst
  ixpk= 201, nxpk= 20, iat= 340, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 ASN  HN           22 ILE  HA          3.50    (#    202:20  Unique         2.29, 2.75 A)
 &rst
  ixpk= 202, nxpk= 20, iat= 359, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HB           22 ILE  HA          3.50    (#    203:20  Unique         2.99, 3.01 A)
 &rst
  ixpk= 203, nxpk= 20, iat= 344, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1-         22 ILE  HA          4.50    (#    204:20  Unique         2.63, 3.42 A)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351,
 &end
#
#   22 ILE  QG2          22 ILE  HA          2.80    (#    205:20  Unique         2.19, 2.98 A)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 346, 347, 348,
 &end
#
#   22 ILE  HG1+         22 ILE  HA          3.50    (#    206:20  Unique         2.63, 3.42 A)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 350, 351,
 &end
#
#    0 AMB  20-2:207     59 GLU  HA          5.50    (#    207:20  Single Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1, 923, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 884, 885,1000,
 &end
#
#    0 AMB  20-2:208     52 ARG  HA          4.50    (#    208:20  Single Ambig)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 823, 824, 823, 824,
 &end
#
#    0 AMB  20-2:209     52 ARG  HA          2.80    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 817, 818, 817, 818,
 &end
#
#   52 ARG  HG+          52 ARG  HA          3.50    (#    210:20  Unique         2.44, 3.38 A)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 820, 821,
 &end
#
#   63 GLU  HN           63 GLU  HA          2.80    (#    211:20  Unique         2.78, 2.81 A)
 &rst
  ixpk= 211, nxpk= 20, iat= 985, 987, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   63 GLU  HG+          63 GLU  HA          3.50    (#    212:20  Unique         2.05, 3.01 A)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 992, 993,
 &end
#
#    0 AMB  20-2:213     63 GLU  HA          2.80    (#    213:20  Single Ambig)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:217     56 GLN  HA          4.50    (#    217:20  Single Ambig)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 889, 899,
 &end
#
#    0 AMB  20-2:218      0 AMB  20-1:218    3.50    (#    218:20  Double Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 872, 186,
 igr2= 874, 188,
 &end
#
#    0 AMB  20-2:219     56 GLN  HA          2.80    (#    219:20  Single Ambig)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 879, 880, 876, 877,
 &end
#
#    0 AMB  20-2:220     56 GLN  HA          2.80    (#    220:20  Single Ambig)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 876, 877, 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:221     63 GLU  HA          3.50    (#    221:20  Single Ambig)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1000,1017,
 &end
#
#   85 GLY  HN           15 GLN  HA          3.50    (#    222:20  Unique         2.65, 3.27 A)
 &rst
  ixpk= 222, nxpk= 20, iat=1318, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLU  HN           15 GLN  HA          3.50    (#    223:20  Unique         2.25, 3.14 A)
 &rst
  ixpk= 223, nxpk= 20, iat= 258, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLN  HN           15 GLN  HA          3.50    (#    224:20  Unique         2.76, 2.85 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 241, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:225     15 GLN  HA          2.80    (#    225:20  Single Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 245, 246, 245, 246,
 &end
#
#   12 GLN  HN           12 GLN  HA          3.50    (#    230:20  Unique         2.83, 2.89 A)
 &rst
  ixpk= 230, nxpk= 20, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:231     12 GLN  HA          4.50    (#    231:20  Single Ambig)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 203, 258,
 &end
#
#   15 GLN  HN           12 GLN  HA          4.50    (#    232:20  Unique         2.93, 3.79 A)
 &rst
  ixpk= 232, nxpk= 20, iat= 241, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HG+          12 GLN  HA          2.80    (#    233:20  Unique         2.15, 2.91 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 193, 194,
 &end
#
#    0 AMB  20-2:234     12 GLN  HA          2.80    (#    234:20  Single Ambig)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 248, 249, 193, 194,
 &end
#
#    0 AMB  20-2:235     12 GLN  HA          2.80    (#    235:20  Single Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 245, 246, 245, 246,
 &end
#
#   27 LYS  HN           27 LYS  HA          2.80    (#    236:20  Unique         2.69, 2.82 A)
 &rst
  ixpk= 236, nxpk= 20, iat= 425, 427, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:237      0 AMB  20-1:237    2.80    (#    237:20  Double Ambig)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 429, 430, 596, 410, 411,
 igr2= 427, 594,
 &end
#
#    0 AMB  20-2:238      0 AMB  20-1:238    3.50    (#    238:20  Double Ambig)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
 igr1= 432, 433, 432, 433, 598, 599, 600, 602, 603, 604,
       377,
 igr2= 427, 594, 375,
 &end
#
#    0 AMB  20-2:239      0 AMB  20-1:239    3.50    (#    239:20  Double Ambig)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 592, 447,
 igr2= 594, 427, 375,
 &end
#
#   38 PRO  HD+          37 VAL  HA          2.80    (#    240:20  Unique         2.05, 2.55 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 609, 610,
 &end
#
#   25 PRO  HD+          24 ILE  HA          2.80    (#    241:20  Unique         1.91, 2.24 A)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 393, 394,
 &end
#
#    0 AMB  20-2:242      0 AMB  20-1:242    2.80    (#    242:20  Double Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 393, 394, 609, 610,
 igr2= 375, 594,
 &end
#
#    0 AMB  20-2:243     24 ILE  HA          3.50    (#    243:20  Single Ambig)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 383, 384, 468, 469, 470, 472, 473, 474,
 &end
#
#   24 ILE  QG2          24 ILE  HA          2.80    (#    244:20  Unique         1.97, 2.89 A)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 379, 380, 381,
 &end
#
#   37 VAL  MGX          37 VAL  HA          2.80    (#    245:20  Unique         2.25, 3.11 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   15 GLN  HG+          15 GLN  HA          3.50    (#    246:20  Unique         2.08, 2.92 A)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 248, 249,
 &end
#
#   15 GLN  HG-          15 GLN  HA          3.50    (#    247:20  Unique         2.08, 2.92 A)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 248, 249,
 &end
#
#   76 LYS  HN           76 LYS  HA          3.50    (#    249:20  Unique         2.76, 2.86 A)
 &rst
  ixpk= 249, nxpk= 20, iat=1164,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ASP  HN           76 LYS  HA          4.50    (#    250:20  Unique         2.39, 3.18 A)
 &rst
  ixpk= 250, nxpk= 20, iat=1186,1166, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 LYS  HB+          76 LYS  HA          2.80    (#    251:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1168,1169,
 &end
#
#    0 AMB  20-2:252     76 LYS  HA          3.50    (#    252:20  Single Ambig)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1171,1172,1171,1172,
 &end
#
#   27 LYS  HN           26 LEU  HA          5.50    (#    253:20  Unique         3.28, 3.44 A)
 &rst
  ixpk= 253, nxpk= 20, iat= 425, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HN           26 LEU  HA          3.50    (#    254:20  Unique         2.28, 2.60 A)
 &rst
  ixpk= 254, nxpk= 20, iat= 406, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HN           26 LEU  HA          3.50    (#    255:20  Unique         3.07, 3.39 A)
 &rst
  ixpk= 255, nxpk= 20, iat= 462, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HB           26 LEU  HA          3.50    (#    256:20  Unique         2.73, 3.14 A)
 &rst
  ixpk= 256, nxpk= 20, iat= 105, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HB           26 LEU  HA          3.50    (#    257:20  Unique         1.98, 2.66 A)
 &rst
  ixpk= 257, nxpk= 20, iat= 466, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 LEU  HB+          26 LEU  HA          2.80    (#    258:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 410, 411,
 &end
#
#   26 LEU  HG           26 LEU  HA          3.50    (#    259:20  Unique         2.26, 2.86 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 413, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:260     26 LEU  HA          2.80    (#    260:20  Single Ambig)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 410, 411, 893, 894, 895,
 &end
#
#    0 AMB  20-2:261     26 LEU  HA          2.80    (#    261:20  Single Ambig)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474,
 &end
#
#    0 AMB  20-2:262      0 AMB  20-1:262    3.50    (#    262:20  Double Ambig)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 955, 592,
 igr2= 957, 594,
 &end
#
#   39 ASP  HN           37 VAL  HA          3.50    (#    263:20  Unique         3.09, 3.16 A)
 &rst
  ixpk= 263, nxpk= 20, iat= 622, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:264     24 ILE  HA          3.50    (#    264:20  Single Ambig)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 373, 462,
 &end
#
#   19 GLN  HB+          19 GLN  HA          2.80    (#    265:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 265, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#   78 ILE  HG1-         75 LEU  HA          3.50    (#    266:20  Unique         2.40, 3.90 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#   75 LEU  HN           75 LEU  HA          3.50    (#    267:20  Unique         2.76, 2.87 A)
 &rst
  ixpk= 267, nxpk= 20, iat=1145,1147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 LEU  HB+          75 LEU  HA          3.50    (#    268:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#    0 AMB  20-2:269     75 LEU  HA          3.50    (#    269:20  Single Ambig)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1154,1155,1156,1158,1159,1160,1208,1209,
 &end
#
#   75 LEU  MDY          75 LEU  HA          2.80    (#    270:20  Unique         2.00, 3.88 A)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1154,1155,1156,1158,1159,1160,
 &end
#
#   78 ILE  QD1          75 LEU  HA          2.80    (#    271:20  Unique         2.01, 3.25 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1211,1212,1213,
 &end
#
#    0 AMB  20-2:272     46 VAL  HA          2.80    (#    272:20  Single Ambig)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 750, 734,
 &end
#
#    0 AMB  20-2:273     46 VAL  HA          2.80    (#    273:20  Single Ambig)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 738,  74,
 &end
#
#   46 VAL  MGX          46 VAL  HA          3.50    (#    274:20  Unique         2.20, 3.45 A)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:275     46 VAL  HA          2.80    (#    275:20  Single Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
       112, 113,
 &end
#
#    0 AMB  20-2:276     46 VAL  HA          4.50    (#    276:20  Single Ambig)
 &rst
  ixpk= 276, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 716, 717,  83,  84,  85, 719, 720,
 &end
#
#    5 ILE  HN           46 VAL  HA          3.50    (#    277:20  Unique         3.10, 3.44 A)
 &rst
  ixpk= 277, nxpk= 20, iat=  70, 736, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:278     48 CYS  HA          5.50    (#    278:20  Single Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 127, 128, 786, 787,
 &end
#
#   48 CYS  HB-          48 CYS  HA          4.50    (#    279:20  Unique         2.34, 2.50 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 775, 776,
 &end
#
#    8 ARG  HG-          48 CYS  HA          3.50    (#    280:20  Unique         1.98, 3.24 A)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 124, 125,
 &end
#
#   48 CYS  HB+          48 CYS  HA          4.50    (#    281:20  Unique         2.34, 2.50 A)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 775, 776,
 &end
#
#   32 ARG  HN           31 GLU  HA          3.50    (#    282:20  Unique         3.19, 3.26 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 515, 502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLU  HN           31 GLU  HA          3.50    (#    283:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 283, nxpk= 20, iat= 500, 502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:284     31 GLU  HA          2.80    (#    284:20  Single Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 507, 508, 507, 508,
 &end
#
#    0 AMB  20-2:285     31 GLU  HA          2.80    (#    285:20  Single Ambig)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:286     31 GLU  HA          5.50    (#    286:20  Single Ambig)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 488, 489, 488, 489,
 &end
#
#   64 MET  HN           61 LEU  HA          3.50    (#    287:20  Unique         3.34, 3.47 A)
 &rst
  ixpk= 287, nxpk= 20, iat=1000, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:289     61 LEU  HA          3.50    (#    289:20  Single Ambig)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1007,1008,1004,1005,
 &end
#
#   64 MET  HB-          61 LEU  HA          2.80    (#    290:20  Unique         2.02, 3.26 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1004,1005,
 &end
#
#    0 AMB  20-2:291      0 AMB  20-1:291    2.80    (#    291:20  Double Ambig)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 962, 413, 485, 486, 485, 486,
 igr2= 957, 427,
 &end
#
#   61 LEU  HB-          61 LEU  HA          2.80    (#    292:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 959, 960,
 &end
#
#   61 LEU  MDX          61 LEU  HA          2.80    (#    293:20  Unique         2.46, 3.98 A)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:294     19 GLN  HA          4.50    (#    294:20  Single Ambig)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 330,1280,
 &end
#
#   19 GLN  HB-          19 GLN  HA          2.80    (#    296:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#   83 VAL  MGY          19 GLN  HA          3.50    (#    297:20  Unique         2.12, 4.62 A)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   20 GLY  HN           19 GLN  HA          3.50    (#    298:20  Unique         2.14, 2.56 A)
 &rst
  ixpk= 298, nxpk= 20, iat= 323, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLN  HN           19 GLN  HA          3.50    (#    299:20  Unique         2.76, 2.80 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLN  HG-          19 GLN  HA          2.80    (#    300:20  Unique         2.09, 2.80 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 313, 314,
 &end
#
#   14 GLN  HN           14 GLN  HA          3.50    (#    301:20  Unique         2.76, 2.87 A)
 &rst
  ixpk= 301, nxpk= 20, iat= 224, 226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLN  HN           14 GLN  HA          4.50    (#    302:20  Unique         2.75, 3.17 A)
 &rst
  ixpk= 302, nxpk= 20, iat= 241, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:304     14 GLN  HA          3.50    (#    304:20  Single Ambig)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:305     14 GLN  HA          2.80    (#    305:20  Single Ambig)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 228, 229, 228, 229,
 &end
#
#   41 ASN  HN           40 LYS  HA          3.50    (#    306:20  Unique         2.74, 3.10 A)
 &rst
  ixpk= 306, nxpk= 20, iat= 656, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 LYS  HN           40 LYS  HA          3.50    (#    307:20  Unique         2.27, 2.46 A)
 &rst
  ixpk= 307, nxpk= 20, iat= 634, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  HN           75 LEU  HA          4.50    (#    308:20  Unique         3.34, 3.92 A)
 &rst
  ixpk= 308, nxpk= 20, iat=1198,1147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HE           40 LYS  HA          3.50    (#    309:20  Unique         2.18, 4.44 A)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1034,1039,
 &end
#
#   66 TYR  HA           40 LYS  HA          3.50    (#    311:20  Unique         2.77, 3.26 A)
 &rst
  ixpk= 311, nxpk= 20, iat=1026, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:312      0 AMB  20-1:312    3.50    (#    312:20  Double Ambig)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 638, 639,1268,1269,
 igr2= 636,1147,
 &end
#
#    0 AMB  20-2:313     40 LYS  HA          3.50    (#    313:20  Single Ambig)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 644, 645, 641, 642,
 &end
#
#   40 LYS  HG-          40 LYS  HA          2.80    (#    314:20  Unique         2.13, 2.86 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 641, 642,
 &end
#
#   40 LYS  HB+          40 LYS  HA          2.80    (#    315:20  Unique         2.43, 2.78 A)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:316     47 TYR  HA          3.50    (#    316:20  Single Ambig)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 750,1138,
 &end
#
#   54 SER  HB+          47 TYR  HA          3.50    (#    317:20  Unique         2.84, 3.70 A)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 858, 859,
 &end
#
#   47 TYR  HB+          47 TYR  HA          2.80    (#    318:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 754, 755,
 &end
#
#    0 AMB  20-2:319     47 TYR  HA          3.50    (#    319:20  Single Ambig)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 858, 859,1133,1134,
 &end
#
#   47 TYR  HB-          47 TYR  HA          3.50    (#    320:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 754, 755,
 &end
#
#   72 ALA  MB           47 TYR  HA          5.50    (#    321:20  Unique         2.07, 3.68 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1125,1126,1127,
 &end
#
#   32 ARG  HN           32 ARG  HA          3.50    (#    322:20  Unique         2.75, 2.91 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 515, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:323     32 ARG  HA          3.50    (#    323:20  Single Ambig)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 525, 526, 525, 526,
 &end
#
#   28 GLU  HG+          32 ARG  HA          5.50    (#    324:20  Unique         4.95, 6.34 A)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 454, 455,
 &end
#
#    0 AMB  20-2:325     32 ARG  HA          2.80    (#    325:20  Single Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 522, 523, 519, 520,
 &end
#
#    0 AMB  20-2:326     32 ARG  HA          5.50    (#    326:20  Single Ambig)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 574, 575, 576, 549, 550,
 &end
#
#    0 AMB  20-2:327     32 ARG  HA          5.50    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   33 ILE  HN           32 ARG  HA          3.50    (#    328:20  Unique         3.52, 3.54 A)
 &rst
  ixpk= 328, nxpk= 20, iat= 539, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ARG  HG-          32 ARG  HA          2.80    (#    329:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 522, 523,
 &end
#
#    5 ILE  HN            4 TRP  HA          2.80    (#    330:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 330, nxpk= 20, iat=  70,  48, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 TRP  HN            4 TRP  HA          3.50    (#    331:20  Unique         2.88, 2.92 A)
 &rst
  ixpk= 331, nxpk= 20, iat=  46,  48, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 LYS  HN            4 TRP  HA          3.50    (#    332:20  Unique         3.21, 3.48 A)
 &rst
  ixpk= 332, nxpk= 20, iat= 712,  48, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 TRP  HB+           4 TRP  HA          2.80    (#    334:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  50,  51,
 &end
#
#    0 AMB  20-2:335      4 TRP  HA          4.50    (#    335:20  Single Ambig)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 334, 335, 336,  74,  18,  19,
 &end
#
#    0 AMB  20-2:336      4 TRP  HA          5.50    (#    336:20  Single Ambig)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:337      4 TRP  HA          3.50    (#    337:20  Single Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 719, 720, 702, 703, 704, 706, 707, 708,
 &end
#
#   45 LYS  HB+           4 TRP  HA          2.80    (#    338:20  Unique         1.97, 2.78 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 716, 717,
 &end
#
#   75 LEU  HB+          49 ASN  HA          5.50    (#    339:20  Unique         2.17, 4.39 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1149,1150,
 &end
#
#   49 ASN  HB+          49 ASN  HA          3.50    (#    340:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 786, 787,
 &end
#
#   49 ASN  HB-          49 ASN  HA          3.50    (#    341:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 786, 787,
 &end
#
#   75 LEU  HB-          49 ASN  HA          4.50    (#    342:20  Unique         2.17, 4.39 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1149,1150,
 &end
#
#   17 HIS  HN           16 GLU  HA          3.50    (#    343:20  Unique         2.14, 2.25 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 273, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLU  HN           16 GLU  HA          4.50    (#    344:20  Unique         2.27, 2.64 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HB+          16 GLU  HA          3.50    (#    345:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 262, 263,
 &end
#
#   16 GLU  HG+          16 GLU  HA          3.50    (#    346:20  Unique         2.13, 3.04 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 265, 266,
 &end
#
#    0 AMB  20-2:347     16 GLU  HA          3.50    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 265, 266, 262, 263,
 &end
#
#    0 AMB  20-2:348     16 GLU  HA          4.50    (#    348:20  Single Ambig)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1303,1304,1303,1304,1262,1263,
 &end
#
#   64 MET  HG+          64 MET  HA          3.50    (#    349:20  Unique         2.03, 2.76 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HA          3.50    (#    350:20  Unique         2.52, 2.82 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1004,1005,
 &end
#
#   64 MET  ME           64 MET  HA          5.50    (#    351:20  Unique         4.26, 5.32 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1011,1012,1013,
 &end
#
#    0 AMB  20-2:352     64 MET  HA          3.50    (#    352:20  Single Ambig)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1000,1017,
 &end
#
#    0 AMB  20-2:353     64 MET  HA          2.80    (#    353:20  Single Ambig)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1007,1008,1004,1005,
 &end
#
#    0 AMB  20-2:354      8 ARG  HA          3.50    (#    354:20  Single Ambig)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 849, 850, 117,
 &end
#
#    9 VAL  HN            8 ARG  HA          2.80    (#    355:20  Unique         2.24, 2.31 A)
 &rst
  ixpk= 355, nxpk= 20, iat= 141, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    8 ARG  HB+           8 ARG  HA          2.80    (#    356:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 121, 122,
 &end
#
#    8 ARG  HB-           8 ARG  HA          2.80    (#    357:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 121, 122,
 &end
#
#    0 AMB  20-2:358      8 ARG  HA          3.50    (#    358:20  Single Ambig)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 124, 125, 841, 842,
 &end
#
#    9 VAL  MGX           8 ARG  HA          5.50    (#    359:20  Unique         3.86, 5.04 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:360     28 GLU  HA          3.50    (#    360:20  Single Ambig)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 447, 478,
 &end
#
#   29 VAL  HN           28 GLU  HA          3.50    (#    361:20  Unique         3.41, 3.49 A)
 &rst
  ixpk= 361, nxpk= 20, iat= 462, 449, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLU  HN           28 GLU  HA          4.50    (#    362:20  Unique         3.20, 3.39 A)
 &rst
  ixpk= 362, nxpk= 20, iat= 500, 449, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:363     28 GLU  HA          2.80    (#    363:20  Single Ambig)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 454, 455, 451, 452,
 &end
#
#    0 AMB  20-2:364     28 GLU  HA          2.80    (#    364:20  Single Ambig)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 454, 455, 504, 505,
 &end
#
#    0 AMB  20-2:365     28 GLU  HA          3.50    (#    365:20  Single Ambig)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 451, 452, 522, 523, 519, 520,
 &end
#
#   85 GLY  HN           84 LYS  HA          2.80    (#    366:20  Unique         2.15, 2.34 A)
 &rst
  ixpk= 366, nxpk= 20, iat=1318,1298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 GLU  HB+          84 LYS  HA          4.50    (#    367:20  Unique         2.44, 3.88 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 262, 263,
 &end
#
#    0 AMB  20-2:368     84 LYS  HA          2.80    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 265, 266,1300,1301,
 &end
#
#    0 AMB  20-2:369     84 LYS  HA          3.50    (#    369:20  Single Ambig)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:370     84 LYS  HA          3.50    (#    370:20  Single Ambig)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1296, 273,
 &end
#
#    0 AMB  20-2:371     84 LYS  HA          3.50    (#    371:20  Single Ambig)
 &rst
  ixpk= 371, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1306,1307,1306,1307,1300,1301,
 &end
#
#    1 ALA  HA           42 ASP  HA          3.50    (#    372:20  Unique         2.00, 2.61 A)
 &rst
  ixpk= 372, nxpk= 20, iat=   6, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 THR  HN           42 ASP  HA          2.80    (#    373:20  Unique         2.15, 2.36 A)
 &rst
  ixpk= 373, nxpk= 20, iat= 682, 672, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 ASP  HN           42 ASP  HA          3.50    (#    374:20  Unique         2.76, 2.85 A)
 &rst
  ixpk= 374, nxpk= 20, iat= 670, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:375     42 ASP  HA          3.50    (#    375:20  Single Ambig)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 674, 675,1063,1064,
 &end
#
#   42 ASP  HB-          42 ASP  HA          3.50    (#    376:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#    0 AMB  20-2:378     57 ALA  HA          3.50    (#    378:20  Single Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 889, 955, 899,
 &end
#
#   60 ILE  HN           57 ALA  HA          3.50    (#    379:20  Unique         2.99, 3.24 A)
 &rst
  ixpk= 379, nxpk= 20, iat= 936, 891, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:380     57 ALA  HA          2.80    (#    380:20  Single Ambig)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 940, 946, 947,
 &end
#
#    0 AMB  20-2:381     57 ALA  HA          5.50    (#    381:20  Single Ambig)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 962, 413,
 &end
#
#   57 ALA  MB           57 ALA  HA          2.80    (#    382:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 893, 894, 895,
 &end
#
#    0 AMB  20-2:383     57 ALA  HA          2.80    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 415, 416, 417, 419, 420, 421, 949, 950, 951,
 &end
#
#   43 THR  MG2           2 GLU  HA          3.50    (#    384:20  Unique         3.28, 4.25 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 688, 689, 690,
 &end
#
#    3 HIS  HB+           3 HIS  HA          2.80    (#    385:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  31, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  33,  34,
 &end
#
#    3 HIS  HB-           3 HIS  HA          3.50    (#    386:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  31, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  33,  34,
 &end
#
#   34 ALA  HN           34 ALA  HA          3.50    (#    387:20  Unique         2.76, 2.81 A)
 &rst
  ixpk= 387, nxpk= 20, iat= 558, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 PRO  HA           34 ALA  HA          3.50    (#    388:20  Unique         3.14, 3.45 A)
 &rst
  ixpk= 388, nxpk= 20, iat= 618, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  MB           34 ALA  HA          2.80    (#    389:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 562, 563, 564,
 &end
#
#   33 ILE  QG2          34 ALA  HA          3.50    (#    390:20  Unique         3.18, 4.15 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 545, 546, 547,
 &end
#
#    0 AMB  20-2:391     34 ALA  HA          4.50    (#    391:20  Single Ambig)
 &rst
  ixpk= 391, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 592, 539,
 &end
#
#   35 THR  HN           34 ALA  HA          3.50    (#    392:20  Unique         3.38, 3.47 A)
 &rst
  ixpk= 392, nxpk= 20, iat= 568, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:393      2 GLU  HA          2.80    (#    393:20  Single Ambig)
 &rst
  ixpk= 393, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  29,  14,
 &end
#
#   43 THR  HB            2 GLU  HA          2.80    (#    394:20  Unique         2.00, 2.05 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 686,  16, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:395      2 GLU  HA          5.50    (#    395:20  Single Ambig)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 674, 675,  33,  34,
 &end
#
#    0 AMB  20-2:396      2 GLU  HA          3.50    (#    396:20  Single Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:397      2 GLU  HA          2.80    (#    397:20  Single Ambig)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  18,  19,  18,  19,
 &end
#
#   69 VAL  HN           68 HIS  HA          2.80    (#    398:20  Unique         2.15, 2.49 A)
 &rst
  ixpk= 398, nxpk= 20, iat=1076,1061, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 HIS  HB+          68 HIS  HA          2.80    (#    399:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1063,1064,
 &end
#
#   68 HIS  HB-          68 HIS  HA          3.50    (#    400:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1063,1064,
 &end
#
#   45 LYS  HN           45 LYS  HA          3.50    (#    401:20  Unique         2.84, 2.88 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 712, 714, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:402      0 AMB  20-1:402    2.80    (#    402:20  Double Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 734,  29,
 igr2= 714,  31,
 &end
#
#   70 GLU  HB+          45 LYS  HA          3.50    (#    403:20  Unique         2.93, 4.05 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1096,1097,
 &end
#
#   70 GLU  HB-          45 LYS  HA          3.50    (#    404:20  Unique         2.93, 4.05 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1096,1097,
 &end
#
#   72 ALA  MB           45 LYS  HA          4.50    (#    405:20  Unique         2.80, 4.81 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1125,1126,1127,
 &end
#
#    0 AMB  20-2:406      0 AMB  20-1:406    3.50    (#    406:20  Double Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 740, 741, 742, 744, 745, 746, 702, 703, 704, 706,
       707, 708,1082,1083,1084,1086,1087,1088,1082,1083,
      1084,1086,1087,1088, 353, 354, 355,
 igr2= 714,  31,
 &end
#
#   45 LYS  HG+          45 LYS  HA          2.80    (#    407:20  Unique         2.05, 3.00 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 719, 720,
 &end
#
#    0 AMB  20-2:408     45 LYS  HA          2.80    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 719, 720, 716, 717,
 &end
#
#   68 HIS  HN           68 HIS  HA          3.50    (#    409:20  Unique         2.80, 2.89 A)
 &rst
  ixpk= 409, nxpk= 20, iat=1059,1061, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:410     68 HIS  HA          4.50    (#    410:20  Single Ambig)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   17 HIS  HN           17 HIS  HA          3.50    (#    411:20  Unique         2.81, 2.90 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 273, 275, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 VAL  HN           17 HIS  HA          3.50    (#    412:20  Unique         2.17, 2.45 A)
 &rst
  ixpk= 412, nxpk= 20, iat= 290, 275, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 HIS  HB-          17 HIS  HA          3.50    (#    413:20  Unique         2.36, 2.47 A)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1, 275, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 277, 278,
 &end
#
#    0 AMB  20-2:414     17 HIS  HA          4.50    (#    414:20  Single Ambig)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1, 275, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1154,1155,1156,1158,1159,1160,1265,1266,
 &end
#
#   70 GLU  HN           70 GLU  HA          3.50    (#    415:20  Unique         2.83, 2.91 A)
 &rst
  ixpk= 415, nxpk= 20, iat=1092,1094, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 ASN  HN           70 GLU  HA          2.80    (#    416:20  Unique         2.16, 2.33 A)
 &rst
  ixpk= 416, nxpk= 20, iat=1107,1094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:417     70 GLU  HA          3.50    (#    417:20  Single Ambig)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 912, 913, 912, 913,
 &end
#
#    0 AMB  20-2:418     70 GLU  HA          2.80    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1099,1100,1099,1100,
 &end
#
#   70 GLU  HB+          70 GLU  HA          2.80    (#    419:20  Unique         2.52, 2.82 A)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:420     70 GLU  HA          3.50    (#    420:20  Single Ambig)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 909, 910,1096,1097,
 &end
#
#   58 LYS  HD-          70 GLU  HA          4.50    (#    421:20  Unique         2.36, 3.51 A)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 909, 910,
 &end
#
#   37 VAL  HN           36 ALA  HA          3.50    (#    422:20  Unique         3.45, 3.53 A)
 &rst
  ixpk= 422, nxpk= 20, iat= 592, 584, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ALA  HN           36 ALA  HA          3.50    (#    423:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 423, nxpk= 20, iat= 582, 584, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ALA  MB           36 ALA  HA          2.80    (#    424:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 586, 587, 588,
 &end
#
#    0 AMB  20-2:425     36 ALA  HA          5.50    (#    425:20  Single Ambig)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 353, 354, 355, 346, 347, 348,
 &end
#
#   41 ASN  HN           41 ASN  HA          3.50    (#    426:20  Unique         2.79, 2.91 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 656, 658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 ASP  HN           41 ASN  HA          4.50    (#    427:20  Unique         2.95, 3.39 A)
 &rst
  ixpk= 427, nxpk= 20, iat= 670, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASN  HB+          41 ASN  HA          2.80    (#    428:20  Unique         2.32, 2.68 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 660, 661,
 &end
#
#   41 ASN  HB-          41 ASN  HA          2.80    (#    429:20  Unique         2.32, 2.68 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 660, 661,
 &end
#
#   67 THR  MG2          41 ASN  HA          5.50    (#    430:20  Unique         4.26, 6.20 A)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1051,1052,1053,
 &end
#
#   41 ASN  HN           39 ASP  HA          4.50    (#    431:20  Unique         3.43, 4.02 A)
 &rst
  ixpk= 431, nxpk= 20, iat= 656, 624, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 ASP  HN           39 ASP  HA          3.50    (#    432:20  Unique         2.75, 2.81 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 622, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 LYS  HN           39 ASP  HA          3.50    (#    433:20  Unique         2.16, 3.04 A)
 &rst
  ixpk= 433, nxpk= 20, iat= 634, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 ASP  HB+          39 ASP  HA          3.50    (#    434:20  Unique         2.40, 2.82 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 626, 627,
 &end
#
#   39 ASP  HB-          39 ASP  HA          2.80    (#    435:20  Unique         2.40, 2.82 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 626, 627,
 &end
#
#    0 AMB  20-2:436     39 ASP  HA          4.50    (#    436:20  Single Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 641, 642, 644, 645,
 &end
#
#   72 ALA  MB           72 ALA  HA          2.80    (#    438:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 438, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1125,1126,1127,
 &end
#
#   72 ALA  HN           72 ALA  HA          3.50    (#    439:20  Unique         2.76, 2.88 A)
 &rst
  ixpk= 439, nxpk= 20, iat=1121,1123, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 GLY  HN           72 ALA  HA          4.50    (#    440:20  Unique         3.03, 3.50 A)
 &rst
  ixpk= 440, nxpk= 20, iat=1131,1123, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 ALA  HN           21 ALA  HA          3.50    (#    441:20  Unique         2.28, 2.71 A)
 &rst
  ixpk= 441, nxpk= 20, iat= 330, 332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 ALA  MB           21 ALA  HA          2.80    (#    442:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 334, 335, 336,
 &end
#
#    4 TRP  HN           21 ALA  HA          4.50    (#    445:20  Unique         3.18, 3.88 A)
 &rst
  ixpk= 445, nxpk= 20, iat=  46, 332, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ILE  HN           21 ALA  HA          2.80    (#    446:20  Unique         2.25, 2.52 A)
 &rst
  ixpk= 446, nxpk= 20, iat= 340, 332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 TRP  HB+          21 ALA  HA          2.80    (#    447:20  Unique         2.15, 3.05 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  50,  51,
 &end
#
#    2 GLU  HN            1 ALA  HA          3.50    (#    448:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 448, nxpk= 20, iat=  14,   6, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    1 ALA  MB            1 ALA  HA          2.80    (#    450:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=   8,   9,  10,
 &end
#
#   46 VAL  HN           71 ASN  HA          4.50    (#    451:20  Unique         2.80, 3.45 A)
 &rst
  ixpk= 451, nxpk= 20, iat= 734,1109, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 MET  HB-          80 MET  HA          3.50    (#    453:20  Unique         2.64, 2.82 A)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,1229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1231,1232,
 &end
#
#   80 MET  HN           80 MET  HA          3.50    (#    454:20  Unique         2.86, 2.93 A)
 &rst
  ixpk= 454, nxpk= 20, iat=1227,1229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:455      0 AMB  20-1:455    3.50    (#    455:20  Double Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1245,1246, 858, 859,
 igr2=1229,1109,
 &end
#
#   81 PRO  HD-          80 MET  HA          3.50    (#    456:20  Unique         2.34, 2.43 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,1229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1245,1246,
 &end
#
#   80 MET  HG+          80 MET  HA          3.50    (#    457:20  Unique         2.09, 2.74 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,1229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1234,1235,
 &end
#
#   81 PRO  HG-          80 MET  HA          5.50    (#    458:20  Unique         4.53, 4.57 A)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,1229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1248,1249,
 &end
#
#    0 AMB  20-2:459      0 AMB  20-1:459    3.50    (#    459:20  Double Ambig)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1231,1232, 909, 910,
 igr2=1229,1109,
 &end
#
#   47 TYR  HN            6 ASP  HA          3.50    (#    460:20  Unique         2.62, 3.21 A)
 &rst
  ixpk= 460, nxpk= 20, iat= 750,  91, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HN            6 ASP  HA          2.80    (#    461:20  Unique         2.21, 2.34 A)
 &rst
  ixpk= 461, nxpk= 20, iat= 101,  91, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 ASP  HB-           6 ASP  HA          3.50    (#    462:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  93,  94,
 &end
#
#    0 AMB  20-2:463      6 ASP  HA          3.50    (#    463:20  Single Ambig)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  89, 130,
 &end
#
#    6 ASP  HB+           6 ASP  HA          3.50    (#    464:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  93,  94,
 &end
#
#    7 VAL  MGX           6 ASP  HA          4.50    (#    465:20  Unique         3.97, 5.06 A)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   72 ALA  HN           71 ASN  HA          2.80    (#    466:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 466, nxpk= 20, iat=1121,1109, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 ASN  HN           71 ASN  HA          4.50    (#    467:20  Unique         2.83, 2.93 A)
 &rst
  ixpk= 467, nxpk= 20, iat=1107,1109, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ASN  HN           23 ASN  HA          4.50    (#    468:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 359, 361, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASN  HB+          71 ASN  HA          3.50    (#    469:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1111,1112,
 &end
#
#   71 ASN  HB-          71 ASN  HA          3.50    (#    470:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1111,1112,
 &end
#
#    0 AMB  20-2:471      0 AMB  20-1:471    3.50    (#    471:20  Double Ambig)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1234,1235, 909, 910,
 igr2=1229,1109,
 &end
#
#   46 VAL  MGX          71 ASN  HA          2.80    (#    472:20  Unique         2.09, 4.38 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#    6 ASP  HB+          23 ASN  HA          3.50    (#    473:20  Unique         2.50, 3.76 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1, 361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  93,  94,
 &end
#
#    0 AMB  20-2:474      6 ASP  HA          4.50    (#    474:20  Single Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 107, 108, 109, 111, 112, 113, 383, 384,
 &end
#
#    6 ASP  HN           23 ASN  HA          4.50    (#    475:20  Unique         2.98, 4.18 A)
 &rst
  ixpk= 475, nxpk= 20, iat=  89, 361, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 ILE  HN           23 ASN  HA          2.80    (#    476:20  Unique         2.18, 2.28 A)
 &rst
  ixpk= 476, nxpk= 20, iat= 373, 361, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 ASN  HD2-         23 ASN  HA          3.50    (#    477:20  Unique         1.98, 2.91 A)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1, 361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 368, 369,
 &end
#
#   23 ASN  HB+          23 ASN  HA          3.50    (#    478:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1, 361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 363, 364,
 &end
#
#   23 ASN  HB-          23 ASN  HA          3.50    (#    479:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1, 361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 363, 364,
 &end
#
#   78 ILE  QG2          79 ALA  HA          5.50    (#    480:20  Unique         3.85, 5.33 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1204,1205,1206,
 &end
#
#   79 ALA  HN           79 ALA  HA          4.50    (#    481:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 481, nxpk= 20, iat=1217,1219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 MET  HN           79 ALA  HA          2.80    (#    482:20  Unique         2.27, 2.61 A)
 &rst
  ixpk= 482, nxpk= 20, iat=1227,1219, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   79 ALA  MB           79 ALA  HA          2.80    (#    483:20  Unique         2.28, 2.63 A)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1221,1222,1223,
 &end
#
#    0 AMB  20-2:484      0 AMB  20-1:484    3.50    (#    484:20  Double Ambig)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 164, 165, 164, 165,
 igr2= 158, 159, 158, 159,
 &end
#
#   10 PRO  HG-           0 AMB  20-1:485    2.80    (#    485:20  Single Ambig)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 161, 162,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  MGX           0 AMB  20-1:486    3.50    (#    486:20  Single Ambig)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  HA            0 AMB  20-1:487    2.80    (#    487:20  Single Ambig)
 &rst
  ixpk= 487, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 158, 159, 158, 159,
 &end
#
#    0 AMB  20-2:488      0 AMB  20-1:488    2.80    (#    488:20  Double Ambig)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 399, 400, 399, 400, 161, 162, 161, 162,
 igr2= 158, 159, 158, 159, 158, 159,
 &end
#
#    9 VAL  HB            0 AMB  20-1:489    2.80    (#    489:20  Single Ambig)
 &rst
  ixpk= 489, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  MGY           0 AMB  20-1:490    3.50    (#    490:20  Single Ambig)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 158, 159, 158, 159,
 &end
#
#   81 PRO  HB+          81 PRO  HD+         4.50    (#    491:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1251,1252,
 igr2=1245,1246,
 &end
#
#   80 MET  HA           81 PRO  HD+         3.50    (#    492:20  Unique         2.34, 2.43 A)
 &rst
  ixpk= 492, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:493      0 AMB  20-1:493    2.80    (#    493:20  Double Ambig)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1248,1249,1248,1249,
 igr2=1245,1246,1245,1246,
 &end
#
#    0 AMB  20-2:494      0 AMB  20-1:494    3.50    (#    494:20  Double Ambig)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1231,1232,1238,1239,1240,
 igr2=1245,1246,1245,1246,
 &end
#
#   80 MET  HB-          81 PRO  HD+         5.50    (#    495:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1231,1232,
 igr2=1245,1246,
 &end
#
#   80 MET  HA           81 PRO  HD-         2.80    (#    496:20  Unique         2.34, 2.43 A)
 &rst
  ixpk= 496, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1245,1246,
 &end
#
#   81 PRO  HB+          81 PRO  HD-         5.50    (#    497:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1251,1252,
 igr2=1245,1246,
 &end
#
#   81 PRO  HG+          81 PRO  HD-         2.80    (#    498:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1248,1249,
 igr2=1245,1246,
 &end
#
#   80 MET  HB-          81 PRO  HD-         3.50    (#    499:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1231,1232,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:500     81 PRO  HD-         2.80    (#    500:20  Single Ambig)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=1231,1232,1238,1239,1240,
 igr2=1245,1246,
 &end
#
#   24 ILE  HA           25 PRO  HD+         2.80    (#    501:20  Unique         1.91, 2.24 A)
 &rst
  ixpk= 501, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:502      0 AMB  20-1:502    3.50    (#    502:20  Double Ambig)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 451, 452, 454, 455,
 igr2= 393, 394, 393, 394,
 &end
#
#    0 AMB  20-2:503      0 AMB  20-1:503    2.80    (#    503:20  Double Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 396, 397, 454, 455,
 igr2= 393, 394, 393, 394,
 &end
#
#   28 GLU  HB-          25 PRO  HD+         3.50    (#    504:20  Unique         2.01, 4.03 A)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 451, 452,
 igr2= 393, 394,
 &end
#
#   25 PRO  HB-          25 PRO  HD+         3.50    (#    505:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 399, 400,
 igr2= 393, 394,
 &end
#
#   24 ILE  QG2          25 PRO  HD+         3.50    (#    506:20  Unique         2.00, 4.34 A)
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 379, 380, 381,
 igr2= 393, 394,
 &end
#
#   25 PRO  HB-          25 PRO  HD-         4.50    (#    507:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 399, 400,
 igr2= 393, 394,
 &end
#
#   24 ILE  QG2          25 PRO  HD-         3.50    (#    508:20  Unique         2.00, 4.34 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 379, 380, 381,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:509      0 AMB  20-1:509    2.80    (#    509:20  Double Ambig)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 375, 594,
 igr2= 393, 394, 609, 610,
 &end
#
#    0 AMB  20-2:510     25 PRO  HD-         3.50    (#    510:20  Single Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 158, 159, 158, 159,
 igr2= 393, 394,
 &end
#
#   33 ILE  HG1+         38 PRO  HD+         5.50    (#    511:20  Unique         5.51, 6.98 A)
 &rst
  ixpk= 511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 549, 550,
 igr2= 609, 610,
 &end
#
#   37 VAL  HN           38 PRO  HD+         5.50    (#    512:20  Unique         2.75, 3.40 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   39 ASP  HN           38 PRO  HD+         3.50    (#    513:20  Unique         2.65, 3.31 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 609, 610,
 &end
#
#   38 PRO  HA           38 PRO  HD+         5.50    (#    514:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   37 VAL  HA           38 PRO  HD+         2.80    (#    515:20  Unique         2.05, 2.55 A)
 &rst
  ixpk= 515, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 609, 610,
 &end
#
#   38 PRO  HB+          38 PRO  HD+         4.50    (#    516:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 615, 616,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:517      0 AMB  20-1:517    2.80    (#    517:20  Double Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 612, 613, 612, 613,
 igr2= 609, 610, 609, 610,
 &end
#
#   37 VAL  HN           38 PRO  HD-         4.50    (#    518:20  Unique         2.75, 3.40 A)
 &rst
  ixpk= 518, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   38 PRO  HA           38 PRO  HD-         4.50    (#    519:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 519, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:521      0 AMB  20-1:521    3.50    (#    521:20  Double Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 615, 616, 164, 165,
 igr2= 609, 610, 393, 394,
 &end
#
#    0 AMB  20-2:522      0 AMB  20-1:522    2.80    (#    522:20  Double Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 612, 613, 612, 613, 454, 455,
 igr2= 609, 610, 393, 394,
 &end
#
#   71 ASN  HD2+         55 GLY  HA+         4.50    (#    524:20  Unique         1.95, 3.78 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117,
 igr2= 867, 868,
 &end
#
#   55 GLY  HN           55 GLY  HA+         2.80    (#    525:20  Unique         2.29, 2.55 A)
 &rst
  ixpk= 525, nxpk= 20, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 867, 868,
 &end
#
#   56 GLN  HN           55 GLY  HA+         3.50    (#    526:20  Unique         2.65, 3.22 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 872,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 867, 868,
 &end
#
#   58 LYS  HB+          55 GLY  HA+         4.50    (#    527:20  Unique         2.57, 4.21 A)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2= 867, 868,
 &end
#
#   71 ASN  HD2+         55 GLY  HA-         3.50    (#    528:20  Unique         1.95, 3.78 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1116,1117,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:529     55 GLY  HA-         4.50    (#    529:20  Single Ambig)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1111,1112, 928, 929,
 igr2= 867, 868,
 &end
#
#   58 LYS  HB+          55 GLY  HA-         3.50    (#    530:20  Unique         2.57, 4.21 A)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 903, 904,
 igr2= 867, 868,
 &end
#
#   58 LYS  HB-          55 GLY  HA-         3.50    (#    531:20  Unique         2.57, 4.21 A)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 903, 904,
 igr2= 867, 868,
 &end
#
#   55 GLY  HN           55 GLY  HA-         3.50    (#    532:20  Unique         2.29, 2.55 A)
 &rst
  ixpk= 532, nxpk= 20, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 867, 868,
 &end
#
#   56 GLN  HN           55 GLY  HA-         4.50    (#    533:20  Unique         2.65, 3.22 A)
 &rst
  ixpk= 533, nxpk= 20, iat= 872,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 867, 868,
 &end
#
#   71 ASN  HD2-         55 GLY  HA-         4.50    (#    534:20  Unique         1.95, 3.78 A)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117,
 igr2= 867, 868,
 &end
#
#   85 GLY  HN           85 GLY  HA+         3.50    (#    535:20  Unique         2.30, 2.70 A)
 &rst
  ixpk= 535, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1320,1321,
 &end
#
#   85 GLY  HN           85 GLY  HA-         3.50    (#    536:20  Unique         2.30, 2.70 A)
 &rst
  ixpk= 536, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:542      0 AMB  20-1:542    4.50    (#    542:20  Double Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1116,1117,1116,1117,
 igr2=1133,1134, 808, 809,
 &end
#
#   74 GLY  HN           73 GLY  HA+         2.80    (#    543:20  Unique         2.14, 2.72 A)
 &rst
  ixpk= 543, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1133,1134,
 &end
#
#   73 GLY  HN           73 GLY  HA+         3.50    (#    544:20  Unique         2.29, 2.68 A)
 &rst
  ixpk= 544, nxpk= 20, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1133,1134,
 &end
#
#   74 GLY  HN           73 GLY  HA-         3.50    (#    546:20  Unique         2.14, 2.72 A)
 &rst
  ixpk= 546, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1133,1134,
 &end
#
#   73 GLY  HN           73 GLY  HA-         3.50    (#    547:20  Unique         2.29, 2.68 A)
 &rst
  ixpk= 547, nxpk= 20, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1133,1134,
 &end
#
#   51 GLY  HA+          73 GLY  HA-         5.50    (#    548:20  Unique         2.75, 4.78 A)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 808, 809,
 igr2=1133,1134,
 &end
#
#   47 TYR  HA            0 AMB  20-1:550    4.50    (#    550:20  Single Ambig)
 &rst
  ixpk= 550, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1133,1134, 808, 809,
 &end
#
#   21 ALA  HN           20 GLY  HA+         4.50    (#    551:20  Unique         2.14, 2.98 A)
 &rst
  ixpk= 551, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 325, 326,
 &end
#
#   21 ALA  HN           20 GLY  HA+         4.50    (#    553:20  Unique         2.14, 2.98 A)
 &rst
  ixpk= 553, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 325, 326,
 &end
#
#   40 LYS  HD-          65 GLY  HA+         3.50    (#    554:20  Unique         2.78, 4.55 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 644, 645,
 igr2=1019,1020,
 &end
#
#   66 TYR  HN           65 GLY  HA+         4.50    (#    555:20  Unique         2.68, 3.24 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1019,1020,
 &end
#
#   65 GLY  HN           65 GLY  HA+         3.50    (#    556:20  Unique         2.53, 2.77 A)
 &rst
  ixpk= 556, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1019,1020,
 &end
#
#   20 GLY  HN           20 GLY  HA-         5.50    (#    558:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 325, 326,
 &end
#
#   21 ALA  HN           20 GLY  HA-         4.50    (#    559:20  Unique         2.14, 2.98 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 325, 326,
 &end
#
#   66 TYR  HN           65 GLY  HA-         3.50    (#    561:20  Unique         2.68, 3.24 A)
 &rst
  ixpk= 561, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1019,1020,
 &end
#
#   65 GLY  HN           65 GLY  HA-         2.80    (#    562:20  Unique         2.53, 2.77 A)
 &rst
  ixpk= 562, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1019,1020,
 &end
#
#   40 LYS  HD-          65 GLY  HA-         4.50    (#    563:20  Unique         2.78, 4.55 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 644, 645,
 igr2=1019,1020,
 &end
#
#   74 GLY  HN           74 GLY  HA+         3.50    (#    566:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 566, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:568      0 AMB  20-1:568    2.80    (#    568:20  Double Ambig)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 771,1145,
 igr2=1140,1141,1140,1141,
 &end
#
#   74 GLY  HN           74 GLY  HA-         3.50    (#    569:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 569, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:570     74 GLY  HA-         3.50    (#    570:20  Single Ambig)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 771,1145,
 igr2=1140,1141,
 &end
#
#    8 ARG  HB+           8 ARG  HD+         3.50    (#    572:20  Unique         2.03, 3.27 A)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 121, 122,
 igr2= 127, 128,
 &end
#
#    8 ARG  HB-           8 ARG  HD+         3.50    (#    573:20  Unique         2.03, 3.27 A)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 121, 122,
 igr2= 127, 128,
 &end
#
#    8 ARG  HG+           8 ARG  HD+         3.50    (#    574:20  Unique         2.25, 2.60 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 124, 125,
 igr2= 127, 128,
 &end
#
#    8 ARG  HG-           8 ARG  HD+         3.50    (#    575:20  Unique         2.25, 2.60 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 124, 125,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:577      8 ARG  HD-         5.50    (#    577:20  Single Ambig)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1149,1150, 175, 176, 175, 176,
 igr2= 127, 128,
 &end
#
#    8 ARG  HB+           8 ARG  HD-         3.50    (#    579:20  Unique         2.03, 3.27 A)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 121, 122,
 igr2= 127, 128,
 &end
#
#    8 ARG  HG+           8 ARG  HD-         3.50    (#    580:20  Unique         2.25, 2.60 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 124, 125,
 igr2= 127, 128,
 &end
#
#    8 ARG  HG-           8 ARG  HD-         3.50    (#    581:20  Unique         2.25, 2.60 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 124, 125,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:583      0 AMB  20-1:583    3.50    (#    583:20  Double Ambig)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 451, 452, 454, 455,
 igr2= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:584      0 AMB  20-1:584    2.80    (#    584:20  Double Ambig)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 519, 520, 522, 523,
 igr2= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:585      0 AMB  20-1:585    3.50    (#    585:20  Double Ambig)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 525, 526, 525, 526,
 &end
#
#   32 ARG  HA           32 ARG  HD+         4.50    (#    586:20  Unique         2.50, 3.76 A)
 &rst
  ixpk= 586, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 525, 526,
 &end
#
#   32 ARG  HG-          32 ARG  HD+         2.80    (#    587:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 522, 523,
 igr2= 525, 526,
 &end
#
#   32 ARG  HA           32 ARG  HD-         5.50    (#    589:20  Unique         2.50, 3.76 A)
 &rst
  ixpk= 589, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:590     32 ARG  HD-         3.50    (#    590:20  Single Ambig)
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 451, 452, 454, 455,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:591     32 ARG  HD-         2.80    (#    591:20  Single Ambig)
 &rst
  ixpk= 591, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 519, 520, 522, 523,
 igr2= 525, 526,
 &end
#
#   32 ARG  HG-          32 ARG  HD-         3.50    (#    592:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 522, 523,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:593     32 ARG  HD-         3.50    (#    593:20  Single Ambig)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 525, 526,
 &end
#
#    6 ASP  HN            6 ASP  HB+         3.50    (#    594:20  Unique         2.08, 2.72 A)
 &rst
  ixpk= 594, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#   24 ILE  HN            6 ASP  HB+         3.50    (#    595:20  Unique         2.45, 3.90 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#    6 ASP  HA            6 ASP  HB+         4.50    (#    596:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 596, nxpk= 20, iat=  91,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  93,  94,
 &end
#
#   23 ASN  HA            6 ASP  HB+         3.50    (#    597:20  Unique         2.50, 3.76 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#    6 ASP  HN            6 ASP  HB-         3.50    (#    598:20  Unique         2.08, 2.72 A)
 &rst
  ixpk= 598, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#    6 ASP  HA            6 ASP  HB-         3.50    (#    600:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 600, nxpk= 20, iat=  91,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:601      6 ASP  HB-         3.50    (#    601:20  Single Ambig)
 &rst
  ixpk= 601, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 124, 125, 334, 335, 336,
 igr2=  93,  94,
 &end
#
#   78 ILE  QD1          47 TYR  HB+         3.50    (#    602:20  Unique         2.05, 3.62 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1211,1212,1213,
 igr2= 754, 755,
 &end
#
#   48 CYS  HN           47 TYR  HB+         3.50    (#    603:20  Unique         2.30, 3.49 A)
 &rst
  ixpk= 603, nxpk= 20, iat= 771,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#   47 TYR  HD           47 TYR  HB+         4.50    (#    604:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 758, 767,
 igr2= 754, 755,
 &end
#
#   47 TYR  HA           47 TYR  HB+         3.50    (#    605:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:606      0 AMB  20-1:606    3.50    (#    606:20  Double Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1125,1126,1127,1152,
 igr2= 754, 755, 754, 755,
 &end
#
#    0 AMB  20-2:608      0 AMB  20-1:608    4.50    (#    608:20  Double Ambig)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 839, 815,
 igr2= 823, 824, 823, 824, 823, 824,
 &end
#
#    0 AMB  20-2:609      0 AMB  20-1:609    3.50    (#    609:20  Double Ambig)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 817, 818, 817, 818, 817, 818,
 igr2= 823, 824, 823, 824, 823, 824,
 &end
#
#    0 AMB  20-2:610      0 AMB  20-1:610    2.80    (#    610:20  Double Ambig)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 820, 821, 820, 821,
 igr2= 823, 824, 823, 824,
 &end
#
#   48 CYS  HN           47 TYR  HB-         3.50    (#    611:20  Unique         2.30, 3.49 A)
 &rst
  ixpk= 611, nxpk= 20, iat= 771,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#   47 TYR  HA           47 TYR  HB-         3.50    (#    612:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:613     47 TYR  HB-         3.50    (#    613:20  Single Ambig)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1125,1126,1127,1152,
 igr2= 754, 755,
 &end
#
#   78 ILE  QD1          47 TYR  HB-         3.50    (#    614:20  Unique         2.05, 3.62 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1211,1212,1213,
 igr2= 754, 755,
 &end
#
#   27 LYS  HN           26 LEU  HB+         3.50    (#    616:20  Unique         1.93, 3.28 A)
 &rst
  ixpk= 616, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#   26 LEU  HN           26 LEU  HB+         3.50    (#    617:20  Unique         2.09, 2.92 A)
 &rst
  ixpk= 617, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#   26 LEU  HA           26 LEU  HB+         3.50    (#    618:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 618, nxpk= 20, iat= 408,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#   26 LEU  HG           26 LEU  HB+         2.80    (#    619:20  Unique         2.38, 2.73 A)
 &rst
  ixpk= 619, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 410, 411,
 &end
#
#   26 LEU  MDX          26 LEU  HB+         2.80    (#    620:20  Unique         2.05, 3.28 A)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 410, 411,
 &end
#
#   26 LEU  HN           26 LEU  HB-         3.50    (#    621:20  Unique         2.09, 2.92 A)
 &rst
  ixpk= 621, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#   26 LEU  HA           26 LEU  HB-         3.50    (#    622:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 622, nxpk= 20, iat= 408,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#    7 VAL  HB           26 LEU  HB-         4.50    (#    623:20  Unique         1.98, 3.38 A)
 &rst
  ixpk= 623, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 410, 411,
 &end
#
#   26 LEU  HG           26 LEU  HB-         2.80    (#    624:20  Unique         2.38, 2.73 A)
 &rst
  ixpk= 624, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 410, 411,
 &end
#
#   26 LEU  MDX          26 LEU  HB-         3.50    (#    625:20  Unique         2.05, 3.28 A)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 410, 411,
 &end
#
#   26 LEU  MDY          26 LEU  HB-         3.50    (#    626:20  Unique         2.05, 3.28 A)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:627      0 AMB  20-1:627    4.50    (#    627:20  Double Ambig)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 105, 844, 845,
 igr2= 410, 411, 410, 411,
 &end
#
#   80 MET  HN           82 LYS  HE+         4.50    (#    630:20  Unique         3.06, 4.17 A)
 &rst
  ixpk= 630, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1271,1272,
 &end
#
#   75 LEU  MDY          82 LYS  HE+         4.50    (#    631:20  Unique         2.00, 4.62 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2=1271,1272,
 &end
#
#   18 VAL  MGY          82 LYS  HE+         4.50    (#    632:20  Unique         2.69, 5.77 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:633      0 AMB  20-1:633    3.50    (#    633:20  Double Ambig)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1154,1155,1156,1158,1159,1160,1265,1266,
 igr2=1271,1272,1271,1272,
 &end
#
#    0 AMB  20-2:635     82 LYS  HE-         3.50    (#    635:20  Single Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1265,1266,1268,1269,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:636     82 LYS  HE-         3.50    (#    636:20  Single Ambig)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1154,1155,1156,1158,1159,1160,1265,1266,
 igr2=1271,1272,
 &end
#
#   75 LEU  MDY          82 LYS  HE-         3.50    (#    637:20  Unique         2.00, 4.62 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2=1271,1272,
 &end
#
#   18 VAL  MGY          82 LYS  HE-         3.50    (#    638:20  Unique         2.69, 5.77 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:642      0 AMB  20-1:642    3.50    (#    642:20  Double Ambig)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 903, 904, 909, 910,
 igr2= 912, 913, 912, 913,
 &end
#
#   58 LYS  HG+          58 LYS  HE+         3.50    (#    643:20  Unique         2.05, 3.27 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 906, 907,
 igr2= 912, 913,
 &end
#
#   58 LYS  HG-          58 LYS  HE+         3.50    (#    644:20  Unique         2.05, 3.27 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 906, 907,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:645      0 AMB  20-1:645    3.50    (#    645:20  Double Ambig)
 &rst
  ixpk= 645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1=1174,1175,1174,1175,1174,1175, 909, 910,
 igr2=1177,1178,1177,1178,1177,1178, 912, 913,
 &end
#
#    0 AMB  20-2:646      0 AMB  20-1:646    2.80    (#    646:20  Double Ambig)
 &rst
  ixpk= 646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
 igr1=1171,1172,1171,1172,1171,1172, 906, 907, 906, 907,
      
 igr2=1177,1178,1177,1178,1177,1178, 912, 913, 912, 913,
      
 &end
#
#   58 LYS  HG-           0 AMB  20-1:647    3.50    (#    647:20  Single Ambig)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 906, 907,
 igr2= 912, 913, 912, 913,
 &end
#
#    0 AMB  20-2:649      0 AMB  20-1:649    2.80    (#    649:20  Double Ambig)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1152,1303,1304,1303,1304,1303,1304,1268,1269,1202,
      
 igr2=1271,1272,1309,1310,1309,1310,1309,1310,1271,1272,
      1271,1272,
 &end
#
#   66 TYR  HE            0 AMB  20-1:650    4.50    (#    650:20  Single Ambig)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1034,1039,
 igr2= 647, 648, 647, 648,
 &end
#
#   34 ALA  MB            0 AMB  20-1:652    4.50    (#    652:20  Single Ambig)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 562, 563, 564,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  20-2:653      0 AMB  20-1:653    2.80    (#    653:20  Double Ambig)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 644, 645, 644, 645,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  20-2:654      0 AMB  20-1:654    2.80    (#    654:20  Double Ambig)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 641, 642, 641, 642, 644, 645,
 igr2= 647, 648, 647, 648, 647, 648,
 &end
#
#   40 LYS  HG-           0 AMB  20-1:655    3.50    (#    655:20  Single Ambig)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 641, 642,
 igr2= 647, 648, 647, 648,
 &end
#
#   43 THR  MG2          45 LYS  HE+         3.50    (#    657:20  Unique         2.16, 4.28 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 688, 689, 690,
 igr2= 725, 726,
 &end
#
#   45 LYS  HD+          45 LYS  HE+         3.50    (#    658:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 722, 723,
 igr2= 725, 726,
 &end
#
#   45 LYS  HG+          45 LYS  HE+         3.50    (#    659:20  Unique         2.01, 3.05 A)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 719, 720,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:660      0 AMB  20-1:660    3.50    (#    660:20  Double Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 719, 720, 716, 717,
 igr2= 725, 726, 725, 726,
 &end
#
#   43 THR  MG2          45 LYS  HE-         3.50    (#    661:20  Unique         2.16, 4.28 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 688, 689, 690,
 igr2= 725, 726,
 &end
#
#   45 LYS  HD+          45 LYS  HE-         4.50    (#    662:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 722, 723,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:663     45 LYS  HE-         3.50    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 719, 720, 722, 723,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:664     45 LYS  HE-         3.50    (#    664:20  Single Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 719, 720, 716, 717,
 igr2= 725, 726,
 &end
#
#   76 LYS  HN           75 LEU  HB+         4.50    (#    665:20  Unique         2.25, 3.65 A)
 &rst
  ixpk= 665, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1149,1150,
 &end
#
#   75 LEU  HN           75 LEU  HB+         3.50    (#    666:20  Unique         2.04, 2.83 A)
 &rst
  ixpk= 666, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1149,1150,
 &end
#
#   75 LEU  MDY          75 LEU  HB+         4.50    (#    667:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2=1149,1150,
 &end
#
#   75 LEU  HA           75 LEU  HB+         4.50    (#    668:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 668, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:669      0 AMB  20-1:669    2.80    (#    669:20  Double Ambig)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1268,1269,1152,
 igr2=1149,1150,1149,1150,
 &end
#
#   75 LEU  MDX          75 LEU  HB+         3.50    (#    670:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2=1149,1150,
 &end
#
#   75 LEU  HN           75 LEU  HB-         3.50    (#    671:20  Unique         2.04, 2.83 A)
 &rst
  ixpk= 671, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1149,1150,
 &end
#
#   75 LEU  HA           75 LEU  HB-         3.50    (#    672:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 672, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1149,1150,
 &end
#
#   75 LEU  MDX          75 LEU  HB-         3.50    (#    673:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2=1149,1150,
 &end
#
#   75 LEU  MDY          75 LEU  HB-         3.50    (#    674:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:677      0 AMB  20-1:677    2.80    (#    677:20  Double Ambig)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.72, r4= 8.47,
 igr1= 482, 483,1174,1175,1174,1175,1174,1175, 909, 910,
       488, 489, 488, 489, 488, 489, 435, 436, 435, 436,
      
 igr2= 491, 492, 491, 492,1177,1178,1177,1178,1177,1178,
       912, 913, 491, 492, 491, 492, 438, 439, 438, 439,
       438, 439,
 &end
#
#    0 AMB  20-2:678      0 AMB  20-1:678    3.50    (#    678:20  Double Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1= 432, 433, 432, 433, 432, 433, 909, 910,
 igr2= 438, 439, 438, 439, 438, 439, 912, 913,
 &end
#
#   60 ILE  QG2           0 AMB  20-1:679    3.50    (#    679:20  Single Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 942, 943, 944,
 igr2= 491, 492, 491, 492,
 &end
#
#    0 AMB  20-2:680      0 AMB  20-1:680    2.80    (#    680:20  Double Ambig)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1=1300,1301, 488, 489, 488, 489, 488, 489,1306,1307,
      1306,1307,
 igr2=1309,1310,1309,1310, 491, 492, 491, 492, 491, 492,
      1309,1310,
 &end
#
#   77 ASP  HN           77 ASP  HB-         3.50    (#    681:20  Unique         2.07, 3.00 A)
 &rst
  ixpk= 681, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1190,1191,
 &end
#
#   61 LEU  HG           61 LEU  HB+         3.50    (#    682:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 682, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#   42 ASP  HN            0 AMB  20-1:684    2.80    (#    684:20  Single Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 626, 627, 674, 675,
 &end
#
#   39 ASP  HN           39 ASP  HB+         2.80    (#    686:20  Unique         2.07, 2.81 A)
 &rst
  ixpk= 686, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 626, 627,
 &end
#
#    3 HIS  HD2          42 ASP  HB-         3.50    (#    688:20  Unique         2.55, 3.15 A)
 &rst
  ixpk= 688, nxpk= 20, iat=  42,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 674, 675,
 &end
#
#   42 ASP  HA           42 ASP  HB-         3.50    (#    689:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 674, 675,
 &end
#
#   43 THR  HN           42 ASP  HB-         3.50    (#    691:20  Unique         1.95, 3.23 A)
 &rst
  ixpk= 691, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 674, 675,
 &end
#
#   41 ASN  HD2-         42 ASP  HB-         5.50    (#    692:20  Unique         4.44, 6.56 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 665, 666,
 igr2= 674, 675,
 &end
#
#   39 ASP  HN           39 ASP  HB-         3.50    (#    694:20  Unique         2.07, 2.81 A)
 &rst
  ixpk= 694, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 626, 627,
 &end
#
#   39 ASP  HA           39 ASP  HB-         3.50    (#    695:20  Unique         2.40, 2.82 A)
 &rst
  ixpk= 695, nxpk= 20, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 626, 627,
 &end
#
#   62 SER  HN           61 LEU  HB+         3.50    (#    696:20  Unique         2.43, 3.32 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:697      0 AMB  20-1:697    3.50    (#    697:20  Double Ambig)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 901, 891,
 igr2= 959, 960, 959, 960,
 &end
#
#   66 TYR  HB-          61 LEU  HB+         4.50    (#    698:20  Unique         2.79, 4.43 A)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:699      0 AMB  20-1:699    2.80    (#    699:20  Double Ambig)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 959, 960, 959, 960,
 &end
#
#   61 LEU  MDY          61 LEU  HB+         3.50    (#    700:20  Unique         2.00, 3.24 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 959, 960,
 &end
#
#   61 LEU  HN           61 LEU  HB+         3.50    (#    701:20  Unique         2.31, 3.03 A)
 &rst
  ixpk= 701, nxpk= 20, iat= 955,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#   61 LEU  HA           61 LEU  HB+         3.50    (#    702:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 702, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#   61 LEU  HN           61 LEU  HB-         4.50    (#    703:20  Unique         2.31, 3.03 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 955,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#   61 LEU  HA           61 LEU  HB-         3.50    (#    704:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#   66 TYR  HB+          61 LEU  HB-         4.50    (#    705:20  Unique         2.79, 4.43 A)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#   66 TYR  HB-          61 LEU  HB-         4.50    (#    706:20  Unique         2.79, 4.43 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#   61 LEU  HG           61 LEU  HB-         3.50    (#    707:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 707, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:708     61 LEU  HB-         2.80    (#    708:20  Single Ambig)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 959, 960,
 &end
#
#   61 LEU  MDY          61 LEU  HB-         2.80    (#    709:20  Unique         2.00, 3.24 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 959, 960,
 &end
#
#   23 ASN  HN           22 ILE  HB          3.50    (#    710:20  Unique         3.05, 3.41 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 359, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HA           22 ILE  HB          3.50    (#    711:20  Unique         2.99, 3.01 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 342, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1-         22 ILE  HB          3.50    (#    712:20  Unique         2.42, 2.51 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 350, 351,
 &end
#
#   22 ILE  HN           22 ILE  HB          3.50    (#    713:20  Unique         2.63, 2.74 A)
 &rst
  ixpk= 713, nxpk= 20, iat= 340, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1+         22 ILE  HB          3.50    (#    714:20  Unique         2.42, 2.51 A)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 350, 351,
 &end
#
#   49 ASN  HA           49 ASN  HB-         2.80    (#    718:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 786, 787,
 &end
#
#   41 ASN  HN           41 ASN  HB+         3.50    (#    719:20  Unique         2.18, 2.98 A)
 &rst
  ixpk= 719, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 660, 661,
 &end
#
#   41 ASN  HD2+         41 ASN  HB+         3.50    (#    720:20  Unique         2.12, 3.30 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#   41 ASN  HN           41 ASN  HB-         3.50    (#    721:20  Unique         2.18, 2.98 A)
 &rst
  ixpk= 721, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 660, 661,
 &end
#
#   41 ASN  HA           41 ASN  HB-         3.50    (#    722:20  Unique         2.32, 2.68 A)
 &rst
  ixpk= 722, nxpk= 20, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 660, 661,
 &end
#
#   41 ASN  HD2+         41 ASN  HB-         3.50    (#    723:20  Unique         2.12, 3.30 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#    5 ILE  HA            5 ILE  HB          3.50    (#    724:20  Unique         3.01, 3.02 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  72,  74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 ASN  HA           49 ASN  HB+         3.50    (#    725:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 725, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 786, 787,
 &end
#
#   60 ILE  HN           60 ILE  HB          2.80    (#    727:20  Unique         2.50, 2.57 A)
 &rst
  ixpk= 727, nxpk= 20, iat= 936, 940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 ILE  HA           60 ILE  HB          3.50    (#    728:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 728, nxpk= 20, iat= 938, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:729      0 AMB  20-1:729    2.80    (#    729:20  Double Ambig)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 740, 741, 742, 744, 745, 746, 949, 950, 951, 942,
       943, 944, 702, 703, 704, 706, 707, 708,
 igr2=  74, 940,
 &end
#
#    0 AMB  20-2:730      0 AMB  20-1:730    2.80    (#    730:20  Double Ambig)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  80,  81,  80,  81, 946, 947,
 igr2=  74, 940,
 &end
#
#    5 ILE  HN            5 ILE  HB          3.50    (#    731:20  Unique         2.54, 2.74 A)
 &rst
  ixpk= 731, nxpk= 20, iat=  70,  74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 ILE  QG2           5 ILE  HB          2.80    (#    732:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  76,  77,  78,
 &end
#
#   78 ILE  HN           78 ILE  HB          2.80    (#    733:20  Unique         2.52, 2.61 A)
 &rst
  ixpk= 733, nxpk= 20, iat=1198,1202, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 LEU  HA           78 ILE  HB          4.50    (#    734:20  Unique         2.19, 3.64 A)
 &rst
  ixpk= 734, nxpk= 20, iat=1147,1202, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 LYS  HE-          78 ILE  HB          4.50    (#    735:20  Unique         2.27, 3.74 A)
 &rst
  ixpk= 735, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1271,1272,
 &end
#
#   78 ILE  HG1-         78 ILE  HB          2.80    (#    736:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1208,1209,
 &end
#
#    0 AMB  20-2:737     78 ILE  HB          3.50    (#    737:20  Single Ambig)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1208,1209,1154,1155,1156,1158,1159,1160,1231,1232,
      
 &end
#
#   78 ILE  QG2          78 ILE  HB          2.80    (#    738:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1204,1205,1206,
 &end
#
#   78 ILE  QD1          78 ILE  HB          2.80    (#    739:20  Unique         2.27, 3.09 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1211,1212,1213,
 &end
#
#   18 VAL  MGY          78 ILE  HB          5.50    (#    740:20  Unique         3.60, 6.00 A)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#   23 ASN  HN           23 ASN  HB+         3.50    (#    741:20  Unique         2.33, 2.95 A)
 &rst
  ixpk= 741, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 363, 364,
 &end
#
#   23 ASN  HA           23 ASN  HB+         3.50    (#    742:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 742, nxpk= 20, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:744      5 ILE  HB          2.80    (#    744:20  Single Ambig)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
       112, 113,
 &end
#
#   23 ASN  HN           23 ASN  HB-         3.50    (#    745:20  Unique         2.33, 2.95 A)
 &rst
  ixpk= 745, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 363, 364,
 &end
#
#   23 ASN  HA           23 ASN  HB-         3.50    (#    746:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 746, nxpk= 20, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 363, 364,
 &end
#
#   29 VAL  MGY          24 ILE  HB          3.50    (#    747:20  Unique         1.99, 3.95 A)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   24 ILE  HA           24 ILE  HB          3.50    (#    748:20  Unique         2.61, 2.84 A)
 &rst
  ixpk= 748, nxpk= 20, iat= 375, 377, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:749     24 ILE  HB          3.50    (#    749:20  Single Ambig)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1= 451, 452, 519, 520, 522, 523, 344,
 &end
#
#   24 ILE  HG1-         24 ILE  HB          3.50    (#    750:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 383, 384,
 &end
#
#    0 AMB  20-2:751     24 ILE  HB          3.50    (#    751:20  Single Ambig)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 468, 469, 470, 472, 473, 474, 383, 384,
 &end
#
#    0 AMB  20-2:752     24 ILE  HB          2.80    (#    752:20  Single Ambig)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 379, 380, 381, 386, 387, 388,  76,  77,  78,
 &end
#
#   33 ILE  HN           33 ILE  HB          2.80    (#    753:20  Unique         2.37, 2.41 A)
 &rst
  ixpk= 753, nxpk= 20, iat= 539, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 ILE  HA           33 ILE  HB          2.80    (#    754:20  Unique         2.48, 2.50 A)
 &rst
  ixpk= 754, nxpk= 20, iat= 541, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 ILE  HG1-         33 ILE  HB          3.50    (#    755:20  Unique         2.62, 2.83 A)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#   33 ILE  QG2          33 ILE  HB          2.80    (#    756:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 545, 546, 547,
 &end
#
#    0 AMB  20-2:757     33 ILE  HB          2.80    (#    757:20  Single Ambig)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
 &end
#
#   14 GLN  HN           13 TYR  HB+         3.50    (#    758:20  Unique         2.18, 3.41 A)
 &rst
  ixpk= 758, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 207, 208,
 &end
#
#   13 TYR  HN           13 TYR  HB+         3.50    (#    759:20  Unique         2.23, 2.54 A)
 &rst
  ixpk= 759, nxpk= 20, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 207, 208,
 &end
#
#   10 PRO  HA           13 TYR  HB+         3.50    (#    760:20  Unique         2.00, 2.64 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 207, 208,
 &end
#
#   13 TYR  HA           13 TYR  HB+         4.50    (#    761:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 761, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   14 GLN  HN           13 TYR  HB-         4.50    (#    762:20  Unique         2.18, 3.41 A)
 &rst
  ixpk= 762, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   12 GLN  HN           13 TYR  HB-         4.50    (#    763:20  Unique         4.36, 4.63 A)
 &rst
  ixpk= 763, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   10 PRO  HA           13 TYR  HB-         4.50    (#    764:20  Unique         2.00, 2.64 A)
 &rst
  ixpk= 764, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   13 TYR  HA           13 TYR  HB-         3.50    (#    765:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 207, 208,
 &end
#
#   71 ASN  HN           71 ASN  HB+         3.50    (#    766:20  Unique         2.21, 2.85 A)
 &rst
  ixpk= 766, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1111,1112,
 &end
#
#   71 ASN  HD2+         71 ASN  HB+         3.50    (#    767:20  Unique         2.52, 3.49 A)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1116,1117,
 igr2=1111,1112,
 &end
#
#   71 ASN  HA           71 ASN  HB+         3.50    (#    768:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 768, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1111,1112,
 &end
#
#   71 ASN  HD2+         71 ASN  HB-         3.50    (#    769:20  Unique         2.52, 3.49 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1116,1117,
 igr2=1111,1112,
 &end
#
#   71 ASN  HA           71 ASN  HB-         3.50    (#    770:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 770, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1111,1112,
 &end
#
#   58 LYS  HD-          71 ASN  HB-         3.50    (#    771:20  Unique         2.00, 4.30 A)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 909, 910,
 igr2=1111,1112,
 &end
#
#   71 ASN  HN           71 ASN  HB-         4.50    (#    772:20  Unique         2.21, 2.85 A)
 &rst
  ixpk= 772, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1111,1112,
 &end
#
#   17 HIS  HN           16 GLU  HG+         4.50    (#    773:20  Unique         2.01, 3.59 A)
 &rst
  ixpk= 773, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#   16 GLU  HA           16 GLU  HG+         3.50    (#    774:20  Unique         2.13, 3.04 A)
 &rst
  ixpk= 774, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 265, 266,
 &end
#
#   82 LYS  HB+          16 GLU  HG+         3.50    (#    775:20  Unique         2.00, 3.34 A)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1262,1263,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:776      0 AMB  20-1:776    3.50    (#    776:20  Double Ambig)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1=1262,1263,1303,1304,1303,1304,1268,1269,
 igr2= 265, 266, 265, 266, 265, 266, 265, 266,
 &end
#
#    0 AMB  20-2:777      0 AMB  20-1:777    4.50    (#    777:20  Double Ambig)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1=1154,1155,1156,1158,1159,1160,1265,1266,
 igr2= 265, 266, 265, 266,
 &end
#
#   16 GLU  HA           16 GLU  HG-         3.50    (#    778:20  Unique         2.13, 3.04 A)
 &rst
  ixpk= 778, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:779     16 GLU  HG-         2.80    (#    779:20  Single Ambig)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 262, 263, 245, 246,
 igr2= 265, 266,
 &end
#
#   82 LYS  HB+          16 GLU  HG-         3.50    (#    780:20  Unique         2.00, 3.34 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1262,1263,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:781     16 GLU  HG-         3.50    (#    781:20  Single Ambig)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1262,1263,1303,1304,1303,1304,1268,1269,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:782     16 GLU  HG-         3.50    (#    782:20  Single Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1154,1155,1156,1158,1159,1160,1265,1266,
 igr2= 265, 266,
 &end
#
#   17 HIS  HN           16 GLU  HG-         3.50    (#    783:20  Unique         2.01, 3.59 A)
 &rst
  ixpk= 783, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 265, 266,
 &end
#
#   11 GLU  HN            0 AMB  20-1:784    4.50    (#    784:20  Single Ambig)
 &rst
  ixpk= 784, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 178, 179, 178, 179,
 &end
#
#   11 GLU  HA            0 AMB  20-1:785    3.50    (#    785:20  Single Ambig)
 &rst
  ixpk= 785, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 178, 179, 178, 179,
 &end
#
#    0 AMB  20-2:786      0 AMB  20-1:786    2.80    (#    786:20  Double Ambig)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 175, 176, 175, 176, 175, 176,
 igr2= 178, 179, 178, 179, 178, 179,
 &end
#
#   60 ILE  HA           63 GLU  HG-         4.50    (#    787:20  Unique         2.47, 4.54 A)
 &rst
  ixpk= 787, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 992, 993,
 &end
#
#   11 GLU  HN            0 AMB  20-1:788    4.50    (#    788:20  Single Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 178, 179, 178, 179,
 &end
#
#   31 GLU  HN            0 AMB  20-1:789    3.50    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 507, 508, 507, 508,
 &end
#
#   31 GLU  HN            0 AMB  20-1:790    4.50    (#    790:20  Single Ambig)
 &rst
  ixpk= 790, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 507, 508, 507, 508,
 &end
#
#    0 AMB  20-2:791      0 AMB  20-1:791    2.80    (#    791:20  Double Ambig)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 504, 505, 504, 505, 504, 505,
 igr2= 507, 508, 507, 508, 507, 508,
 &end
#
#   31 GLU  HA            0 AMB  20-1:792    3.50    (#    792:20  Single Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat= 502,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 507, 508, 507, 508,
 &end
#
#   28 GLU  HA           28 GLU  HG+         3.50    (#    793:20  Unique         2.20, 2.83 A)
 &rst
  ixpk= 793, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:794      0 AMB  20-1:794    2.80    (#    794:20  Double Ambig)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 451, 452, 519, 520, 522, 523,
 igr2= 454, 455, 454, 455, 454, 455,
 &end
#
#    3 HIS  HN            0 AMB  20-1:795    3.50    (#    795:20  Single Ambig)
 &rst
  ixpk= 795, nxpk= 20, iat=  29,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  21,  22,  21,  22,
 &end
#
#    2 GLU  HA            0 AMB  20-1:796    3.50    (#    796:20  Single Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  16,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  21,  22,  21,  22,
 &end
#
#   43 THR  MG2           0 AMB  20-1:797    3.50    (#    797:20  Single Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 688, 689, 690,
 igr2=  21,  22,  21,  22,
 &end
#
#   43 THR  HB            0 AMB  20-1:798    3.50    (#    798:20  Single Ambig)
 &rst
  ixpk= 798, nxpk= 20, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  21,  22,  21,  22,
 &end
#
#   66 TYR  HN           66 TYR  HB+         3.50    (#    799:20  Unique         2.23, 3.00 A)
 &rst
  ixpk= 799, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:801      0 AMB  20-1:801    3.50    (#    801:20  Double Ambig)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 987, 923,
 igr2= 992, 993, 928, 929,
 &end
#
#   63 GLU  HN           63 GLU  HG+         4.50    (#    802:20  Unique         1.95, 3.01 A)
 &rst
  ixpk= 802, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 992, 993,
 &end
#
#    0 AMB  20-2:803      0 AMB  20-1:803    2.80    (#    803:20  Double Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 987, 923, 173,
 igr2= 992, 993, 928, 929, 178, 179, 178, 179,
 &end
#
#   63 GLU  HN           63 GLU  HG-         4.50    (#    804:20  Unique         1.95, 3.01 A)
 &rst
  ixpk= 804, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 992, 993,
 &end
#
#   28 GLU  HN           28 GLU  HG+         3.50    (#    805:20  Unique         3.18, 3.98 A)
 &rst
  ixpk= 805, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:806      0 AMB  20-1:806    4.50    (#    806:20  Double Ambig)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 432, 433, 432, 433,
 igr2= 454, 455, 454, 455,
 &end
#
#   32 ARG  HB-          28 GLU  HG-         4.50    (#    807:20  Unique         2.40, 4.91 A)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 519, 520,
 igr2= 454, 455,
 &end
#
#   28 GLU  HN           28 GLU  HG-         3.50    (#    808:20  Unique         3.18, 3.98 A)
 &rst
  ixpk= 808, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 454, 455,
 &end
#
#   28 GLU  HA           28 GLU  HG-         3.50    (#    809:20  Unique         2.20, 2.83 A)
 &rst
  ixpk= 809, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:810     28 GLU  HG-         3.50    (#    810:20  Single Ambig)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 432, 433, 432, 433,
 igr2= 454, 455,
 &end
#
#   66 TYR  HD           66 TYR  HB+         3.50    (#    811:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1032,1041,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:812      0 AMB  20-1:812    3.50    (#    812:20  Double Ambig)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 976,1026,
 igr2=1028,1029,1028,1029,
 &end
#
#    0 AMB  20-2:813      0 AMB  20-1:813    5.50    (#    813:20  Double Ambig)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1080, 700,
 igr2=1028,1029,1028,1029,
 &end
#
#   61 LEU  HB-          66 TYR  HB+         3.50    (#    814:20  Unique         2.79, 4.43 A)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 959, 960,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:815      0 AMB  20-1:815    2.80    (#    815:20  Double Ambig)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2=1028,1029,1028,1029,
 &end
#
#   53 GLN  HA           53 GLN  HG+         3.50    (#    816:20  Unique         2.02, 2.92 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 844, 845,
 &end
#
#   53 GLN  HB-          53 GLN  HG+         3.50    (#    817:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 817, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 841, 842,
 igr2= 844, 845,
 &end
#
#   26 LEU  MDX          53 GLN  HG+         5.50    (#    818:20  Unique         2.00, 4.85 A)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 844, 845,
 &end
#
#   66 TYR  HN           66 TYR  HB-         3.50    (#    819:20  Unique         2.23, 3.00 A)
 &rst
  ixpk= 819, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1028,1029,
 &end
#
#   66 TYR  HD           66 TYR  HB-         3.50    (#    820:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1032,1041,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:821     66 TYR  HB-         3.50    (#    821:20  Single Ambig)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 976,1026,
 igr2=1028,1029,
 &end
#
#   61 LEU  HB+          66 TYR  HB-         4.50    (#    822:20  Unique         2.79, 4.43 A)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960,
 igr2=1028,1029,
 &end
#
#   61 LEU  HB-          66 TYR  HB-         3.50    (#    823:20  Unique         2.79, 4.43 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 959, 960,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:824     66 TYR  HB-         3.50    (#    824:20  Single Ambig)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2=1028,1029,
 &end
#
#   59 GLU  HN           59 GLU  HG+         3.50    (#    825:20  Unique         2.48, 3.54 A)
 &rst
  ixpk= 825, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 928, 929,
 &end
#
#    0 AMB  20-2:826      0 AMB  20-1:826    4.50    (#    826:20  Double Ambig)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 884, 885,1000,
 igr2= 928, 929, 992, 993,
 &end
#
#   53 GLN  HA           53 GLN  HG-         3.50    (#    827:20  Unique         2.02, 2.92 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:828      0 AMB  20-1:828    3.50    (#    828:20  Double Ambig)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 415, 416, 417, 419, 420, 421, 147, 148, 149, 151,
       152, 153,
 igr2= 844, 845, 178, 179, 178, 179,
 &end
#
#    0 AMB  20-2:829      0 AMB  20-1:829    4.50    (#    829:20  Double Ambig)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 884, 885, 141,1000,
 igr2= 928, 929, 844, 845, 992, 993,
 &end
#
#    0 AMB  20-2:830      0 AMB  20-1:830    3.50    (#    830:20  Double Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 186, 921,
 igr2= 178, 179, 178, 179, 928, 929,
 &end
#
#    0 AMB  20-2:831      0 AMB  20-1:831    4.50    (#    831:20  Double Ambig)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  33,  34, 674, 675,
 igr2=  21,  22,  21,  22,  21,  22,
 &end
#
#   83 VAL  HN           82 LYS  HB+         3.50    (#    832:20  Unique         2.22, 3.07 A)
 &rst
  ixpk= 832, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1262,1263,
 &end
#
#   82 LYS  HN           82 LYS  HB+         3.50    (#    833:20  Unique         2.11, 3.07 A)
 &rst
  ixpk= 833, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1262,1263,
 &end
#
#   16 GLU  HG-          82 LYS  HB+         3.50    (#    835:20  Unique         2.00, 3.34 A)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 265, 266,
 igr2=1262,1263,
 &end
#
#   82 LYS  HG-          82 LYS  HB+         3.50    (#    836:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1265,1266,
 igr2=1262,1263,
 &end
#
#   16 GLU  HG+          82 LYS  HB+         4.50    (#    837:20  Unique         2.00, 3.34 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 265, 266,
 igr2=1262,1263,
 &end
#
#   83 VAL  HN           82 LYS  HB-         5.50    (#    838:20  Unique         2.22, 3.07 A)
 &rst
  ixpk= 838, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1262,1263,
 &end
#
#   16 GLU  HG-          82 LYS  HB-         4.50    (#    839:20  Unique         2.00, 3.34 A)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 265, 266,
 igr2=1262,1263,
 &end
#
#   82 LYS  HN           82 LYS  HB-         3.50    (#    840:20  Unique         2.11, 3.07 A)
 &rst
  ixpk= 840, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1262,1263,
 &end
#
#   82 LYS  HG-          82 LYS  HB-         3.50    (#    842:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1265,1266,
 igr2=1262,1263,
 &end
#
#   70 GLU  HA            0 AMB  20-1:843    3.50    (#    843:20  Single Ambig)
 &rst
  ixpk= 843, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:844      0 AMB  20-1:844    2.80    (#    844:20  Double Ambig)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1096,1097,1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   70 GLU  HB-           0 AMB  20-1:845    2.80    (#    845:20  Single Ambig)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   43 THR  MG2           0 AMB  20-1:846    4.50    (#    846:20  Single Ambig)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 688, 689, 690,
 igr2=1099,1100,1099,1100,
 &end
#
#   70 GLU  HN            0 AMB  20-1:847    5.50    (#    847:20  Single Ambig)
 &rst
  ixpk= 847, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1099,1100,1099,1100,
 &end
#
#   70 GLU  HA            0 AMB  20-1:848    3.50    (#    848:20  Single Ambig)
 &rst
  ixpk= 848, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:849      0 AMB  20-1:849    2.80    (#    849:20  Double Ambig)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1096,1097,1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   70 GLU  HB-           0 AMB  20-1:850    3.50    (#    850:20  Single Ambig)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   80 MET  HA           80 MET  HB+         3.50    (#    851:20  Unique         2.64, 2.82 A)
 &rst
  ixpk= 851, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1231,1232,
 &end
#
#   81 PRO  HD+          80 MET  HB+         4.50    (#    852:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1245,1246,
 igr2=1231,1232,
 &end
#
#   81 PRO  HD-          80 MET  HB+         3.50    (#    853:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1245,1246,
 igr2=1231,1232,
 &end
#
#   78 ILE  QG2          80 MET  HB+         4.50    (#    854:20  Unique         2.00, 3.58 A)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1204,1205,1206,
 igr2=1231,1232,
 &end
#
#    0 AMB  20-2:855      0 AMB  20-1:855    4.50    (#    855:20  Double Ambig)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1231,1232,1231,1232,
 &end
#
#   80 MET  HN           80 MET  HB-         3.50    (#    856:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 856, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1231,1232,
 &end
#
#   80 MET  HA           80 MET  HB-         4.50    (#    857:20  Unique         2.64, 2.82 A)
 &rst
  ixpk= 857, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1231,1232,
 &end
#
#   81 PRO  HD-          80 MET  HB-         4.50    (#    858:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1245,1246,
 igr2=1231,1232,
 &end
#
#   80 MET  HG+          80 MET  HB-         3.50    (#    859:20  Unique         2.20, 2.69 A)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1234,1235,
 igr2=1231,1232,
 &end
#
#   78 ILE  QG2          80 MET  HB-         3.50    (#    860:20  Unique         2.00, 3.58 A)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1204,1205,1206,
 igr2=1231,1232,
 &end
#
#    0 AMB  20-2:861     80 MET  HB-         4.50    (#    861:20  Single Ambig)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1231,1232,
 &end
#
#   64 MET  HN           64 MET  HB+         3.50    (#    862:20  Unique         2.08, 2.83 A)
 &rst
  ixpk= 862, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1004,1005,
 &end
#
#   64 MET  HA           64 MET  HB+         3.50    (#    863:20  Unique         2.52, 2.82 A)
 &rst
  ixpk= 863, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1004,1005,
 &end
#
#   61 LEU  HA           64 MET  HB+         4.50    (#    864:20  Unique         2.02, 3.26 A)
 &rst
  ixpk= 864, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1004,1005,
 &end
#
#   64 MET  HG+          64 MET  HB+         3.50    (#    865:20  Unique         2.20, 2.68 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1007,1008,
 igr2=1004,1005,
 &end
#
#   64 MET  ME           64 MET  HB+         3.50    (#    866:20  Unique         2.00, 3.50 A)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1011,1012,1013,
 igr2=1004,1005,
 &end
#
#   56 GLN  HE2+         56 GLN  HG+         3.50    (#    867:20  Unique         2.13, 3.32 A)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 884, 885,
 igr2= 879, 880,
 &end
#
#   12 GLN  HA           12 GLN  HG+         2.80    (#    868:20  Unique         2.15, 2.91 A)
 &rst
  ixpk= 868, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 193, 194,
 &end
#
#    0 AMB  20-2:869      0 AMB  20-1:869    2.80    (#    869:20  Double Ambig)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 190, 191, 190, 191, 876, 877,
 igr2= 193, 194, 193, 194, 879, 880,
 &end
#
#   64 MET  HG+          64 MET  HB-         3.50    (#    870:20  Unique         2.20, 2.68 A)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1007,1008,
 igr2=1004,1005,
 &end
#
#    0 AMB  20-2:871      0 AMB  20-1:871    2.80    (#    871:20  Double Ambig)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1000, 884, 885,
 igr2=1004,1005, 879, 880,
 &end
#
#    0 AMB  20-2:872      0 AMB  20-1:872    3.50    (#    872:20  Double Ambig)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1= 147, 148, 149, 151, 152, 153, 946, 947,
 igr2= 193, 194, 879, 880,
 &end
#
#   84 LYS  HN           84 LYS  HB+         4.50    (#    873:20  Unique         2.25, 3.12 A)
 &rst
  ixpk= 873, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:874      0 AMB  20-1:874    2.80    (#    874:20  Double Ambig)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1303,1304,1303,1304,
 igr2=1300,1301,1300,1301,
 &end
#
#   85 GLY  HN           84 LYS  HB+         3.50    (#    875:20  Unique         1.95, 3.20 A)
 &rst
  ixpk= 875, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#   84 LYS  HA           84 LYS  HB+         3.50    (#    876:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 876, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#   84 LYS  HA           84 LYS  HB-         3.50    (#    877:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 877, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:878     84 LYS  HB-         2.80    (#    878:20  Single Ambig)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1303,1304,1303,1304,
 igr2=1300,1301,
 &end
#
#   84 LYS  HN           84 LYS  HB-         3.50    (#    879:20  Unique         2.25, 3.12 A)
 &rst
  ixpk= 879, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:880      0 AMB  20-1:880    3.50    (#    880:20  Double Ambig)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1= 147, 148, 149, 151, 152, 153, 946, 947,
 igr2= 193, 194, 879, 880,
 &end
#
#    0 AMB  20-2:881      0 AMB  20-1:881    3.50    (#    881:20  Double Ambig)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 198, 199, 186,
 igr2= 193, 194, 193, 194,
 &end
#
#    0 AMB  20-2:882     12 GLN  HG-         3.50    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 198, 199, 186,
 igr2= 193, 194,
 &end
#
#    0 AMB  20-2:883      0 AMB  20-1:883    2.80    (#    883:20  Double Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 188, 874,
 igr2= 193, 194, 879, 880,
 &end
#
#    0 AMB  20-2:884      0 AMB  20-1:884    2.80    (#    884:20  Double Ambig)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 190, 191, 190, 191, 876, 877,
 igr2= 193, 194, 879, 880,
 &end
#
#    0 AMB  20-2:885      0 AMB  20-1:885    4.50    (#    885:20  Double Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 415, 416, 417, 419, 420, 421, 942, 943, 944,
 igr2= 879, 880,1004,1005,
 &end
#
#   44 VAL  HN           44 VAL  HB          3.50    (#    887:20  Unique         2.49, 2.65 A)
 &rst
  ixpk= 887, nxpk= 20, iat= 696, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 VAL  HA           44 VAL  HB          4.50    (#    888:20  Unique         2.86, 3.41 A)
 &rst
  ixpk= 888, nxpk= 20, iat=1078, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:889     44 VAL  HB          2.80    (#    889:20  Single Ambig)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  MGX          44 VAL  HB          2.80    (#    890:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 890, nxpk= 20, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:891     83 VAL  HB          3.50    (#    891:20  Single Ambig)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1280, 283,
 &end
#
#    0 AMB  20-2:892     83 VAL  HB          3.50    (#    892:20  Single Ambig)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1296, 273,
 &end
#
#   83 VAL  HA           83 VAL  HB          3.50    (#    893:20  Unique         2.37, 2.88 A)
 &rst
  ixpk= 893, nxpk= 20, iat=1282,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 VAL  MGY          83 VAL  HB          3.50    (#    894:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  MGX          83 VAL  HB          3.50    (#    895:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   15 GLN  HA           15 GLN  HG-         3.50    (#    896:20  Unique         2.08, 2.92 A)
 &rst
  ixpk= 896, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:898     15 GLN  HG-         2.80    (#    898:20  Single Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 245, 246, 245, 246, 262, 263,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:900     44 VAL  HB          5.50    (#    900:20  Single Ambig)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 &end
#
#    0 AMB  20-2:901     46 VAL  HB          3.50    (#    901:20  Single Ambig)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 750, 734, 899,
 &end
#
#   46 VAL  HA           46 VAL  HB          3.50    (#    902:20  Unique         2.41, 2.50 A)
 &rst
  ixpk= 902, nxpk= 20, iat= 736, 738, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:903      0 AMB  20-1:903    5.50    (#    903:20  Double Ambig)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 901, 891,
 igr2= 700, 738,
 &end
#
#   57 ALA  MB           46 VAL  HB          3.50    (#    904:20  Unique         2.75, 4.18 A)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 893, 894, 895,
 &end
#
#    0 AMB  20-2:905     46 VAL  HB          2.80    (#    905:20  Single Ambig)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 107, 108, 109, 111, 112, 113, 740, 741, 742, 744,
       745, 746,
 &end
#
#   15 GLN  HN           15 GLN  HG+         3.50    (#    906:20  Unique         2.38, 3.75 A)
 &rst
  ixpk= 906, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 248, 249,
 &end
#
#   15 GLN  HA           15 GLN  HG+         3.50    (#    907:20  Unique         2.08, 2.92 A)
 &rst
  ixpk= 907, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:909      0 AMB  20-1:909    2.80    (#    909:20  Double Ambig)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 245, 246, 245, 246,
 igr2= 248, 249, 248, 249,
 &end
#
#   13 TYR  HB-           0 AMB  20-1:910    4.50    (#    910:20  Single Ambig)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 207, 208,
 igr2= 231, 232, 231, 232,
 &end
#
#   15 GLN  HN           15 GLN  HG-         3.50    (#    911:20  Unique         2.38, 3.75 A)
 &rst
  ixpk= 911, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 248, 249,
 &end
#
#    4 TRP  HN            3 HIS  HB+         4.50    (#    914:20  Unique         2.45, 3.23 A)
 &rst
  ixpk= 914, nxpk= 20, iat=  46,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  33,  34,
 &end
#
#    3 HIS  HN            3 HIS  HB+         4.50    (#    915:20  Unique         2.71, 3.33 A)
 &rst
  ixpk= 915, nxpk= 20, iat=  29,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  33,  34,
 &end
#
#    3 HIS  HA            3 HIS  HB+         3.50    (#    916:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 916, nxpk= 20, iat=  31,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  33,  34,
 &end
#
#   44 VAL  HA            3 HIS  HB+         4.50    (#    917:20  Unique         2.78, 4.19 A)
 &rst
  ixpk= 917, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  33,  34,
 &end
#
#    0 AMB  20-2:918      0 AMB  20-1:918    4.50    (#    918:20  Double Ambig)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=  50,  51,  50,  51,
 igr2=  33,  34,  33,  34,
 &end
#
#    0 AMB  20-2:919      0 AMB  20-1:919    4.50    (#    919:20  Double Ambig)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 353, 354, 355, 702, 703, 704, 706, 707, 708,
 igr2=  33,  34,  33,  34,
 &end
#
#    5 ILE  QD1           3 HIS  HB+         3.50    (#    920:20  Unique         2.55, 4.34 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  83,  84,  85,
 igr2=  33,  34,
 &end
#
#   37 VAL  MGX           3 HIS  HB+         4.50    (#    921:20  Unique         2.91, 5.09 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2=  33,  34,
 &end
#
#    5 ILE  QD1           3 HIS  HB-         4.50    (#    922:20  Unique         2.55, 4.34 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  83,  84,  85,
 igr2=  33,  34,
 &end
#
#    3 HIS  HN            3 HIS  HB-         3.50    (#    923:20  Unique         2.71, 3.33 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  29,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  33,  34,
 &end
#
#    3 HIS  HA            3 HIS  HB-         3.50    (#    924:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  31,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  33,  34,
 &end
#
#   44 VAL  HA            3 HIS  HB-         4.50    (#    925:20  Unique         2.78, 4.19 A)
 &rst
  ixpk= 925, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  33,  34,
 &end
#
#    0 AMB  20-2:926      3 HIS  HB-         3.50    (#    926:20  Single Ambig)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 353, 354, 355, 702, 703, 704, 706, 707, 708,
 igr2=  33,  34,
 &end
#
#   44 VAL  MGX           3 HIS  HB-         4.50    (#    927:20  Unique         2.69, 5.97 A)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=  33,  34,
 &end
#
#   37 VAL  MGX           3 HIS  HB-         4.50    (#    928:20  Unique         2.91, 5.09 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2=  33,  34,
 &end
#
#    0 AMB  20-2:929      0 AMB  20-1:929    2.80    (#    929:20  Double Ambig)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 228, 229, 228, 229, 228, 229,
 igr2= 231, 232, 231, 232, 231, 232,
 &end
#
#   14 GLN  HN            0 AMB  20-1:930    3.50    (#    930:20  Single Ambig)
 &rst
  ixpk= 930, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 231, 232, 231, 232,
 &end
#
#   11 GLU  HA            0 AMB  20-1:931    4.50    (#    931:20  Single Ambig)
 &rst
  ixpk= 931, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 231, 232, 231, 232,
 &end
#
#   14 GLN  HA            0 AMB  20-1:932    3.50    (#    932:20  Single Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 231, 232, 231, 232,
 &end
#
#   19 GLN  HA           19 GLN  HG+         3.50    (#    934:20  Unique         2.09, 2.80 A)
 &rst
  ixpk= 934, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 313, 314,
 &end
#
#   19 GLN  HB+          19 GLN  HG+         2.80    (#    935:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   83 VAL  MGX          19 GLN  HG+         4.50    (#    936:20  Unique         2.00, 5.18 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 313, 314,
 &end
#
#   19 GLN  HB+          19 GLN  HG-         2.80    (#    937:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   19 GLN  HB-          19 GLN  HG+         2.80    (#    938:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   58 LYS  HG-          69 VAL  HB          3.50    (#    939:20  Unique         2.01, 3.56 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,1080, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 906, 907,
 &end
#
#   69 VAL  HN           69 VAL  HB          3.50    (#    940:20  Unique         2.50, 3.20 A)
 &rst
  ixpk= 940, nxpk= 20, iat=1076,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 VAL  HA           69 VAL  HB          3.50    (#    941:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 941, nxpk= 20, iat=1078,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:942     69 VAL  HB          2.80    (#    942:20  Single Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,1080, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   70 GLU  HN            0 AMB  20-1:943    3.50    (#    943:20  Single Ambig)
 &rst
  ixpk= 943, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1080,1096,1097,
 &end
#
#   45 LYS  HA           70 GLU  HB-         3.50    (#    944:20  Unique         2.93, 4.05 A)
 &rst
  ixpk= 944, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1096,1097,
 &end
#
#   70 GLU  HN           70 GLU  HB-         3.50    (#    945:20  Unique         2.55, 3.01 A)
 &rst
  ixpk= 945, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1096,1097,
 &end
#
#   70 GLU  HA           70 GLU  HB-         3.50    (#    946:20  Unique         2.52, 2.82 A)
 &rst
  ixpk= 946, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:947     70 GLU  HB-         2.80    (#    947:20  Single Ambig)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1099,1100,1099,1100,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:949     70 GLU  HB-         3.50    (#    949:20  Single Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 719, 720, 702, 703, 704, 706, 707, 708,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:950      0 AMB  20-1:950    2.80    (#    950:20  Double Ambig)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 158, 159, 158, 159,
 igr2= 399, 400, 399, 400,
 &end
#
#   25 PRO  HD+          25 PRO  HB+         5.50    (#    951:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:952      0 AMB  20-1:952    4.50    (#    952:20  Double Ambig)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1227,  61,
 igr2=1234,1235,1234,1235,
 &end
#
#   80 MET  HA           80 MET  HG+         3.50    (#    953:20  Unique         2.09, 2.74 A)
 &rst
  ixpk= 953, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1234,1235,
 &end
#
#   78 ILE  QG2          80 MET  HG+         4.50    (#    954:20  Unique         2.04, 4.11 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1204,1205,1206,
 igr2=1234,1235,
 &end
#
#    0 AMB  20-2:955      0 AMB  20-1:955    4.50    (#    955:20  Double Ambig)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1234,1235,1234,1235,
 &end
#
#    0 AMB  20-2:957      0 AMB  20-1:957    2.80    (#    957:20  Double Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 515, 290,
 igr2= 519, 520, 294,
 &end
#
#   47 TYR  HE           18 VAL  HB          3.50    (#    958:20  Unique         3.04, 4.16 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1, 294, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 760, 765,
 &end
#
#   18 VAL  HA           18 VAL  HB          3.50    (#    959:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 959, nxpk= 20, iat= 292, 294, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:960      0 AMB  20-1:960    3.50    (#    960:20  Double Ambig)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 393, 394,  50,  51,
 igr2= 399, 400, 294,
 &end
#
#   18 VAL  MGY          18 VAL  HB          2.80    (#    961:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1, 294, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:962      0 AMB  20-1:962    3.50    (#    962:20  Double Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 539, 447,
 igr2= 519, 520, 399, 400,
 &end
#
#   80 MET  HA           80 MET  HG-         5.50    (#    963:20  Unique         2.09, 2.74 A)
 &rst
  ixpk= 963, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#    0 AMB  20-2:964      0 AMB  20-1:964    3.50    (#    964:20  Double Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1245,1246, 402,
 igr2=1234,1235, 399, 400,
 &end
#
#   78 ILE  QG2          80 MET  HG-         4.50    (#    965:20  Unique         2.04, 4.11 A)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1204,1205,1206,
 igr2=1234,1235,
 &end
#
#   80 MET  HB-          80 MET  HG-         3.50    (#    966:20  Unique         2.20, 2.69 A)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1231,1232,
 igr2=1234,1235,
 &end
#
#    9 VAL  HA           25 PRO  HB+         3.50    (#    967:20  Unique         2.44, 2.90 A)
 &rst
  ixpk= 967, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 399, 400,
 &end
#
#   25 PRO  HG-          25 PRO  HB+         2.80    (#    968:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 396, 397,
 igr2= 399, 400,
 &end
#
#   80 MET  HB-          80 MET  HG+         2.80    (#    969:20  Unique         2.20, 2.69 A)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1231,1232,
 igr2=1234,1235,
 &end
#
#   32 ARG  HN           32 ARG  HB+         3.50    (#    970:20  Unique         2.09, 2.73 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#   32 ARG  HA           32 ARG  HB+         3.50    (#    972:20  Unique         2.52, 2.80 A)
 &rst
  ixpk= 972, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    3.50    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 525, 526, 525, 526,
 igr2= 519, 520, 519, 520,
 &end
#
#    0 AMB  20-2:974      0 AMB  20-1:974    3.50    (#    974:20  Double Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 519, 520, 519, 520,
 &end
#
#    0 AMB  20-2:975      0 AMB  20-1:975    3.50    (#    975:20  Double Ambig)
 &rst
  ixpk= 975, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  29,  14,
 igr2=  18,  19,  18,  19,  18,  19,
 &end
#
#    2 GLU  HA            0 AMB  20-1:976    3.50    (#    976:20  Single Ambig)
 &rst
  ixpk= 976, nxpk= 20, iat=  16,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  18,  19,  18,  19,
 &end
#
#   43 THR  MG2           0 AMB  20-1:978    4.50    (#    978:20  Single Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 688, 689, 690,
 igr2=  18,  19,  18,  19,
 &end
#
#   32 ARG  HA           32 ARG  HB-         3.50    (#    979:20  Unique         2.52, 2.80 A)
 &rst
  ixpk= 979, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#   32 ARG  HD-          32 ARG  HB-         3.50    (#    980:20  Unique         1.99, 3.08 A)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 525, 526,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:982     32 ARG  HB-         3.50    (#    982:20  Single Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 519, 520,
 &end
#
#   33 ILE  HN           32 ARG  HB-         4.50    (#    983:20  Unique         2.11, 3.07 A)
 &rst
  ixpk= 983, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:984      0 AMB  20-1:984    4.50    (#    984:20  Double Ambig)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 539, 447,
 igr2= 519, 520, 399, 400,
 &end
#
#   25 PRO  HD+          25 PRO  HB-         4.50    (#    985:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#   64 MET  HN           64 MET  HG+         3.50    (#    986:20  Unique         2.40, 3.44 A)
 &rst
  ixpk= 986, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1007,1008,
 &end
#
#   64 MET  HA           64 MET  HG+         3.50    (#    987:20  Unique         2.03, 2.76 A)
 &rst
  ixpk= 987, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1007,1008,
 &end
#
#   61 LEU  HA           64 MET  HG+         5.50    (#    988:20  Unique         2.00, 3.70 A)
 &rst
  ixpk= 988, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HG+         3.50    (#    989:20  Unique         2.20, 2.68 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1004,1005,
 igr2=1007,1008,
 &end
#
#   64 MET  ME           64 MET  HG+         3.50    (#    990:20  Unique         2.11, 3.66 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1011,1012,1013,
 igr2=1007,1008,
 &end
#
#   60 ILE  QG2          64 MET  HG+         4.50    (#    991:20  Unique         2.52, 4.99 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 942, 943, 944,
 igr2=1007,1008,
 &end
#
#   64 MET  HN           64 MET  HG-         4.50    (#    992:20  Unique         2.40, 3.44 A)
 &rst
  ixpk= 992, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1007,1008,
 &end
#
#   64 MET  HA           64 MET  HG-         3.50    (#    993:20  Unique         2.03, 2.76 A)
 &rst
  ixpk= 993, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HG-         2.80    (#    994:20  Unique         2.20, 2.68 A)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1004,1005,
 igr2=1007,1008,
 &end
#
#   64 MET  ME           64 MET  HG-         3.50    (#    995:20  Unique         2.11, 3.66 A)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1011,1012,1013,
 igr2=1007,1008,
 &end
#
#   13 TYR  HB+          10 PRO  HB+         4.50    (#    996:20  Unique         3.82, 4.76 A)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 207, 208,
 igr2= 164, 165,
 &end
#
#   13 TYR  HB-          10 PRO  HB+         4.50    (#    997:20  Unique         3.82, 4.76 A)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 207, 208,
 igr2= 164, 165,
 &end
#
#   11 GLU  HN           10 PRO  HB+         5.50    (#    998:20  Unique         3.09, 3.85 A)
 &rst
  ixpk= 998, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 164, 165,
 &end
#
#   10 PRO  HA           10 PRO  HB+         2.80    (#    999:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 999, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:1000     0 AMB  20-1:1000   3.50    (#   1000:20  Double Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 158, 159, 158, 159,
 igr2= 164, 165, 164, 165,
 &end
#
#   10 PRO  HG+          10 PRO  HB+         3.50    (#   1001:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 161, 162,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:1002     0 AMB  20-1:1002   3.50    (#   1002:20  Double Ambig)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 164, 165,  93,  94,
 igr2= 399, 400, 399, 400,
 &end
#
#   11 GLU  HN           10 PRO  HB-         3.50    (#   1003:20  Unique         3.09, 3.85 A)
 &rst
  ixpk= 1003, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:1004     0 AMB  20-1:1004   2.80    (#   1004:20  Double Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 618, 167,
 igr2= 615, 616, 164, 165,
 &end
#
#    0 AMB  20-2:1005    10 PRO  HB-         3.50    (#   1005:20  Single Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 158, 159, 158, 159,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:1006     0 AMB  20-1:1006   3.50    (#   1006:20  Double Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 609, 610, 393, 394,
 igr2= 615, 616, 164, 165, 429, 430,
 &end
#
#    0 AMB  20-2:1007     0 AMB  20-1:1007   2.80    (#   1007:20  Double Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 161, 162, 399, 400, 454, 455,
 igr2= 164, 165, 429, 430, 429, 430,
 &end
#
#   27 LYS  HN           27 LYS  HB+         3.50    (#   1008:20  Unique         2.21, 2.83 A)
 &rst
  ixpk= 1008, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 429, 430,
 &end
#
#    0 AMB  20-2:1009     0 AMB  20-1:1009   2.80    (#   1009:20  Double Ambig)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 427, 594, 570,
 igr2= 429, 430, 596, 615, 616,
 &end
#
#    0 AMB  20-2:1010     0 AMB  20-1:1010   2.80    (#   1010:20  Double Ambig)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
 igr1= 432, 433, 432, 433, 598, 599, 600, 602, 603, 604,
      
 igr2= 429, 430, 429, 430, 596,
 &end
#
#   33 ILE  HG1-         37 VAL  HB          3.50    (#   1011:20  Unique         2.06, 3.05 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#   27 LYS  HN           27 LYS  HB-         3.50    (#   1012:20  Unique         2.21, 2.83 A)
 &rst
  ixpk= 1012, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 429, 430,
 &end
#
#   27 LYS  HA           27 LYS  HB-         2.80    (#   1013:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 427,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 429, 430,
 &end
#
#   18 VAL  HN           17 HIS  HB+         3.50    (#   1014:20  Unique         1.95, 3.10 A)
 &rst
  ixpk= 1014, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 277, 278,
 &end
#
#   17 HIS  HA           17 HIS  HB+         2.80    (#   1015:20  Unique         2.36, 2.47 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 275,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 277, 278,
 &end
#
#   38 PRO  HA           38 PRO  HB+         2.80    (#   1016:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 615, 616,
 &end
#
#   38 PRO  HD+          38 PRO  HB+         5.50    (#   1017:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 609, 610,
 igr2= 615, 616,
 &end
#
#   38 PRO  HD-          38 PRO  HB+         3.50    (#   1018:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 609, 610,
 igr2= 615, 616,
 &end
#
#    8 ARG  HN            8 ARG  HB-         3.50    (#   1019:20  Unique         2.06, 2.79 A)
 &rst
  ixpk= 1019, nxpk= 20, iat= 117,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 121, 122,
 &end
#
#    8 ARG  HA            8 ARG  HB-         4.50    (#   1020:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 1020, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 121, 122,
 &end
#
#   38 PRO  HD+          38 PRO  HB-         3.50    (#   1021:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 609, 610,
 igr2= 615, 616,
 &end
#
#    0 AMB  20-2:1022     0 AMB  20-1:1022   3.50    (#   1022:20  Double Ambig)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 539, 592,
 igr2= 519, 520, 596,
 &end
#
#   66 TYR  HE           37 VAL  HB          3.50    (#   1023:20  Unique         2.00, 4.14 A)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1034,1039,
 &end
#
#   33 ILE  HG1+         37 VAL  HB          2.80    (#   1025:20  Unique         2.06, 3.05 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 549, 550,
 &end
#
#   37 VAL  MGX          37 VAL  HB          2.80    (#   1026:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1027     0 AMB  20-1:1027   2.80    (#   1027:20  Double Ambig)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 478, 447,
 igr2= 482, 483, 429, 430,
 &end
#
#   31 GLU  HN           30 LYS  HB+         3.50    (#   1028:20  Unique         2.31, 3.04 A)
 &rst
  ixpk= 1028, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 482, 483,
 &end
#
#   30 LYS  HA           30 LYS  HB+         3.50    (#   1029:20  Unique         2.58, 2.84 A)
 &rst
  ixpk= 1029, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:1030    27 LYS  HB-         2.80    (#   1030:20  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 432, 433, 432, 433,
 igr2= 429, 430,
 &end
#
#   30 LYS  HN           30 LYS  HB-         3.50    (#   1031:20  Unique         2.08, 2.63 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 482, 483,
 &end
#
#   31 GLU  HN           30 LYS  HB-         4.50    (#   1032:20  Unique         2.31, 3.04 A)
 &rst
  ixpk= 1032, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 482, 483,
 &end
#
#   30 LYS  HA           30 LYS  HB-         3.50    (#   1033:20  Unique         2.58, 2.84 A)
 &rst
  ixpk= 1033, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 482, 483,
 &end
#
#   30 LYS  HG-          30 LYS  HB-         3.50    (#   1034:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 485, 486,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:1035    30 LYS  HB-         4.50    (#   1035:20  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474, 942, 943, 944,
 igr2= 482, 483,
 &end
#
#   40 LYS  HG-          40 LYS  HB+         3.50    (#   1036:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 638, 639,
 &end
#
#   45 LYS  HN           45 LYS  HB+         3.50    (#   1037:20  Unique         2.10, 2.96 A)
 &rst
  ixpk= 1037, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 716, 717,
 &end
#
#    4 TRP  HA           45 LYS  HB+         5.50    (#   1038:20  Unique         1.97, 2.78 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 716, 717,
 &end
#
#   45 LYS  HD+          45 LYS  HB+         3.50    (#   1039:20  Unique         2.00, 3.00 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 722, 723,
 igr2= 716, 717,
 &end
#
#   45 LYS  HA           45 LYS  HB+         3.50    (#   1040:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1040, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 716, 717,
 &end
#
#   72 ALA  MB           45 LYS  HB+         4.50    (#   1041:20  Unique         2.00, 4.75 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1125,1126,1127,
 igr2= 716, 717,
 &end
#
#   45 LYS  HG+          45 LYS  HB+         2.80    (#   1042:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 719, 720,
 igr2= 716, 717,
 &end
#
#   45 LYS  HN           45 LYS  HB-         5.50    (#   1043:20  Unique         2.10, 2.96 A)
 &rst
  ixpk= 1043, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 716, 717,
 &end
#
#   45 LYS  HA           45 LYS  HB-         3.50    (#   1044:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1044, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 716, 717,
 &end
#
#   72 ALA  MB           45 LYS  HB-         4.50    (#   1045:20  Unique         2.00, 4.75 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1125,1126,1127,
 igr2= 716, 717,
 &end
#
#   45 LYS  HD+          45 LYS  HB-         3.50    (#   1046:20  Unique         2.00, 3.00 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 722, 723,
 igr2= 716, 717,
 &end
#
#   45 LYS  HG+          45 LYS  HB-         2.80    (#   1047:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 719, 720,
 igr2= 716, 717,
 &end
#
#   17 HIS  HA           17 HIS  HB-         3.50    (#   1048:20  Unique         2.36, 2.47 A)
 &rst
  ixpk= 1048, nxpk= 20, iat= 275,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 277, 278,
 &end
#
#   18 VAL  HN           17 HIS  HB-         3.50    (#   1049:20  Unique         1.95, 3.10 A)
 &rst
  ixpk= 1049, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:1050     0 AMB  20-1:1050   4.50    (#   1050:20  Double Ambig)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 771,1258,
 igr2= 121, 122, 262, 263,
 &end
#
#    8 ARG  HA            8 ARG  HB+         3.50    (#   1051:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 1051, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 121, 122,
 &end
#
#    0 AMB  20-2:1052     0 AMB  20-1:1052   4.50    (#   1052:20  Double Ambig)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 143,1282,
 igr2= 121, 122, 262, 263,
 &end
#
#    8 ARG  HD+           8 ARG  HB+         3.50    (#   1053:20  Unique         2.03, 3.27 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 127, 128,
 igr2= 121, 122,
 &end
#
#    9 VAL  HN            8 ARG  HB+         4.50    (#   1054:20  Unique         2.43, 3.56 A)
 &rst
  ixpk= 1054, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 121, 122,
 &end
#
#    0 AMB  20-2:1055     0 AMB  20-1:1055   4.50    (#   1055:20  Double Ambig)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  91, 858, 859, 402, 856,
 igr2= 121, 122, 121, 122, 121, 122, 121, 122,
 &end
#
#   71 ASN  HD2+         58 LYS  HB+         4.50    (#   1056:20  Unique         2.31, 3.96 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117,
 igr2= 903, 904,
 &end
#
#    0 AMB  20-2:1057     0 AMB  20-1:1057   3.50    (#   1057:20  Double Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088,
 igr2= 903, 904, 903, 904, 903, 904,
 &end
#
#   58 LYS  HN           58 LYS  HB+         3.50    (#   1058:20  Unique         2.07, 2.54 A)
 &rst
  ixpk= 1058, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#   59 GLU  HN           58 LYS  HB+         3.50    (#   1059:20  Unique         1.95, 3.38 A)
 &rst
  ixpk= 1059, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#   58 LYS  HA           58 LYS  HB+         3.50    (#   1060:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1060, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#   58 LYS  HG+          58 LYS  HB+         3.50    (#   1061:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 906, 907,
 igr2= 903, 904,
 &end
#
#   76 LYS  HA           76 LYS  HB+         2.80    (#   1062:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=1166,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1168,1169,
 &end
#
#    0 AMB  20-2:1063     0 AMB  20-1:1063   2.80    (#   1063:20  Double Ambig)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1171,1172,1171,1172,
 igr2=1168,1169,1168,1169,
 &end
#
#    0 AMB  20-2:1064     0 AMB  20-1:1064   3.50    (#   1064:20  Double Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1154,1155,1156,1158,1159,1160, 415, 416, 417, 419,
       420, 421, 468, 469, 470, 472, 473, 474,
 igr2= 262, 263, 482, 483, 482, 483,
 &end
#
#   76 LYS  HA           76 LYS  HB-         2.80    (#   1065:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=1166,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1168,1169,
 &end
#
#   40 LYS  HN           40 LYS  HB+         3.50    (#   1069:20  Unique         2.17, 3.48 A)
 &rst
  ixpk= 1069, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:1070     0 AMB  20-1:1070   3.50    (#   1070:20  Double Ambig)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 644, 645, 641, 642,
 igr2= 638, 639, 638, 639,
 &end
#
#   66 TYR  HA           40 LYS  HB+         3.50    (#   1071:20  Unique         2.24, 3.76 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   40 LYS  HA           40 LYS  HB+         3.50    (#   1072:20  Unique         2.43, 2.78 A)
 &rst
  ixpk= 1072, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   58 LYS  HA           58 LYS  HB-         3.50    (#   1073:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1073, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#   58 LYS  HN           58 LYS  HB-         3.50    (#   1074:20  Unique         2.07, 2.54 A)
 &rst
  ixpk= 1074, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#    0 AMB  20-2:1075    58 LYS  HB-         3.50    (#   1075:20  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088,
 igr2= 903, 904,
 &end
#
#   40 LYS  HN           40 LYS  HB-         3.50    (#   1076:20  Unique         2.17, 3.48 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   40 LYS  HA           40 LYS  HB-         3.50    (#   1077:20  Unique         2.43, 2.78 A)
 &rst
  ixpk= 1077, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:1078    40 LYS  HB-         3.50    (#   1078:20  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 644, 645, 641, 642,
 igr2= 638, 639,
 &end
#
#   40 LYS  HG-          40 LYS  HB-         3.50    (#   1079:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 638, 639,
 &end
#
#   66 TYR  HA           40 LYS  HB-         4.50    (#   1080:20  Unique         2.24, 3.76 A)
 &rst
  ixpk= 1080, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:1081     0 AMB  20-1:1081   3.50    (#   1081:20  Double Ambig)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 773, 260,
 igr2= 121, 122, 262, 263,
 &end
#
#    0 AMB  20-2:1083     0 AMB  20-1:1083   2.80    (#   1083:20  Double Ambig)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 130, 478,
 igr2= 121, 122, 466,
 &end
#
#   29 VAL  HN           29 VAL  HB          2.80    (#   1084:20  Unique         2.11, 2.31 A)
 &rst
  ixpk= 1084, nxpk= 20, iat= 462, 466, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 LEU  HA           29 VAL  HB          3.50    (#   1085:20  Unique         1.98, 2.66 A)
 &rst
  ixpk= 1085, nxpk= 20, iat= 408, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HA           29 VAL  HB          3.50    (#   1086:20  Unique         2.51, 2.73 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 464, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1087    29 VAL  HB          2.80    (#   1087:20  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1, 466, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
       420, 421,
 &end
#
#    0 AMB  20-2:1088    29 VAL  HB          2.80    (#   1088:20  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1, 466, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
       112, 113,
 &end
#
#   24 ILE  QG2          29 VAL  HB          4.50    (#   1089:20  Unique         2.01, 4.37 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1, 466, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 379, 380, 381,
 &end
#
#   76 LYS  HN           76 LYS  HB+         3.50    (#   1090:20  Unique         2.06, 2.98 A)
 &rst
  ixpk= 1090, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1168,1169,
 &end
#
#   76 LYS  HN           76 LYS  HB-         3.50    (#   1091:20  Unique         2.06, 2.98 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1168,1169,
 &end
#
#   28 GLU  HN           28 GLU  HB+         4.50    (#   1093:20  Unique         2.11, 2.98 A)
 &rst
  ixpk= 1093, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 451, 452,
 &end
#
#   28 GLU  HA           28 GLU  HB+         3.50    (#   1094:20  Unique         2.26, 2.77 A)
 &rst
  ixpk= 1094, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 451, 452,
 &end
#
#   24 ILE  QG2          28 GLU  HB+         4.50    (#   1095:20  Unique         1.97, 3.59 A)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 379, 380, 381,
 igr2= 451, 452,
 &end
#
#   32 ARG  HD-          28 GLU  HB+         3.50    (#   1096:20  Unique         2.19, 4.43 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 525, 526,
 igr2= 451, 452,
 &end
#
#   28 GLU  HA           28 GLU  HB-         3.50    (#   1097:20  Unique         2.26, 2.77 A)
 &rst
  ixpk= 1097, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 451, 452,
 &end
#
#   25 PRO  HD+          28 GLU  HB-         4.50    (#   1098:20  Unique         2.01, 4.03 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 451, 452,
 &end
#
#   32 ARG  HD-          28 GLU  HB-         4.50    (#   1099:20  Unique         2.19, 4.43 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 525, 526,
 igr2= 451, 452,
 &end
#
#   24 ILE  QG2          28 GLU  HB-         3.50    (#   1100:20  Unique         1.97, 3.59 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 379, 380, 381,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:1101     7 VAL  HB          4.50    (#   1101:20  Single Ambig)
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 466, 121, 122,
 &end
#
#    0 AMB  20-2:1102     7 VAL  HB          2.80    (#   1102:20  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
       473, 474,
 &end
#
#    7 VAL  HA            7 VAL  HB          3.50    (#   1103:20  Unique         2.37, 2.40 A)
 &rst
  ixpk= 1103, nxpk= 20, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 LEU  HA            7 VAL  HB          3.50    (#   1104:20  Unique         2.73, 3.14 A)
 &rst
  ixpk= 1104, nxpk= 20, iat= 408, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  MGX           7 VAL  HB          2.80    (#   1105:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1106     7 VAL  HB          4.50    (#   1106:20  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 466, 121, 122,
 &end
#
#   31 GLU  HA            0 AMB  20-1:1107   2.80    (#   1107:20  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 20, iat= 502,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 504, 505, 504, 505,
 &end
#
#   32 ARG  HN            0 AMB  20-1:1108   3.50    (#   1108:20  Single Ambig)
 &rst
  ixpk= 1108, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 504, 505, 504, 505,
 &end
#
#   31 GLU  HN            0 AMB  20-1:1109   2.80    (#   1109:20  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:1110     0 AMB  20-1:1110   2.80    (#   1110:20  Double Ambig)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 507, 508, 507, 508, 507, 508,
 igr2= 504, 505, 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:1111     0 AMB  20-1:1111   2.80    (#   1111:20  Double Ambig)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 820, 821, 820, 821,
 igr2= 817, 818, 817, 818,
 &end
#
#    4 TRP  HN            4 TRP  HB+         3.50    (#   1112:20  Unique         2.20, 2.97 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=  46,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    4 TRP  HE3           4 TRP  HB+         3.50    (#   1113:20  Unique         2.51, 3.41 A)
 &rst
  ixpk= 1113, nxpk= 20, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    4 TRP  HA            4 TRP  HB+         3.50    (#   1114:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#   21 ALA  HA            4 TRP  HB+         3.50    (#   1115:20  Unique         2.15, 3.05 A)
 &rst
  ixpk= 1115, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#   21 ALA  MB            4 TRP  HB+         3.50    (#   1116:20  Unique         2.00, 3.76 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 334, 335, 336,
 igr2=  50,  51,
 &end
#
#   22 ILE  HG1-          4 TRP  HB+         4.50    (#   1117:20  Unique         4.43, 6.04 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 350, 351,
 igr2=  50,  51,
 &end
#
#   22 ILE  HG1-          4 TRP  HB-         4.50    (#   1118:20  Unique         4.43, 6.04 A)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 350, 351,
 igr2=  50,  51,
 &end
#
#    4 TRP  HN            4 TRP  HB-         3.50    (#   1119:20  Unique         2.20, 2.97 A)
 &rst
  ixpk= 1119, nxpk= 20, iat=  46,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    4 TRP  HA            4 TRP  HB-         3.50    (#   1120:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#   21 ALA  HA            4 TRP  HB-         3.50    (#   1121:20  Unique         2.15, 3.05 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#   26 LEU  HN            7 VAL  HB          4.50    (#   1122:20  Unique         2.81, 3.45 A)
 &rst
  ixpk= 1122, nxpk= 20, iat= 406, 105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1123     7 VAL  HB          3.50    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 410, 411, 893, 894, 895,
 &end
#
#    0 AMB  20-2:1124     7 VAL  HB          3.50    (#   1124:20  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474,
 &end
#
#    0 AMB  20-2:1125     0 AMB  20-1:1125   4.50    (#   1125:20  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 823, 824, 823, 824, 823, 824,
 igr2= 817, 818, 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:1127     0 AMB  20-1:1127   3.50    (#   1127:20  Double Ambig)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1099,1100,1099,1100,
 igr2= 909, 910, 909, 910,
 &end
#
#   58 LYS  HE+          58 LYS  HD-         3.50    (#   1129:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 912, 913,
 igr2= 909, 910,
 &end
#
#   58 LYS  HB+          58 LYS  HD-         3.50    (#   1130:20  Unique         2.00, 3.12 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 903, 904,
 igr2= 909, 910,
 &end
#
#   58 LYS  HG-          58 LYS  HD-         3.50    (#   1131:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 906, 907,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1132     0 AMB  20-1:1132   3.50    (#   1132:20  Double Ambig)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
 igr1= 942, 943, 944,1082,1083,1084,1086,1087,1088, 415,
       416, 417, 419, 420, 421,
 igr2= 488, 489, 488, 489, 909, 910, 488, 489,
 &end
#
#   58 LYS  HB+          58 LYS  HD+         2.80    (#   1133:20  Unique         2.00, 3.12 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 903, 904,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1134     9 VAL  HB          2.80    (#   1134:20  Single Ambig)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 158, 159, 158, 159,
 &end
#
#    9 VAL  MGY           9 VAL  HB          2.80    (#   1135:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1136     0 AMB  20-1:1136   2.80    (#   1136:20  Double Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 839, 143,
 igr2= 841, 842, 145,
 &end
#
#    9 VAL  MGX           9 VAL  HB          2.80    (#   1137:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1138     0 AMB  20-1:1138   3.50    (#   1138:20  Double Ambig)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 178, 179, 178, 179, 844, 845,
 igr2= 145, 841, 842,
 &end
#
#    7 VAL  MGX          53 GLN  HB+         4.50    (#   1139:20  Unique         2.00, 6.06 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 841, 842,
 &end
#
#   53 GLN  HA           53 GLN  HB-         3.50    (#   1140:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 841, 842,
 &end
#
#    0 AMB  20-2:1141     0 AMB  20-1:1141   2.80    (#   1141:20  Double Ambig)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.20, r4= 7.95,
 igr1=1177,1178,1177,1178,1177,1178, 491, 492, 491, 492,
       491, 492, 438, 439, 438, 439, 438, 439,
 igr2=1174,1175,1174,1175,1174,1175, 488, 489, 488, 489,
       488, 489, 435, 436, 435, 436,
 &end
#
#    1 ALA  MB           68 HIS  HB-         5.50    (#   1142:20  Unique         4.72, 7.09 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=   8,   9,  10,
 igr2=1063,1064,
 &end
#
#   63 GLU  HN            0 AMB  20-1:1144   2.80    (#   1144:20  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 989, 990, 989, 990,
 &end
#
#   64 MET  HN            0 AMB  20-1:1145   3.50    (#   1145:20  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 989, 990, 989, 990,
 &end
#
#   60 ILE  HA            0 AMB  20-1:1146   3.50    (#   1146:20  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 989, 990, 989, 990,
 &end
#
#   60 ILE  HN            0 AMB  20-1:1147   3.50    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 925, 926, 925, 926,
 &end
#
#   59 GLU  HN            0 AMB  20-1:1148   3.50    (#   1148:20  Single Ambig)
 &rst
  ixpk= 1148, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 925, 926, 925, 926,
 &end
#
#   53 GLN  HG-          53 GLN  HB-         2.80    (#   1149:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 844, 845,
 igr2= 841, 842,
 &end
#
#   52 ARG  HG+          53 GLN  HB-         3.50    (#   1150:20  Unique         2.56, 4.64 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 820, 821,
 igr2= 841, 842,
 &end
#
#   26 LEU  MDX          53 GLN  HB-         3.50    (#   1151:20  Unique         2.09, 5.85 A)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 841, 842,
 &end
#
#    7 VAL  MGX          53 GLN  HB-         3.50    (#   1152:20  Unique         2.00, 6.06 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 841, 842,
 &end
#
#    0 AMB  20-2:1153     0 AMB  20-1:1153   2.80    (#   1153:20  Double Ambig)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1= 432, 433, 432, 433, 432, 433,1303,1304,1303,1304,
      1303,1304,
 igr2= 435, 436, 435, 436, 435, 436,1306,1307,1306,1307,
      1306,1307,
 &end
#
#    0 AMB  20-2:1155     0 AMB  20-1:1155   3.50    (#   1155:20  Double Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1154,1155,1156,1158,1159,1160,1265,1266,
 igr2=1268,1269,1268,1269,
 &end
#
#   82 LYS  HE+          82 LYS  HD+         3.50    (#   1156:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#   82 LYS  HE-          82 LYS  HD+         4.50    (#   1157:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#   16 GLU  HG-          82 LYS  HD+         2.80    (#   1158:20  Unique         2.25, 3.84 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 265, 266,
 igr2=1268,1269,
 &end
#
#   82 LYS  HE-          82 LYS  HD-         4.50    (#   1159:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#    0 AMB  20-2:1160     0 AMB  20-1:1160   3.50    (#   1160:20  Double Ambig)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 647, 648, 647, 648,
 igr2= 644, 645, 644, 645,
 &end
#
#   40 LYS  HG-          40 LYS  HD+         3.50    (#   1161:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 644, 645,
 &end
#
#    0 AMB  20-2:1162    40 LYS  HD-         3.50    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 647, 648, 647, 648,
 igr2= 644, 645,
 &end
#
#   40 LYS  HB+          40 LYS  HD-         3.50    (#   1163:20  Unique         1.99, 2.92 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 638, 639,
 igr2= 644, 645,
 &end
#
#   40 LYS  HG-          40 LYS  HD-         3.50    (#   1164:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 644, 645,
 &end
#
#   68 HIS  HN           68 HIS  HB+         4.50    (#   1165:20  Unique         2.53, 3.32 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1063,1064,
 &end
#
#   68 HIS  HA           68 HIS  HB+         3.50    (#   1166:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=1061,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1063,1064,
 &end
#
#   43 THR  MG2          68 HIS  HB+         4.50    (#   1167:20  Unique         3.59, 5.47 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690,
 igr2=1063,1064,
 &end
#
#   68 HIS  HN           68 HIS  HB-         3.50    (#   1168:20  Unique         2.53, 3.32 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1063,1064,
 &end
#
#   63 GLU  HA            0 AMB  20-1:1170   2.80    (#   1170:20  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 20, iat= 987,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:1171     0 AMB  20-1:1171   3.50    (#   1171:20  Double Ambig)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1007,1008,1007,1008,
 igr2= 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:1172     0 AMB  20-1:1172   3.50    (#   1172:20  Double Ambig)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1007,1008,1004,1005,1004,1005,
 igr2= 989, 990, 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:1173     0 AMB  20-1:1173   2.80    (#   1173:20  Double Ambig)
 &rst
  ixpk= 1173, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
 igr1= 992, 993, 992, 993, 248, 249, 928, 929, 928, 929,
       992, 993,
 igr2= 989, 990, 989, 990, 245, 246, 245, 246, 925, 926,
       925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:1174     0 AMB  20-1:1174   4.50    (#   1174:20  Double Ambig)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 884, 885, 884, 885,
 igr2= 925, 926, 925, 926,
 &end
#
#   60 ILE  HG1-          0 AMB  20-1:1175   4.50    (#   1175:20  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 946, 947,
 igr2= 925, 926, 925, 926,
 &end
#
#   58 LYS  HB-           0 AMB  20-1:1176   4.50    (#   1176:20  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 903, 904,
 igr2= 925, 926, 925, 926,
 &end
#
#   19 GLN  HN           19 GLN  HB+         3.50    (#   1180:20  Unique         2.09, 2.56 A)
 &rst
  ixpk= 1180, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:1181     0 AMB  20-1:1181   3.50    (#   1181:20  Double Ambig)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 308, 891,
 igr2= 310, 311, 946, 947,
 &end
#
#    0 AMB  20-2:1182     0 AMB  20-1:1182   2.80    (#   1182:20  Double Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 313, 314, 925, 926, 925, 926,
 igr2= 310, 311, 946, 947,
 &end
#
#   19 GLN  HG+          19 GLN  HB-         2.80    (#   1183:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 313, 314,
 igr2= 310, 311,
 &end
#
#   83 VAL  MGX          19 GLN  HB-         4.50    (#   1184:20  Unique         2.06, 5.55 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 310, 311,
 &end
#
#   19 GLN  HN           19 GLN  HB-         3.50    (#   1185:20  Unique         2.09, 2.56 A)
 &rst
  ixpk= 1185, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#   19 GLN  HA           19 GLN  HB-         3.50    (#   1186:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1186, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:1188    82 LYS  HD-         3.50    (#   1188:20  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1154,1155,1156,1158,1159,1160,1265,1266,
 igr2=1268,1269,
 &end
#
#   82 LYS  HE+          82 LYS  HD-         3.50    (#   1190:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#   45 LYS  HE+          45 LYS  HD+         3.50    (#   1191:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 725, 726,
 igr2= 722, 723,
 &end
#
#   45 LYS  HE-          45 LYS  HD-         4.50    (#   1192:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 725, 726,
 igr2= 722, 723,
 &end
#
#   60 ILE  QD1          56 GLN  HB+         3.50    (#   1194:20  Unique         2.23, 4.77 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 949, 950, 951,
 igr2= 876, 877,
 &end
#
#   16 GLU  HN            0 AMB  20-1:1195   3.50    (#   1195:20  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 245, 246, 245, 246,
 &end
#
#   15 GLN  HN            0 AMB  20-1:1196   2.80    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 245, 246, 245, 246,
 &end
#
#   11 GLU  HA            0 AMB  20-1:1197   2.80    (#   1197:20  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 175, 176, 175, 176,
 &end
#
#    0 AMB  20-2:1198     0 AMB  20-1:1198   2.80    (#   1198:20  Double Ambig)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 178, 179, 178, 179, 178, 179,
 igr2= 175, 176, 175, 176, 175, 176,
 &end
#
#   11 GLU  HN            0 AMB  20-1:1199   3.50    (#   1199:20  Single Ambig)
 &rst
  ixpk= 1199, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 175, 176, 175, 176,
 &end
#
#   11 GLU  HA            0 AMB  20-1:1200   2.80    (#   1200:20  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 175, 176, 175, 176,
 &end
#
#    0 AMB  20-2:1201     0 AMB  20-1:1201   2.80    (#   1201:20  Double Ambig)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 178, 179, 178, 179, 178, 179,
 igr2= 175, 176, 175, 176, 175, 176,
 &end
#
#    9 VAL  MGX           0 AMB  20-1:1202   5.50    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 175, 176, 175, 176,
 &end
#
#    0 AMB  20-2:1203     0 AMB  20-1:1203   3.50    (#   1203:20  Double Ambig)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 938,1245,1246,
 igr2= 946, 947, 310, 311,
 &end
#
#    0 AMB  20-2:1204    60 ILE  HG1-        2.80    (#   1204:20  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 949, 950, 951, 942, 943, 944,
 igr2= 946, 947,
 &end
#
#   60 ILE  HN           60 ILE  HG1-        3.50    (#   1205:20  Unique         1.95, 2.78 A)
 &rst
  ixpk= 1205, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 946, 947,
 &end
#
#    0 AMB  20-2:1206     0 AMB  20-1:1206   3.50    (#   1206:20  Double Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 636, 938,
 igr2= 644, 645, 946, 947,
 &end
#
#    0 AMB  20-2:1207     0 AMB  20-1:1207   2.80    (#   1207:20  Double Ambig)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 949, 950, 951, 942, 943, 944,
 igr2= 946, 947, 946, 947,
 &end
#
#   60 ILE  HN           60 ILE  HG1+        3.50    (#   1208:20  Unique         1.95, 2.78 A)
 &rst
  ixpk= 1208, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 946, 947,
 &end
#
#   53 GLN  HB+          48 CYS  HB+         5.50    (#   1209:20  Unique         3.27, 4.52 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 841, 842,
 igr2= 775, 776,
 &end
#
#    8 ARG  HG-          48 CYS  HB+         4.50    (#   1210:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125,
 igr2= 775, 776,
 &end
#
#    7 VAL  MGX          48 CYS  HB+         3.50    (#   1211:20  Unique         2.06, 5.84 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 775, 776,
 &end
#
#   53 GLN  HB+          48 CYS  HB-         4.50    (#   1213:20  Unique         3.27, 4.52 A)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 841, 842,
 igr2= 775, 776,
 &end
#
#    7 VAL  MGX          48 CYS  HB-         3.50    (#   1214:20  Unique         2.06, 5.84 A)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 775, 776,
 &end
#
#   57 ALA  HN           56 GLN  HB+         4.50    (#   1215:20  Unique         2.38, 3.18 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#   56 GLN  HN           56 GLN  HB+         3.50    (#   1216:20  Unique         2.10, 2.64 A)
 &rst
  ixpk= 1216, nxpk= 20, iat= 872,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 876, 877,
 &end
#
#   53 GLN  HA           56 GLN  HB+         4.50    (#   1217:20  Unique         2.40, 3.30 A)
 &rst
  ixpk= 1217, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#   56 GLN  HA           56 GLN  HB+         3.50    (#   1218:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 1218, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 876, 877,
 &end
#
#   56 GLN  HG+          56 GLN  HB+         2.80    (#   1219:20  Unique         2.25, 2.59 A)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 879, 880,
 igr2= 876, 877,
 &end
#
#   26 LEU  MDX          56 GLN  HB+         4.50    (#   1220:20  Unique         2.00, 5.25 A)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 876, 877,
 &end
#
#   12 GLN  HA            0 AMB  20-1:1221   2.80    (#   1221:20  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 245, 246, 245, 246,
 &end
#
#   57 ALA  HN           56 GLN  HB-         4.50    (#   1222:20  Unique         2.38, 3.18 A)
 &rst
  ixpk= 1222, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#    0 AMB  20-2:1223     0 AMB  20-1:1223   2.80    (#   1223:20  Double Ambig)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 188, 874,
 igr2= 190, 191, 190, 191, 876, 877,
 &end
#
#    0 AMB  20-2:1224     0 AMB  20-1:1224   3.50    (#   1224:20  Double Ambig)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 147, 148, 149, 151, 152, 153, 415, 416, 417, 419,
       420, 421,
 igr2= 190, 191, 190, 191, 876, 877,
 &end
#
#   26 LEU  MDY          56 GLN  HB-         3.50    (#   1225:20  Unique         2.00, 5.25 A)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 876, 877,
 &end
#
#   12 GLN  HN            0 AMB  20-1:1226   3.50    (#   1226:20  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 190, 191, 190, 191,
 &end
#
#   15 GLN  HN            0 AMB  20-1:1227   3.50    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 228, 229, 228, 229,
 &end
#
#   14 GLN  HN            0 AMB  20-1:1228   3.50    (#   1228:20  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 228, 229, 228, 229,
 &end
#
#   12 GLN  HN            0 AMB  20-1:1229   3.50    (#   1229:20  Single Ambig)
 &rst
  ixpk= 1229, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 190, 191, 190, 191,
 &end
#
#   11 GLU  HA            0 AMB  20-1:1230   4.50    (#   1230:20  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 228, 229, 228, 229,
 &end
#
#   14 GLN  HN            0 AMB  20-1:1231   3.50    (#   1231:20  Single Ambig)
 &rst
  ixpk= 1231, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 228, 229, 228, 229,
 &end
#
#   15 GLN  HN            0 AMB  20-1:1232   3.50    (#   1232:20  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 228, 229, 228, 229,
 &end
#
#   14 GLN  HA            0 AMB  20-1:1233   3.50    (#   1233:20  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 228, 229, 228, 229,
 &end
#
#   61 LEU  MDY          61 LEU  HG          2.80    (#   1234:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#   10 PRO  HA            0 AMB  20-1:1236   4.50    (#   1236:20  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr2= 161, 162, 190, 191, 190, 191, 228, 229,
 &end
#
#    0 AMB  20-2:1237     0 AMB  20-1:1237   2.80    (#   1237:20  Double Ambig)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 158, 159, 158, 159,
 igr2= 161, 162, 161, 162,
 &end
#
#    9 VAL  HA           25 PRO  HG+         4.50    (#   1238:20  Unique         4.07, 4.81 A)
 &rst
  ixpk= 1238, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:1239     0 AMB  20-1:1239   2.80    (#   1239:20  Double Ambig)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 158, 159, 158, 159,
 igr2= 396, 397, 396, 397,
 &end
#
#   25 PRO  HD+          25 PRO  HG+         3.50    (#   1240:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   25 PRO  HD-          25 PRO  HG+         3.50    (#   1241:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   25 PRO  HB-          25 PRO  HG+         2.80    (#   1242:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 399, 400,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:1243     0 AMB  20-1:1243   4.50    (#   1243:20  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1254, 143,
 igr2=1248,1249, 396, 397, 161, 162,
 &end
#
#   81 PRO  HD-          81 PRO  HG+         3.50    (#   1244:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1245,1246,
 igr2=1248,1249,
 &end
#
#   81 PRO  HB+          81 PRO  HG+         2.80    (#   1245:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1251,1252,
 igr2=1248,1249,
 &end
#
#    0 AMB  20-2:1246     0 AMB  20-1:1246   2.80    (#   1246:20  Double Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 435, 436, 435, 436,1251,1252,
 igr2= 396, 397, 396, 397,1248,1249,
 &end
#
#    0 AMB  20-2:1247    10 PRO  HG-         2.80    (#   1247:20  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 158, 159, 158, 159,
 igr2= 161, 162,
 &end
#
#    0 AMB  20-2:1248     0 AMB  20-1:1248   2.80    (#   1248:20  Double Ambig)
 &rst
  ixpk= 1248, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1245,1246,  91,
 igr2=1248,1249, 124, 125,
 &end
#
#    0 AMB  20-2:1249     0 AMB  20-1:1249   3.50    (#   1249:20  Double Ambig)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 127, 128,1245,1246,
 igr2= 124, 125,1248,1249,
 &end
#
#    0 AMB  20-2:1250     0 AMB  20-1:1250   2.80    (#   1250:20  Double Ambig)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 121, 122,1251,1252,
 igr2= 124, 125,1248,1249,
 &end
#
#    0 AMB  20-2:1251     0 AMB  20-1:1251   2.80    (#   1251:20  Double Ambig)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 451, 452,1251,1252,
 igr2= 396, 397,1248,1249,
 &end
#
#   25 PRO  HB-          25 PRO  HG-         3.50    (#   1252:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 399, 400,
 igr2= 396, 397,
 &end
#
#    9 VAL  HA            0 AMB  20-1:1253   4.50    (#   1253:20  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 396, 397, 124, 125,
 &end
#
#    0 AMB  20-2:1254     0 AMB  20-1:1254   3.50    (#   1254:20  Double Ambig)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 775, 776, 393, 394,
 igr2= 124, 125, 396, 397,
 &end
#
#    0 AMB  20-2:1255     0 AMB  20-1:1255   2.80    (#   1255:20  Double Ambig)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 127, 128, 393, 394,
 igr2= 124, 125, 396, 397,
 &end
#
#    0 AMB  20-2:1256     0 AMB  20-1:1256   2.80    (#   1256:20  Double Ambig)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 451, 452, 190, 191, 190, 191, 399, 400,
 igr2= 396, 397, 124, 125, 124, 125,
 &end
#
#   32 ARG  HA           32 ARG  HG+         3.50    (#   1257:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 1257, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 522, 523,
 &end
#
#   32 ARG  HN           32 ARG  HG+         4.50    (#   1258:20  Unique         3.05, 4.44 A)
 &rst
  ixpk= 1258, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#    0 AMB  20-2:1259     0 AMB  20-1:1259   3.50    (#   1259:20  Double Ambig)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 525, 526, 525, 526,
 igr2= 522, 523, 522, 523,
 &end
#
#    0 AMB  20-2:1260     0 AMB  20-1:1260   3.50    (#   1260:20  Double Ambig)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 522, 523, 522, 523,
 &end
#
#   78 ILE  QG2          78 ILE  HG1-        3.50    (#   1262:20  Unique         2.42, 3.47 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1204,1205,1206,
 igr2=1208,1209,
 &end
#
#   78 ILE  HN           78 ILE  HG1-        3.50    (#   1263:20  Unique         1.95, 2.95 A)
 &rst
  ixpk= 1263, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#   78 ILE  HA           78 ILE  HG1-        3.50    (#   1264:20  Unique         2.55, 2.80 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:1265    78 ILE  HG1-        3.50    (#   1265:20  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1202,1125,1126,1127,
 igr2=1208,1209,
 &end
#
#   78 ILE  QD1          78 ILE  HG1-        2.80    (#   1266:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1211,1212,1213,
 igr2=1208,1209,
 &end
#
#   32 ARG  HN           32 ARG  HG-         4.50    (#   1267:20  Unique         3.05, 4.44 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#   32 ARG  HA           32 ARG  HG-         3.50    (#   1268:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 1268, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 522, 523,
 &end
#
#    0 AMB  20-2:1269    32 ARG  HG-         3.50    (#   1269:20  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 522, 523,
 &end
#
#   61 LEU  HN           61 LEU  HG          3.50    (#   1270:20  Unique         2.02, 2.36 A)
 &rst
  ixpk= 1270, nxpk= 20, iat= 955, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 LEU  HA           61 LEU  HG          3.50    (#   1272:20  Unique         2.77, 2.86 A)
 &rst
  ixpk= 1272, nxpk= 20, iat= 957, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 LEU  HB-          61 LEU  HG          3.50    (#   1273:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 959, 960,
 &end
#
#   78 ILE  HN           78 ILE  HG1+        4.50    (#   1274:20  Unique         1.95, 2.95 A)
 &rst
  ixpk= 1274, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1208,1209,
 &end
#
#   78 ILE  HA           78 ILE  HG1+        3.50    (#   1275:20  Unique         2.55, 2.80 A)
 &rst
  ixpk= 1275, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#   78 ILE  QG2          78 ILE  HG1+        3.50    (#   1276:20  Unique         2.42, 3.47 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1204,1205,1206,
 igr2=1208,1209,
 &end
#
#   78 ILE  QD1          78 ILE  HG1+        3.50    (#   1277:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1211,1212,1213,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:1278     0 AMB  20-1:1278   3.50    (#   1278:20  Double Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1202,1125,1126,1127,
 igr2=1208,1209,1208,1209,
 &end
#
#   10 PRO  HA           10 PRO  HG-         3.50    (#   1279:20  Unique         3.85, 3.94 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 161, 162,
 &end
#
#    8 ARG  HA            8 ARG  HG+         3.50    (#   1280:20  Unique         2.03, 3.04 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 124, 125,
 &end
#
#    0 AMB  20-2:1282     0 AMB  20-1:1282   5.50    (#   1282:20  Double Ambig)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 815, 839,
 igr2= 820, 821, 820, 821,
 &end
#
#    0 AMB  20-2:1283     0 AMB  20-1:1283   2.80    (#   1283:20  Double Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 823, 824, 823, 824, 525, 526,
 igr2= 820, 821, 820, 821, 522, 523,
 &end
#
#    0 AMB  20-2:1284     0 AMB  20-1:1284   2.80    (#   1284:20  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 817, 818, 817, 818, 454, 455,
 igr2= 820, 821, 820, 821, 522, 523,
 &end
#
#    0 AMB  20-2:1285    52 ARG  HG-         4.50    (#   1285:20  Single Ambig)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 815, 839,
 igr2= 820, 821,
 &end
#
#    0 AMB  20-2:1286    52 ARG  HG-         3.50    (#   1286:20  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 823, 824, 823, 824,
 igr2= 820, 821,
 &end
#
#    0 AMB  20-2:1287    52 ARG  HG-         2.80    (#   1287:20  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 817, 818, 817, 818,
 igr2= 820, 821,
 &end
#
#    0 AMB  20-2:1288     0 AMB  20-1:1288   2.80    (#   1288:20  Double Ambig)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 164, 165, 615, 616, 615, 616,
 igr2= 161, 162, 612, 613, 612, 613,
 &end
#
#    0 AMB  20-2:1289     0 AMB  20-1:1289   3.50    (#   1289:20  Double Ambig)
 &rst
  ixpk= 1289, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 618, 167,
 igr2= 612, 613, 612, 613, 161, 162,
 &end
#
#   39 ASP  HN            0 AMB  20-1:1291   3.50    (#   1291:20  Single Ambig)
 &rst
  ixpk= 1291, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 612, 613, 612, 613,
 &end
#
#    0 AMB  20-2:1292     0 AMB  20-1:1292   4.50    (#   1292:20  Double Ambig)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 570, 594,
 igr2= 612, 613, 612, 613, 612, 613,
 &end
#
#    0 AMB  20-2:1293     0 AMB  20-1:1293   2.80    (#   1293:20  Double Ambig)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 609, 610, 609, 610,
 igr2= 612, 613, 612, 613,
 &end
#
#   38 PRO  HD-           0 AMB  20-1:1294   2.80    (#   1294:20  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 609, 610,
 igr2= 612, 613, 612, 613,
 &end
#
#   26 LEU  HA           26 LEU  HG          4.50    (#   1296:20  Unique         2.26, 2.86 A)
 &rst
  ixpk= 1296, nxpk= 20, iat= 408, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1297    26 LEU  HG          2.80    (#   1297:20  Single Ambig)
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474,
 &end
#
#    0 AMB  20-2:1298    26 LEU  HG          2.80    (#   1298:20  Single Ambig)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474,
 &end
#
#   22 ILE  HB           22 ILE  HG1-        3.50    (#   1299:20  Unique         2.42, 2.51 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 344,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 350, 351,
 &end
#
#   22 ILE  HN           22 ILE  HG1-        3.50    (#   1300:20  Unique         1.94, 3.02 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:1301    22 ILE  HG1-        3.50    (#   1301:20  Single Ambig)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 386, 387, 388,  76,  77,  78,
 igr2= 350, 351,
 &end
#
#   24 ILE  HG1-         22 ILE  HG1-        4.50    (#   1302:20  Unique         4.28, 5.29 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 383, 384,
 igr2= 350, 351,
 &end
#
#   22 ILE  HN           22 ILE  HG1+        3.50    (#   1303:20  Unique         1.94, 3.02 A)
 &rst
  ixpk= 1303, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 350, 351,
 &end
#
#   22 ILE  HB           22 ILE  HG1+        3.50    (#   1304:20  Unique         2.42, 2.51 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 344,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:1305     0 AMB  20-1:1305   2.80    (#   1305:20  Double Ambig)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 353, 354, 355, 346, 347, 348,
 igr2= 350, 351, 350, 351,
 &end
#
#   24 ILE  HG1-         22 ILE  HG1+        4.50    (#   1306:20  Unique         4.28, 5.29 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 383, 384,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:1308     0 AMB  20-1:1308   2.80    (#   1308:20  Double Ambig)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.01, r4= 5.76,
 igr1=1154,1155,1156,1158,1159,1160, 346, 347, 348,1265,
      1266,
 igr2=1152, 350, 351,
 &end
#
#   75 LEU  MDY          75 LEU  HG          3.50    (#   1309:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HB+          75 LEU  HG          3.50    (#   1310:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#   33 ILE  HA           33 ILE  HG1-        3.50    (#   1311:20  Unique         2.41, 3.11 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:1312     0 AMB  20-1:1312   2.80    (#   1312:20  Double Ambig)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 964, 965, 966, 968, 969, 970,  83,  84,  85, 552,
       553, 554,
 igr2= 549, 550, 350, 351,
 &end
#
#    5 ILE  HN            0 AMB  20-1:1313   3.50    (#   1313:20  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  80,  81,  80,  81,
 &end
#
#    5 ILE  HA            0 AMB  20-1:1314   3.50    (#   1314:20  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  80,  81,  80,  81,
 &end
#
#   22 ILE  HG1-          0 AMB  20-1:1315   4.50    (#   1315:20  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 350, 351,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1316     0 AMB  20-1:1316   2.80    (#   1316:20  Double Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=  76,  77,  78, 386, 387, 388,
 igr2=  80,  81,  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1317     0 AMB  20-1:1317   2.80    (#   1317:20  Double Ambig)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  74, 344,
 igr2=  80,  81,  80,  81,  80,  81,
 &end
#
#    5 ILE  HA            0 AMB  20-1:1318   3.50    (#   1318:20  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  80,  81,  80,  81,
 &end
#
#    5 ILE  HN            0 AMB  20-1:1319   4.50    (#   1319:20  Single Ambig)
 &rst
  ixpk= 1319, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1320     0 AMB  20-1:1320   2.80    (#   1320:20  Double Ambig)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  74, 344,
 igr2=  80,  81,  80,  81,  80,  81,
 &end
#
#   33 ILE  QG2          33 ILE  HG1+        3.50    (#   1321:20  Unique         2.09, 3.14 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 545, 546, 547,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:1322     0 AMB  20-1:1322   2.80    (#   1322:20  Double Ambig)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2= 549, 550, 549, 550,
 &end
#
#   26 LEU  MDX          26 LEU  HG          2.80    (#   1323:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#   33 ILE  QG2          33 ILE  HG1-        2.80    (#   1324:20  Unique         2.09, 3.14 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 545, 546, 547,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:1325    33 ILE  HG1-        3.50    (#   1325:20  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 596, 959, 960,
 igr2= 549, 550,
 &end
#
#   26 LEU  HG           26 LEU  MDX         3.50    (#   1326:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   16 GLU  HB+          75 LEU  MDX         4.50    (#   1327:20  Unique         2.09, 5.84 A)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 262, 263,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HB+          75 LEU  MDX         3.50    (#   1328:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1149,1150,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1329    75 LEU  MDX         3.50    (#   1329:20  Single Ambig)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 265, 266, 262, 263,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1330    75 LEU  MDX         2.80    (#   1330:20  Single Ambig)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1152,1202,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1334     0 AMB  20-1:1334   3.50    (#   1334:20  Double Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 596, 543,
 igr2= 549, 550, 549, 550,
 &end
#
#    0 AMB  20-2:1335    24 ILE  HG1-        2.80    (#   1335:20  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 346, 347, 348, 468, 469, 470, 472, 473, 474,
 igr2= 383, 384,
 &end
#
#   24 ILE  HA           24 ILE  HG1-        4.50    (#   1336:20  Unique         2.66, 3.32 A)
 &rst
  ixpk= 1336, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 383, 384,
 &end
#
#   24 ILE  HB           24 ILE  HG1-        3.50    (#   1337:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1337, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:1338    24 ILE  HG1-        2.80    (#   1338:20  Single Ambig)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  76,  77,  78, 386, 387, 388, 379, 380, 381,
 igr2= 383, 384,
 &end
#
#   53 GLN  HA           26 LEU  MDX         4.50    (#   1339:20  Unique         2.98, 5.69 A)
 &rst
  ixpk= 1339, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1340    26 LEU  MDX         5.50    (#   1340:20  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 408, 891,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   53 GLN  HB+          26 LEU  MDX         4.50    (#   1341:20  Unique         2.09, 5.85 A)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 841, 842,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   56 GLN  HB+          26 LEU  MDX         3.50    (#   1342:20  Unique         2.00, 5.25 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 876, 877,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   56 GLN  HB-          26 LEU  MDX         3.50    (#   1343:20  Unique         2.00, 5.25 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 876, 877,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1344    26 LEU  MDX         3.50    (#   1344:20  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 410, 411, 841, 842,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1345    26 LEU  MDX         3.50    (#   1345:20  Single Ambig)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 893, 894, 895, 410, 411,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   24 ILE  HA           24 ILE  HG1+        3.50    (#   1346:20  Unique         2.66, 3.32 A)
 &rst
  ixpk= 1346, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 383, 384,
 &end
#
#   22 ILE  HB           24 ILE  HG1+        5.50    (#   1347:20  Unique         1.99, 3.02 A)
 &rst
  ixpk= 1347, nxpk= 20, iat= 344,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 383, 384,
 &end
#
#   24 ILE  HB           24 ILE  HG1+        3.50    (#   1348:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1348, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:1349     0 AMB  20-1:1349   2.80    (#   1349:20  Double Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=  76,  77,  78, 386, 387, 388, 379, 380, 381,
 igr2= 383, 384, 383, 384, 383, 384,
 &end
#
#   53 GLN  HG-          26 LEU  MDX         4.50    (#   1350:20  Unique         2.00, 4.85 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 844, 845,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   56 GLN  HB-          26 LEU  MDX         4.50    (#   1351:20  Unique         2.00, 5.25 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 876, 877,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1352    26 LEU  MDX         5.50    (#   1352:20  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 410, 411, 940,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   26 LEU  HG           26 LEU  MDX         3.50    (#   1353:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1353, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1354     0 AMB  20-1:1354   3.50    (#   1354:20  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 491, 492, 491, 492,
 igr2= 485, 486, 485, 486,
 &end
#
#   30 LYS  HA           30 LYS  HG+         4.50    (#   1356:20  Unique         2.03, 2.66 A)
 &rst
  ixpk= 1356, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 485, 486,
 &end
#
#   60 ILE  QG2          30 LYS  HG+         3.50    (#   1357:20  Unique         2.01, 3.16 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 942, 943, 944,
 igr2= 485, 486,
 &end
#
#   30 LYS  HN           30 LYS  HG+         4.50    (#   1358:20  Unique         3.40, 4.12 A)
 &rst
  ixpk= 1358, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 485, 486,
 &end
#
#   30 LYS  HA           30 LYS  HG-         4.50    (#   1359:20  Unique         2.03, 2.66 A)
 &rst
  ixpk= 1359, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 485, 486,
 &end
#
#   40 LYS  HN           40 LYS  HG+         3.50    (#   1362:20  Unique         2.09, 3.32 A)
 &rst
  ixpk= 1362, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 641, 642,
 &end
#
#   40 LYS  HA           40 LYS  HG+         4.50    (#   1363:20  Unique         2.13, 2.86 A)
 &rst
  ixpk= 1363, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#    0 AMB  20-2:1364     0 AMB  20-1:1364   3.50    (#   1364:20  Double Ambig)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 647, 648, 647, 648,
 igr2= 641, 642, 641, 642,
 &end
#
#   40 LYS  HB+          40 LYS  HG+         3.50    (#   1365:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
#   45 LYS  HE+          45 LYS  HG+         4.50    (#   1367:20  Unique         2.01, 3.05 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 725, 726,
 igr2= 719, 720,
 &end
#
#   45 LYS  HN           45 LYS  HG-         4.50    (#   1368:20  Unique         2.46, 3.19 A)
 &rst
  ixpk= 1368, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 719, 720,
 &end
#
#   45 LYS  HE+          45 LYS  HG-         3.50    (#   1369:20  Unique         2.01, 3.05 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 725, 726,
 igr2= 719, 720,
 &end
#
#   45 LYS  HA           45 LYS  HG-         4.50    (#   1370:20  Unique         2.05, 3.00 A)
 &rst
  ixpk= 1370, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 719, 720,
 &end
#
#   40 LYS  HA           40 LYS  HG-         3.50    (#   1371:20  Unique         2.13, 2.86 A)
 &rst
  ixpk= 1371, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 641, 642,
 &end
#
#    0 AMB  20-2:1372    40 LYS  HG-         3.50    (#   1372:20  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 647, 648, 647, 648,
 igr2= 641, 642,
 &end
#
#   40 LYS  HB+          40 LYS  HG-         3.50    (#   1373:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
#   40 LYS  HB-          40 LYS  HG-         4.50    (#   1375:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
#   61 LEU  MDY          30 LYS  HG+         3.50    (#   1376:20  Unique         3.37, 6.42 A)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 485, 486,
 &end
#
#   27 LYS  HN            0 AMB  20-1:1377   3.50    (#   1377:20  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 432, 433, 432, 433,
 &end
#
#    0 AMB  20-2:1378     0 AMB  20-1:1378   3.50    (#   1378:20  Double Ambig)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 427, 594,
 igr2= 432, 433, 432, 433, 598, 599, 600, 602, 603, 604,
      
 &end
#
#    0 AMB  20-2:1379     0 AMB  20-1:1379   3.50    (#   1379:20  Double Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.72, r4= 7.47,
 igr1=1265,1266, 545, 546, 547,
 igr2=1303,1304,1303,1304, 598, 599, 600, 602, 603, 604,
      
 &end
#
#    0 AMB  20-2:1380     0 AMB  20-1:1380   3.50    (#   1380:20  Double Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
 igr1= 438, 439, 438, 439, 438, 439, 674, 675,
 igr2= 432, 433, 432, 433, 432, 433, 598, 599, 600, 602,
       603, 604,
 &end
#
#    0 AMB  20-2:1381     0 AMB  20-1:1381   2.80    (#   1381:20  Double Ambig)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
 igr1= 396, 397, 265, 266, 265, 266,1300,1301,1300,1301,
       429, 430, 429, 430,
 igr2= 432, 433, 432, 433,1303,1304,1303,1304,1303,1304,
       432, 433,
 &end
#
#    0 AMB  20-2:1382     0 AMB  20-1:1382   3.50    (#   1382:20  Double Ambig)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
 igr1= 491, 492, 491, 492,1309,1310,1309,1310,1309,1310,
      1271,1272,
 igr2= 485, 486,1303,1304,1303,1304,1303,1304,1265,1266,
      
 &end
#
#   58 LYS  HA           58 LYS  HG+         3.50    (#   1384:20  Unique         2.02, 2.99 A)
 &rst
  ixpk= 1384, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1385     0 AMB  20-1:1385   3.50    (#   1385:20  Double Ambig)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 912, 913, 912, 913,
 igr2= 906, 907, 906, 907,
 &end
#
#   58 LYS  HB+          58 LYS  HG+         3.50    (#   1386:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 903, 904,
 igr2= 906, 907,
 &end
#
#   58 LYS  HA           58 LYS  HG-         3.50    (#   1387:20  Unique         2.02, 2.99 A)
 &rst
  ixpk= 1387, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 906, 907,
 &end
#
#   69 VAL  HB           58 LYS  HG-         4.50    (#   1388:20  Unique         2.01, 3.56 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=1080,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1389    58 LYS  HG-         2.80    (#   1389:20  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 906, 907,
 &end
#
#   45 LYS  HA           45 LYS  HG+         3.50    (#   1391:20  Unique         2.05, 3.00 A)
 &rst
  ixpk= 1391, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 719, 720,
 &end
#
#    0 AMB  20-2:1392    61 LEU  MDY         3.50    (#   1392:20  Single Ambig)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 549, 550, 959, 960,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1393    61 LEU  MDY         2.80    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1= 702, 703, 704, 706, 707, 708, 740, 741, 742, 744,
       745, 746,1082,1083,1084,1086,1087,1088,1082,1083,
      1084,1086,1087,1088,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1394    61 LEU  MDY         4.50    (#   1394:20  Single Ambig)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 955, 539,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HA           61 LEU  MDY         4.50    (#   1395:20  Unique         2.46, 3.98 A)
 &rst
  ixpk= 1395, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1396    61 LEU  MDY         4.50    (#   1396:20  Single Ambig)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 480, 901,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1397    61 LEU  MDY         3.50    (#   1397:20  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 959, 960, 543, 700,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HG           61 LEU  MDY         3.50    (#   1398:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1398, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1399     0 AMB  20-1:1399   3.50    (#   1399:20  Double Ambig)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 893, 894, 895,1125,1126,1127,
 igr2= 964, 965, 966, 968, 969, 970, 719, 720,
 &end
#
#    0 AMB  20-2:1400     0 AMB  20-1:1400   3.50    (#   1400:20  Double Ambig)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1= 262, 263, 262, 263, 451, 452, 451, 452,
 igr2=1303,1304,1303,1304, 432, 433, 432, 433,
 &end
#
#    0 AMB  20-2:1401     0 AMB  20-1:1401   2.80    (#   1401:20  Double Ambig)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
 igr1=1300,1301, 435, 436, 435, 436, 435, 436,1306,1307,
      1306,1307,
 igr2=1303,1304,1303,1304, 432, 433, 432, 433, 432, 433,
      1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:1402     0 AMB  20-1:1402   3.50    (#   1402:20  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1296, 622,
 igr2=1303,1304,1303,1304, 598, 599, 600, 602, 603, 604,
      
 &end
#
#   16 GLU  HA            0 AMB  20-1:1403   5.50    (#   1403:20  Single Ambig)
 &rst
  ixpk= 1403, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1303,1304,1303,1304,
 &end
#
#   84 LYS  HA            0 AMB  20-1:1404   3.50    (#   1404:20  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1303,1304,1303,1304,
 &end
#
#   58 LYS  HB+          58 LYS  HG-         3.50    (#   1406:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 903, 904,
 igr2= 906, 907,
 &end
#
#   58 LYS  HD+          58 LYS  HG-         3.50    (#   1407:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 909, 910,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1408    58 LYS  HG-         2.80    (#   1408:20  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 903, 904, 909, 910,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1409    58 LYS  HG-         3.50    (#   1409:20  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 912, 913, 912, 913,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1411    61 LEU  MDX         4.50    (#   1411:20  Single Ambig)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 955, 539,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HA           61 LEU  MDX         3.50    (#   1412:20  Unique         2.46, 3.98 A)
 &rst
  ixpk= 1412, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   64 MET  ME           61 LEU  MDX         5.50    (#   1413:20  Unique         2.00, 5.31 A)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1011,1012,1013,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1414    61 LEU  MDX         3.50    (#   1414:20  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960, 543,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HG           61 LEU  MDX         3.50    (#   1415:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1415, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1416    61 LEU  MDX         3.50    (#   1416:20  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 549, 550, 959, 960,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   33 ILE  QG2          61 LEU  MDX         2.80    (#   1417:20  Unique         2.00, 4.74 A)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 545, 546, 547,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1418    61 LEU  MDX         2.80    (#   1418:20  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
       112, 113,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1419    61 LEU  MDX         2.80    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 549, 550, 740, 741, 742, 744, 745, 746,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1420     0 AMB  20-1:1420   3.50    (#   1420:20  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 478, 539,1280,
 igr2= 468, 469, 470, 472, 473, 474,1265,1266,
 &end
#
#   29 VAL  HN           29 VAL  MGY         3.50    (#   1421:20  Unique         2.00, 3.93 A)
 &rst
  ixpk= 1421, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   26 LEU  HA           29 VAL  MGY         2.80    (#   1422:20  Unique         2.00, 3.72 A)
 &rst
  ixpk= 1422, nxpk= 20, iat= 408,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HA           29 VAL  MGY         3.50    (#   1423:20  Unique         2.03, 3.30 A)
 &rst
  ixpk= 1423, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HB           29 VAL  MGY         2.80    (#   1424:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1424, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1425    29 VAL  MGY         3.50    (#   1425:20  Single Ambig)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 543, 519, 520, 482, 483,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1426    29 VAL  MGY         2.80    (#   1426:20  Single Ambig)
 &rst
  ixpk= 1426, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=  76,  77,  78, 386, 387, 388, 379, 380, 381,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    7 VAL  HB           29 VAL  MGY         4.50    (#   1427:20  Unique         2.70, 5.03 A)
 &rst
  ixpk= 1427, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   47 TYR  HE           75 LEU  MDY         3.50    (#   1428:20  Unique         2.00, 5.46 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 760, 765,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   17 HIS  HA           75 LEU  MDY         3.50    (#   1429:20  Unique         2.38, 4.24 A)
 &rst
  ixpk= 1429, nxpk= 20, iat= 275,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HA           75 LEU  MDY         3.50    (#   1430:20  Unique         2.00, 3.88 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   82 LYS  HE+          75 LEU  MDY         4.50    (#   1431:20  Unique         2.00, 4.62 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1271,1272,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   82 LYS  HE-          75 LEU  MDY         3.50    (#   1432:20  Unique         2.00, 4.62 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1271,1272,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HB+          75 LEU  MDY         4.50    (#   1433:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1149,1150,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1434    75 LEU  MDY         4.50    (#   1434:20  Single Ambig)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 265, 266, 262, 263,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1435    75 LEU  MDY         2.80    (#   1435:20  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1152,1202,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   18 VAL  MGY          75 LEU  MDY         3.50    (#   1436:20  Unique         2.11, 6.27 A)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1437     0 AMB  20-1:1437   2.80    (#   1437:20  Double Ambig)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1168,1169,1168,1169,1168,1169,
 igr2=1171,1172,1171,1172,1171,1172,
 &end
#
#   76 LYS  HN            0 AMB  20-1:1438   4.50    (#   1438:20  Single Ambig)
 &rst
  ixpk= 1438, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1171,1172,1171,1172,
 &end
#
#   77 ASP  HN            0 AMB  20-1:1439   4.50    (#   1439:20  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1171,1172,1171,1172,
 &end
#
#    0 AMB  20-2:1440     0 AMB  20-1:1440   3.50    (#   1440:20  Double Ambig)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1177,1178,1177,1178,1177,1178,
 igr2=1171,1172,1171,1172,1171,1172,
 &end
#
#   57 ALA  HN           26 LEU  MDY         3.50    (#   1441:20  Unique         2.32, 4.71 A)
 &rst
  ixpk= 1441, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1442    26 LEU  MDY         2.80    (#   1442:20  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 408, 891,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   56 GLN  HB+          26 LEU  MDY         3.50    (#   1443:20  Unique         2.00, 5.25 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 876, 877,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   56 GLN  HB-          26 LEU  MDY         3.50    (#   1444:20  Unique         2.00, 5.25 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 876, 877,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   26 LEU  HG           26 LEU  MDY         2.80    (#   1445:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1445, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1446    26 LEU  MDY         2.80    (#   1446:20  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 893, 894, 895, 410, 411,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   68 HIS  HN           69 VAL  MGY         4.50    (#   1449:20  Unique         2.68, 4.80 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   69 VAL  HN           69 VAL  MGY         3.50    (#   1450:20  Unique         1.94, 3.63 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   62 SER  HA           69 VAL  MGY         4.50    (#   1452:20  Unique         2.00, 4.26 A)
 &rst
  ixpk= 1452, nxpk= 20, iat= 976,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1453    69 VAL  MGY         4.50    (#   1453:20  Single Ambig)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 978, 979, 978, 979,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   66 TYR  HB+          69 VAL  MGY         3.50    (#   1454:20  Unique         2.01, 4.61 A)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1028,1029,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   66 TYR  HB-          69 VAL  MGY         3.50    (#   1455:20  Unique         2.01, 4.61 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1028,1029,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   46 VAL  HN           46 VAL  MGY         3.50    (#   1456:20  Unique         1.95, 3.32 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HA           46 VAL  MGY         3.50    (#   1457:20  Unique         2.20, 3.45 A)
 &rst
  ixpk= 1457, nxpk= 20, iat= 736,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1458    46 VAL  MGY         4.50    (#   1458:20  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 858, 859, 856,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1459    46 VAL  MGY         2.80    (#   1459:20  Single Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  74, 738,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   57 ALA  MB           46 VAL  MGY         3.50    (#   1460:20  Unique         2.09, 4.60 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894, 895,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   61 LEU  MDY          46 VAL  MGY         2.80    (#   1461:20  Unique         2.38, 6.17 A)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   18 VAL  HN           18 VAL  MGY         3.50    (#   1462:20  Unique         1.95, 3.81 A)
 &rst
  ixpk= 1462, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   18 VAL  HA           18 VAL  MGY         3.50    (#   1464:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 1464, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   82 LYS  HE-          18 VAL  MGY         4.50    (#   1465:20  Unique         2.69, 5.77 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1271,1272,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   21 ALA  MB           18 VAL  MGY         3.50    (#   1466:20  Unique         2.63, 5.67 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 334, 335, 336,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   18 VAL  HB           18 VAL  MGY         2.80    (#   1467:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1467, nxpk= 20, iat= 294,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1468    18 VAL  MGY         3.50    (#   1468:20  Single Ambig)
 &rst
  ixpk= 1468, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1265,1266,1231,1232,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   75 LEU  MDY          18 VAL  MGY         2.80    (#   1469:20  Unique         2.11, 6.27 A)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   78 ILE  QD1          18 VAL  MGY         3.50    (#   1470:20  Unique         2.02, 5.43 A)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1211,1212,1213,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   70 GLU  HN           69 VAL  MGY         4.50    (#   1471:20  Unique         2.15, 4.36 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   62 SER  HN           69 VAL  MGY         4.50    (#   1472:20  Unique         1.95, 4.76 A)
 &rst
  ixpk= 1472, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   69 VAL  HA           69 VAL  MGY         3.50    (#   1473:20  Unique         2.14, 3.27 A)
 &rst
  ixpk= 1473, nxpk= 20, iat=1078,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1474    69 VAL  MGY         2.80    (#   1474:20  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 700,1080,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   61 LEU  HB-          69 VAL  MGY         2.80    (#   1475:20  Unique         2.00, 4.60 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 959, 960,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   61 LEU  MDY          69 VAL  MGY         3.50    (#   1477:20  Unique         2.81, 6.65 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1478    46 VAL  MGY         3.50    (#   1478:20  Single Ambig)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 700,1096,1097,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   73 GLY  HN           46 VAL  MGY         4.50    (#   1481:20  Unique         3.15, 6.38 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   45 LYS  HN           44 VAL  MGX         3.50    (#   1488:20  Unique         2.61, 4.68 A)
 &rst
  ixpk= 1488, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  HN           44 VAL  MGX         5.50    (#   1489:20  Unique         1.96, 3.92 A)
 &rst
  ixpk= 1489, nxpk= 20, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  HA           44 VAL  MGX         3.50    (#   1490:20  Unique         2.08, 3.12 A)
 &rst
  ixpk= 1490, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1491    44 VAL  MGX         4.50    (#   1491:20  Single Ambig)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  33,  34, 674, 675,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1492    44 VAL  MGX         2.80    (#   1492:20  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 700, 596,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   33 ILE  HG1-         44 VAL  MGX         4.50    (#   1493:20  Unique         2.23, 4.64 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 549, 550,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1494    44 VAL  MGX         2.80    (#   1494:20  Single Ambig)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=  80,  81,  80,  81,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1496    44 VAL  MGX         2.80    (#   1496:20  Single Ambig)
 &rst
  ixpk= 1496, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 552, 553, 554,  83,  84,  85,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   37 VAL  MGX          44 VAL  MGX         4.50    (#   1497:20  Unique         2.30, 5.59 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   53 GLN  HE2+          9 VAL  MGY         4.50    (#   1498:20  Unique         1.96, 4.78 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 849, 850,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HN            9 VAL  MGY         3.50    (#   1499:20  Unique         1.95, 3.03 A)
 &rst
  ixpk= 1499, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HA            9 VAL  MGY         3.50    (#   1500:20  Unique         2.13, 3.43 A)
 &rst
  ixpk= 1500, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1501     9 VAL  MGY         3.50    (#   1501:20  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 158, 159, 158, 159,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HB            9 VAL  MGY         2.80    (#   1502:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1502, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   67 THR  HN           67 THR  MG2         3.50    (#   1503:20  Unique         2.27, 3.43 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1051,1052,1053,
 &end
#
#   66 TYR  HA           67 THR  MG2         5.50    (#   1505:20  Unique         3.31, 4.53 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1051,1052,1053,
 &end
#
#    0 AMB  20-2:1506    67 THR  MG2         2.80    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1049,1047,
 igr2=1051,1052,1053,
 &end
#
#   70 GLU  HN            0 AMB  20-1:1507   3.50    (#   1507:20  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
       707, 708,
 &end
#
#   69 VAL  HN           69 VAL  MGX         4.50    (#   1508:20  Unique         1.94, 3.63 A)
 &rst
  ixpk= 1508, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   69 VAL  HA            0 AMB  20-1:1509   3.50    (#   1509:20  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 20, iat=1078,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   58 LYS  HA           69 VAL  MGX         3.50    (#   1510:20  Unique         1.99, 4.18 A)
 &rst
  ixpk= 1510, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   66 TYR  HB+          69 VAL  MGX         4.50    (#   1511:20  Unique         2.01, 4.61 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1028,1029,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1512    29 VAL  MGX         3.50    (#   1512:20  Single Ambig)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 549, 550, 959, 960,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   22 ILE  HN           21 ALA  MB          3.50    (#   1515:20  Unique         1.96, 3.10 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 334, 335, 336,
 &end
#
#    6 ASP  HN           21 ALA  MB          5.50    (#   1516:20  Unique         2.77, 4.29 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 334, 335, 336,
 &end
#
#   21 ALA  HN           21 ALA  MB          3.50    (#   1517:20  Unique         2.07, 3.29 A)
 &rst
  ixpk= 1517, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 334, 335, 336,
 &end
#
#   18 VAL  HN           21 ALA  MB          4.50    (#   1518:20  Unique         3.22, 4.68 A)
 &rst
  ixpk= 1518, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 334, 335, 336,
 &end
#
#   17 HIS  HD2          21 ALA  MB          4.50    (#   1519:20  Unique         2.61, 4.89 A)
 &rst
  ixpk= 1519, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 334, 335, 336,
 &end
#
#   21 ALA  HA           21 ALA  MB          2.80    (#   1520:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1520, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 334, 335, 336,
 &end
#
#    4 TRP  HB+          21 ALA  MB          2.80    (#   1522:20  Unique         2.00, 3.76 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  50,  51,
 igr2= 334, 335, 336,
 &end
#
#    6 ASP  HB+          21 ALA  MB          4.50    (#   1523:20  Unique         2.65, 4.69 A)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  93,  94,
 igr2= 334, 335, 336,
 &end
#
#    6 ASP  HB-          21 ALA  MB          3.50    (#   1524:20  Unique         2.65, 4.69 A)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  93,  94,
 igr2= 334, 335, 336,
 &end
#
#    0 AMB  20-2:1525    21 ALA  MB          3.50    (#   1525:20  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2= 334, 335, 336,
 &end
#
#   47 TYR  HE           21 ALA  MB          3.50    (#   1526:20  Unique         2.39, 5.00 A)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 760, 765,
 igr2= 334, 335, 336,
 &end
#
#   12 GLN  HE2+          9 VAL  MGY         3.50    (#   1527:20  Unique         1.97, 5.24 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 198, 199,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   35 THR  HA           35 THR  MG2         2.80    (#   1528:20  Unique         2.11, 2.92 A)
 &rst
  ixpk= 1528, nxpk= 20, iat= 570,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 574, 575, 576,
 &end
#
#   45 LYS  HN           44 VAL  MGY         4.50    (#   1529:20  Unique         2.61, 4.68 A)
 &rst
  ixpk= 1529, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1530     0 AMB  20-1:1530   3.50    (#   1530:20  Double Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 974, 696,
 igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
       707, 708,
 &end
#
#    0 AMB  20-2:1531     0 AMB  20-1:1531   4.50    (#   1531:20  Double Ambig)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 734,  29,
 igr2= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   44 VAL  HA           44 VAL  MGY         3.50    (#   1534:20  Unique         2.08, 3.12 A)
 &rst
  ixpk= 1534, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1535    69 VAL  MGX         5.50    (#   1535:20  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 978, 979, 978, 979,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   58 LYS  HE-          69 VAL  MGX         3.50    (#   1536:20  Unique         2.01, 5.66 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 912, 913,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    3 HIS  HB+          44 VAL  MGY         4.50    (#   1537:20  Unique         2.69, 5.97 A)
 &rst
  ixpk= 1537, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  33,  34,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1538    44 VAL  MGY         3.50    (#   1538:20  Single Ambig)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  33,  34, 674, 675,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   66 TYR  HB-          69 VAL  MGX         4.50    (#   1539:20  Unique         2.01, 4.61 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1028,1029,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   58 LYS  HB+          69 VAL  MGX         4.50    (#   1540:20  Unique         3.01, 5.95 A)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 903, 904,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1541     0 AMB  20-1:1541   2.80    (#   1541:20  Double Ambig)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 700,1080,
 igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
       707, 708,
 &end
#
#   58 LYS  HD-          69 VAL  MGX         2.80    (#   1542:20  Unique         2.00, 4.97 A)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 909, 910,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1543     0 AMB  20-1:1543   2.80    (#   1543:20  Double Ambig)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 906, 907, 959, 960, 549, 550,
 igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
       707, 708,
 &end
#
#    0 AMB  20-2:1544    44 VAL  MGY         2.80    (#   1544:20  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   37 VAL  MGX          44 VAL  MGY         3.50    (#   1545:20  Unique         2.30, 5.59 A)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   24 ILE  HG1-         29 VAL  MGX         3.50    (#   1546:20  Unique         2.10, 5.88 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 383, 384,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1547    29 VAL  MGX         3.50    (#   1547:20  Single Ambig)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 478, 539,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HN           29 VAL  MGX         4.50    (#   1548:20  Unique         2.00, 3.93 A)
 &rst
  ixpk= 1548, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   26 LEU  HA           29 VAL  MGX         3.50    (#   1549:20  Unique         2.00, 3.72 A)
 &rst
  ixpk= 1549, nxpk= 20, iat= 408,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HA           29 VAL  MGX         3.50    (#   1550:20  Unique         2.03, 3.30 A)
 &rst
  ixpk= 1550, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HB           29 VAL  MGX         3.50    (#   1551:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1551, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1552    29 VAL  MGX         2.80    (#   1552:20  Single Ambig)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 543, 519, 520,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1553    29 VAL  MGX         3.50    (#   1553:20  Single Ambig)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 962, 413, 519, 520,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   57 ALA  MB           29 VAL  MGX         3.50    (#   1554:20  Unique         2.70, 6.11 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894, 895,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1555    29 VAL  MGX         2.80    (#   1555:20  Single Ambig)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970, 552, 553, 554,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   44 VAL  HN           43 THR  MG2         3.50    (#   1556:20  Unique         1.96, 3.41 A)
 &rst
  ixpk= 1556, nxpk= 20, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 688, 689, 690,
 &end
#
#   43 THR  HN           43 THR  MG2         4.50    (#   1557:20  Unique         4.39, 4.58 A)
 &rst
  ixpk= 1557, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1558    43 THR  MG2         4.50    (#   1558:20  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1078,  16,
 igr2= 688, 689, 690,
 &end
#
#   43 THR  HB           43 THR  MG2         3.50    (#   1560:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 688, 689, 690,
 &end
#
#   68 HIS  HB+          43 THR  MG2         4.50    (#   1561:20  Unique         3.59, 5.47 A)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1063,1064,
 igr2= 688, 689, 690,
 &end
#
#   45 LYS  HE+          43 THR  MG2         3.50    (#   1562:20  Unique         2.16, 4.28 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 725, 726,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1563    43 THR  MG2         3.50    (#   1563:20  Single Ambig)
 &rst
  ixpk= 1563, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1099,1100,1099,1100,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1564    43 THR  MG2         3.50    (#   1564:20  Single Ambig)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  21,  22,  21,  22,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1565    43 THR  MG2         3.50    (#   1565:20  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  18,  19,  18,  19,
 igr2= 688, 689, 690,
 &end
#
#   45 LYS  HG+          43 THR  MG2         3.50    (#   1566:20  Unique         2.11, 4.59 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 719, 720,
 igr2= 688, 689, 690,
 &end
#
#   45 LYS  HG-          43 THR  MG2         3.50    (#   1567:20  Unique         2.11, 4.59 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 719, 720,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1568    83 VAL  MGY         4.50    (#   1568:20  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1280, 283,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    7 VAL  HA            7 VAL  MGY         3.50    (#   1570:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 1570, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   53 GLN  HG-           7 VAL  MGY         3.50    (#   1571:20  Unique         2.48, 6.18 A)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 844, 845,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1572     7 VAL  MGY         3.50    (#   1572:20  Single Ambig)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 738, 410, 411,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   57 ALA  MB            7 VAL  MGY         3.50    (#   1573:20  Unique         2.10, 4.28 A)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894, 895,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  HN            7 VAL  MGY         4.50    (#   1574:20  Unique         1.96, 3.03 A)
 &rst
  ixpk= 1574, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1575    83 VAL  MGY         4.50    (#   1575:20  Single Ambig)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1296, 273,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HA           83 VAL  MGY         3.50    (#   1576:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=1282,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HG-          83 VAL  MGY         4.50    (#   1577:20  Unique         2.00, 5.18 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 313, 314,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HB           83 VAL  MGY         3.50    (#   1578:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1578, nxpk= 20, iat=1284,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HB-          83 VAL  MGY         3.50    (#   1579:20  Unique         2.06, 5.55 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 310, 311,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   37 VAL  HN           36 ALA  MB          3.50    (#   1580:20  Unique         2.16, 3.42 A)
 &rst
  ixpk= 1580, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 586, 587, 588,
 &end
#
#   36 ALA  HN           36 ALA  MB          2.80    (#   1581:20  Unique         2.11, 2.92 A)
 &rst
  ixpk= 1581, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 586, 587, 588,
 &end
#
#   36 ALA  HA           36 ALA  MB          2.80    (#   1582:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1582, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 586, 587, 588,
 &end
#
#   33 ILE  HA           36 ALA  MB          3.50    (#   1583:20  Unique         2.13, 3.29 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 586, 587, 588,
 &end
#
#    0 AMB  20-2:1584    36 ALA  MB          3.50    (#   1584:20  Single Ambig)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 522, 523, 519, 520, 596,
 igr2= 586, 587, 588,
 &end
#
#    0 AMB  20-2:1585    36 ALA  MB          3.50    (#   1585:20  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 346, 347, 348, 353, 354, 355,
 igr2= 586, 587, 588,
 &end
#
#   37 VAL  MGX          36 ALA  MB          3.50    (#   1586:20  Unique         2.21, 5.54 A)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 586, 587, 588,
 &end
#
#   61 LEU  MDY          46 VAL  MGX         4.50    (#   1587:20  Unique         2.38, 6.17 A)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   72 ALA  HN           46 VAL  MGX         4.50    (#   1588:20  Unique         2.04, 4.87 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HN           46 VAL  MGX         3.50    (#   1589:20  Unique         1.95, 3.32 A)
 &rst
  ixpk= 1589, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HA           46 VAL  MGX         4.50    (#   1590:20  Unique         2.20, 3.45 A)
 &rst
  ixpk= 1590, nxpk= 20, iat= 736,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   71 ASN  HA           46 VAL  MGX         3.50    (#   1591:20  Unique         2.09, 4.38 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1592    46 VAL  MGX         3.50    (#   1592:20  Single Ambig)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 858, 859, 856,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   54 SER  HB-          46 VAL  MGX         4.50    (#   1593:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 858, 859,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   58 LYS  HB+          46 VAL  MGX         4.50    (#   1594:20  Unique         2.96, 5.95 A)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 903, 904,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1595    46 VAL  MGX         2.80    (#   1595:20  Single Ambig)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  74, 738,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1596    46 VAL  MGX         2.80    (#   1596:20  Single Ambig)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 893, 894, 895, 903, 904,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    7 VAL  HA            7 VAL  MGY         3.50    (#   1597:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 1597, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1598     7 VAL  MGY         4.50    (#   1598:20  Single Ambig)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 856, 858, 859,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  HB            7 VAL  MGY         3.50    (#   1599:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1599, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1600     7 VAL  MGY         3.50    (#   1600:20  Single Ambig)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 893, 894, 895, 410, 411,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1602     0 AMB  20-1:1602   4.50    (#   1602:20  Double Ambig)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  14, 771,
 igr2=   8,   9,  10,1125,1126,1127,
 &end
#
#    1 ALA  HA            1 ALA  MB          3.50    (#   1603:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1603, nxpk= 20, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=   8,   9,  10,
 &end
#
#   72 ALA  HN           72 ALA  MB          3.50    (#   1604:20  Unique         2.10, 2.97 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1125,1126,1127,
 &end
#
#   46 VAL  HN           72 ALA  MB          5.50    (#   1605:20  Unique         2.30, 4.17 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1125,1126,1127,
 &end
#
#    4 TRP  HH2          72 ALA  MB          5.50    (#   1606:20  Unique         2.39, 4.06 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  61,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1125,1126,1127,
 &end
#
#    4 TRP  HZ3          72 ALA  MB          3.50    (#   1607:20  Unique         2.00, 3.09 A)
 &rst
  ixpk= 1607, nxpk= 20, iat=  63,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1125,1126,1127,
 &end
#
#   45 LYS  HA           72 ALA  MB          4.50    (#   1608:20  Unique         2.80, 4.81 A)
 &rst
  ixpk= 1608, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1125,1126,1127,
 &end
#
#   72 ALA  HA           72 ALA  MB          2.80    (#   1609:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=1123,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1125,1126,1127,
 &end
#
#   47 TYR  HB+          72 ALA  MB          4.50    (#   1610:20  Unique         2.00, 3.35 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 754, 755,
 igr2=1125,1126,1127,
 &end
#
#   47 TYR  HB-          72 ALA  MB          3.50    (#   1611:20  Unique         2.00, 3.35 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 754, 755,
 igr2=1125,1126,1127,
 &end
#
#   78 ILE  HG1+         72 ALA  MB          4.50    (#   1612:20  Unique         2.86, 5.10 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1208,1209,
 igr2=1125,1126,1127,
 &end
#
#   45 LYS  HD-          72 ALA  MB          4.50    (#   1613:20  Unique         2.36, 5.36 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 722, 723,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:1614    83 VAL  MGX         3.50    (#   1614:20  Single Ambig)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1280, 283,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:1615    83 VAL  MGX         4.50    (#   1615:20  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1296, 273,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HA           83 VAL  MGX         3.50    (#   1617:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=1282,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HA           83 VAL  MGX         3.50    (#   1618:20  Unique         2.12, 4.62 A)
 &rst
  ixpk= 1618, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HG-          83 VAL  MGX         3.50    (#   1619:20  Unique         2.00, 5.18 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 313, 314,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HB           83 VAL  MGX         3.50    (#   1620:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=1284,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HN           18 VAL  MGX         3.50    (#   1621:20  Unique         1.95, 4.01 A)
 &rst
  ixpk= 1621, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   18 VAL  HA           18 VAL  MGX         3.50    (#   1622:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 1622, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   21 ALA  MB           18 VAL  MGX         3.50    (#   1623:20  Unique         2.63, 5.67 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 334, 335, 336,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1624    18 VAL  MGX         2.80    (#   1624:20  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 294,1231,1232,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   80 MET  HB-          18 VAL  MGX         3.50    (#   1625:20  Unique         2.37, 4.81 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1231,1232,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   75 LEU  MDY          18 VAL  MGX         4.50    (#   1626:20  Unique         2.11, 6.27 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   78 ILE  QD1          18 VAL  MGX         4.50    (#   1627:20  Unique         2.02, 5.43 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1211,1212,1213,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   37 VAL  HN           37 VAL  MGX         3.50    (#   1628:20  Unique         2.59, 4.16 A)
 &rst
  ixpk= 1628, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HA           37 VAL  MGX         3.50    (#   1629:20  Unique         2.25, 3.11 A)
 &rst
  ixpk= 1629, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    3 HIS  HB+          37 VAL  MGX         4.50    (#   1630:20  Unique         2.91, 5.09 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  33,  34,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   42 ASP  HB-          37 VAL  MGX         4.50    (#   1631:20  Unique         2.00, 4.39 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 674, 675,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HB           37 VAL  MGX         2.80    (#   1632:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1632, nxpk= 20, iat= 596,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1633    37 VAL  MGX         3.50    (#   1633:20  Single Ambig)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 586, 587, 588, 549, 550,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1634    37 VAL  MGX         4.50    (#   1634:20  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  80,  81,  80,  81,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   33 ILE  QG2          37 VAL  MGX         4.50    (#   1635:20  Unique         5.71, 7.59 A)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 545, 546, 547,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   44 VAL  MGY          37 VAL  MGX         3.50    (#   1636:20  Unique         2.30, 5.59 A)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   33 ILE  HG1+         37 VAL  MGX         2.80    (#   1637:20  Unique         2.84, 4.96 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 549, 550,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1638    37 VAL  MGX         2.80    (#   1638:20  Single Ambig)
 &rst
  ixpk= 1638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 552, 553, 554,  83,  84,  85,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1639    33 ILE  QG2         3.50    (#   1639:20  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 562, 563, 564, 485, 486,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HG1+         33 ILE  QG2         2.80    (#   1640:20  Unique         2.09, 3.14 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 549, 550,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HN           33 ILE  QG2         3.50    (#   1641:20  Unique         2.26, 3.20 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 545, 546, 547,
 &end
#
#   34 ALA  HN           33 ILE  QG2         3.50    (#   1642:20  Unique         1.98, 2.99 A)
 &rst
  ixpk= 1642, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 545, 546, 547,
 &end
#
#   66 TYR  HE           33 ILE  QG2         3.50    (#   1643:20  Unique         2.00, 4.49 A)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1034,1039,
 igr2= 545, 546, 547,
 &end
#
#   34 ALA  HA           33 ILE  QG2         4.50    (#   1644:20  Unique         3.18, 4.15 A)
 &rst
  ixpk= 1644, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:1645    33 ILE  QG2         3.50    (#   1645:20  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 480, 541,
 igr2= 545, 546, 547,
 &end
#
#   64 MET  ME           33 ILE  QG2         3.50    (#   1646:20  Unique         2.00, 3.18 A)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1011,1012,1013,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HB           33 ILE  QG2         2.80    (#   1647:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1647, nxpk= 20, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:1648    33 ILE  QG2         4.50    (#   1648:20  Single Ambig)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 962, 519, 520,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:1649    33 ILE  QG2         3.50    (#   1649:20  Single Ambig)
 &rst
  ixpk= 1649, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 igr2= 545, 546, 547,
 &end
#
#   29 VAL  HN           24 ILE  QG2         4.50    (#   1650:20  Unique         2.33, 3.81 A)
 &rst
  ixpk= 1650, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 379, 380, 381,
 &end
#
#   24 ILE  HA           24 ILE  QG2         3.50    (#   1651:20  Unique         1.97, 2.89 A)
 &rst
  ixpk= 1651, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 379, 380, 381,
 &end
#
#   29 VAL  HA           24 ILE  QG2         2.80    (#   1652:20  Unique         1.97, 3.15 A)
 &rst
  ixpk= 1652, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 379, 380, 381,
 &end
#
#   32 ARG  HD-          24 ILE  QG2         3.50    (#   1653:20  Unique         2.05, 3.76 A)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 525, 526,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:1654    24 ILE  QG2         2.80    (#   1654:20  Single Ambig)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 519, 520, 522, 523,
 igr2= 379, 380, 381,
 &end
#
#   24 ILE  HB           24 ILE  QG2         2.80    (#   1655:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1655, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 379, 380, 381,
 &end
#
#   24 ILE  HG1-         24 ILE  QG2         3.50    (#   1656:20  Unique         2.25, 3.51 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 383, 384,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:1657    24 ILE  QG2         2.80    (#   1657:20  Single Ambig)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 468, 469, 470, 472, 473, 474, 346, 347, 348,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:1658    57 ALA  MB          2.80    (#   1658:20  Single Ambig)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 889, 899,
 igr2= 893, 894, 895,
 &end
#
#   57 ALA  HA           57 ALA  MB          2.80    (#   1659:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1659, nxpk= 20, iat= 891,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 893, 894, 895,
 &end
#
#   54 SER  HA           57 ALA  MB          3.50    (#   1660:20  Unique         2.62, 3.74 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 856,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 893, 894, 895,
 &end
#
#    7 VAL  HB           57 ALA  MB          4.50    (#   1661:20  Unique         2.50, 3.95 A)
 &rst
  ixpk= 1661, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1662    57 ALA  MB          4.50    (#   1662:20  Single Ambig)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 876, 877, 903, 904,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1663    57 ALA  MB          3.50    (#   1663:20  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 738, 940, 410, 411,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1664    57 ALA  MB          2.80    (#   1664:20  Single Ambig)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 415, 416, 417, 419, 420, 421, 740, 741, 742, 744,
       745, 746,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1665    57 ALA  MB          2.80    (#   1665:20  Single Ambig)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
       473, 474,
 igr2= 893, 894, 895,
 &end
#
#   61 LEU  MDY          57 ALA  MB          4.50    (#   1666:20  Unique         2.01, 5.29 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 893, 894, 895,
 &end
#
#   54 SER  HB-           7 VAL  MGX         4.50    (#   1667:20  Unique         2.54, 5.31 A)
 &rst
  ixpk= 1667, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 858, 859,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   48 CYS  HB+           7 VAL  MGX         4.50    (#   1668:20  Unique         2.06, 5.84 A)
 &rst
  ixpk= 1668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 775, 776,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   53 GLN  HB+           7 VAL  MGX         4.50    (#   1669:20  Unique         2.00, 6.06 A)
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 841, 842,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1670     7 VAL  MGX         3.50    (#   1670:20  Single Ambig)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 893, 894, 895, 410, 411,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  HN            7 VAL  MGX         3.50    (#   1671:20  Unique         1.96, 3.03 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1672     7 VAL  MGX         3.50    (#   1672:20  Single Ambig)
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 856, 858, 859,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   48 CYS  HB-           7 VAL  MGX         3.50    (#   1673:20  Unique         2.06, 5.84 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 775, 776,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  HB            7 VAL  MGX         3.50    (#   1674:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1674, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   53 GLN  HB-           7 VAL  MGX         3.50    (#   1675:20  Unique         2.00, 6.06 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 841, 842,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1677     0 AMB  20-1:1677   4.50    (#   1677:20  Double Ambig)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1011,1012,1013, 105,
 igr2= 562, 563, 564, 893, 894, 895,
 &end
#
#    0 AMB  20-2:1678    57 ALA  MB          3.50    (#   1678:20  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 738, 940,
 igr2= 893, 894, 895,
 &end
#
#   32 ARG  HG-          34 ALA  MB          5.50    (#   1679:20  Unique         6.32, 7.99 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 522, 523,
 igr2= 562, 563, 564,
 &end
#
#   26 LEU  MDX          57 ALA  MB          4.50    (#   1680:20  Unique         2.00, 4.23 A)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 893, 894, 895,
 &end
#
#   34 ALA  HN           34 ALA  MB          2.80    (#   1681:20  Unique         2.06, 2.88 A)
 &rst
  ixpk= 1681, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 562, 563, 564,
 &end
#
#   35 THR  HN           34 ALA  MB          3.50    (#   1682:20  Unique         2.74, 3.67 A)
 &rst
  ixpk= 1682, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 562, 563, 564,
 &end
#
#   38 PRO  HA           34 ALA  MB          5.50    (#   1683:20  Unique         4.33, 5.42 A)
 &rst
  ixpk= 1683, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 562, 563, 564,
 &end
#
#   34 ALA  HA           34 ALA  MB          2.80    (#   1684:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1684, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 562, 563, 564,
 &end
#
#   53 GLN  HE2+          9 VAL  MGX         3.50    (#   1685:20  Unique         1.96, 4.78 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 849, 850,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HN            9 VAL  MGX         3.50    (#   1686:20  Unique         1.94, 4.27 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HA            9 VAL  MGX         3.50    (#   1687:20  Unique         2.13, 3.43 A)
 &rst
  ixpk= 1687, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1688     9 VAL  MGX         4.50    (#   1688:20  Single Ambig)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 158, 159, 158, 159,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HB            9 VAL  MGX         2.80    (#   1689:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1689, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1690     9 VAL  MGX         3.50    (#   1690:20  Single Ambig)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 175, 176, 175, 176,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   11 GLU  HN            9 VAL  MGX         3.50    (#   1692:20  Unique         2.14, 4.47 A)
 &rst
  ixpk= 1692, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HN            9 VAL  MGX         3.50    (#   1693:20  Unique         1.95, 3.03 A)
 &rst
  ixpk= 1693, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HG-           9 VAL  MGX         2.80    (#   1694:20  Unique         2.09, 5.01 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 193, 194,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1695    78 ILE  QG2         3.50    (#   1695:20  Single Ambig)
 &rst
  ixpk= 1695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1227,  61,
 igr2=1204,1205,1206,
 &end
#
#    4 TRP  HZ3          78 ILE  QG2         4.50    (#   1696:20  Unique         3.59, 5.01 A)
 &rst
  ixpk= 1696, nxpk= 20, iat=  63,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1204,1205,1206,
 &end
#
#   78 ILE  HB           78 ILE  QG2         2.80    (#   1697:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=1202,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1204,1205,1206,
 &end
#
#   18 VAL  MGY          78 ILE  QG2         3.50    (#   1698:20  Unique         2.50, 5.60 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1204,1205,1206,
 &end
#
#   78 ILE  HA           78 ILE  QG2         3.50    (#   1699:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1204,1205,1206,
 &end
#
#   80 MET  HG+          78 ILE  QG2         3.50    (#   1700:20  Unique         2.04, 4.11 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1234,1235,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:1701    78 ILE  QG2         3.50    (#   1701:20  Single Ambig)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=1231,1232,1238,1239,1240,
 igr2=1204,1205,1206,
 &end
#
#   22 ILE  HN           22 ILE  QG2         4.50    (#   1702:20  Unique         4.40, 4.65 A)
 &rst
  ixpk= 1702, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 346, 347, 348,
 &end
#
#   23 ASN  HN           22 ILE  QG2         4.50    (#   1703:20  Unique         1.99, 3.64 A)
 &rst
  ixpk= 1703, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 346, 347, 348,
 &end
#
#   22 ILE  HA           22 ILE  QG2         3.50    (#   1704:20  Unique         2.19, 2.98 A)
 &rst
  ixpk= 1704, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1705     0 AMB  20-1:1705   2.80    (#   1705:20  Double Ambig)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 344, 940, 946, 947, 522, 523,
 igr2= 346, 347, 348, 942, 943, 944,
 &end
#
#   22 ILE  HG1-         22 ILE  QG2         3.50    (#   1706:20  Unique         2.30, 3.49 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 350, 351,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1707    22 ILE  QG2         2.80    (#   1707:20  Single Ambig)
 &rst
  ixpk= 1707, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 586, 587, 588, 350, 351,
 igr2= 346, 347, 348,
 &end
#
#   24 ILE  HG1-         22 ILE  QG2         2.80    (#   1708:20  Unique         1.99, 3.81 A)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 383, 384,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1709    22 ILE  QG2         3.50    (#   1709:20  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1710    64 MET  ME          5.50    (#   1710:20  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 955, 539,
 igr2=1011,1012,1013,
 &end
#
#   34 ALA  HN           64 MET  ME          4.50    (#   1711:20  Unique         3.26, 4.68 A)
 &rst
  ixpk= 1711, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1011,1012,1013,
 &end
#
#   66 TYR  HE           64 MET  ME          3.50    (#   1712:20  Unique         2.00, 5.02 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1034,1039,
 igr2=1011,1012,1013,
 &end
#
#   64 MET  HA           64 MET  ME          5.50    (#   1713:20  Unique         4.26, 5.32 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1011,1012,1013,
 &end
#
#   61 LEU  HA           64 MET  ME          4.50    (#   1714:20  Unique         2.00, 3.71 A)
 &rst
  ixpk= 1714, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1011,1012,1013,
 &end
#
#   30 LYS  HA           64 MET  ME          3.50    (#   1715:20  Unique         1.99, 3.61 A)
 &rst
  ixpk= 1715, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1716    64 MET  ME          3.50    (#   1716:20  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1007,1008, 491, 492,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1717    64 MET  ME          3.50    (#   1717:20  Single Ambig)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1004,1005,1007,1008,
 igr2=1011,1012,1013,
 &end
#
#   64 MET  HB-          64 MET  ME          3.50    (#   1718:20  Unique         2.00, 3.50 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1004,1005,
 igr2=1011,1012,1013,
 &end
#
#   30 LYS  HG+          64 MET  ME          4.50    (#   1719:20  Unique         2.07, 4.90 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 485, 486,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1720    64 MET  ME          4.50    (#   1720:20  Single Ambig)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 485, 486, 562, 563, 564,
 igr2=1011,1012,1013,
 &end
#
#   33 ILE  QG2          64 MET  ME          2.80    (#   1721:20  Unique         2.00, 3.18 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 545, 546, 547,
 igr2=1011,1012,1013,
 &end
#
#   61 LEU  MDX          64 MET  ME          4.50    (#   1722:20  Unique         2.00, 5.31 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1011,1012,1013,
 &end
#
#   61 LEU  HN           60 ILE  QG2         3.50    (#   1723:20  Unique         2.88, 4.09 A)
 &rst
  ixpk= 1723, nxpk= 20, iat= 955,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 942, 943, 944,
 &end
#
#   60 ILE  HN           60 ILE  QG2         4.50    (#   1724:20  Unique         4.40, 4.53 A)
 &rst
  ixpk= 1724, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 942, 943, 944,
 &end
#
#    0 AMB  20-2:1725     0 AMB  20-1:1725   4.50    (#   1725:20  Double Ambig)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 957, 375,
 igr2= 942, 943, 944, 346, 347, 348,
 &end
#
#    0 AMB  20-2:1726     0 AMB  20-1:1726   3.50    (#   1726:20  Double Ambig)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 480, 891, 541,
 igr2= 942, 943, 944, 346, 347, 348,
 &end
#
#   60 ILE  HA           60 ILE  QG2         3.50    (#   1727:20  Unique         2.37, 3.12 A)
 &rst
  ixpk= 1727, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 942, 943, 944,
 &end
#
#    0 AMB  20-2:1728    60 ILE  QG2         3.50    (#   1728:20  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 491, 492, 491, 492,1007,1008,
 igr2= 942, 943, 944,
 &end
#
#   64 MET  HG-          60 ILE  QG2         4.50    (#   1729:20  Unique         2.52, 4.99 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1007,1008,
 igr2= 942, 943, 944,
 &end
#
#    0 AMB  20-2:1730    60 ILE  QG2         4.50    (#   1730:20  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
 igr1=1011,1012,1013, 989, 990, 989, 990,
 igr2= 942, 943, 944,
 &end
#
#    0 AMB  20-2:1731     0 AMB  20-1:1731   2.80    (#   1731:20  Double Ambig)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 344, 940, 946, 947,
 igr2= 346, 347, 348, 942, 943, 944,
 &end
#
#    0 AMB  20-2:1732    60 ILE  QG2         3.50    (#   1732:20  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 485, 486, 962,
 igr2= 942, 943, 944,
 &end
#
#   30 LYS  HG-          60 ILE  QG2         2.80    (#   1733:20  Unique         2.01, 3.16 A)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 485, 486,
 igr2= 942, 943, 944,
 &end
#
#   60 ILE  HG1+         60 ILE  QG2         2.80    (#   1734:20  Unique         2.37, 3.43 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 946, 947,
 igr2= 942, 943, 944,
 &end
#
#    6 ASP  HN            5 ILE  QG2         3.50    (#   1735:20  Unique         2.07, 3.64 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  76,  77,  78,
 &end
#
#    5 ILE  HA            5 ILE  QG2         3.50    (#   1736:20  Unique         2.24, 3.09 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1737     5 ILE  QG2         2.80    (#   1737:20  Single Ambig)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  74, 344, 543,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1738     5 ILE  QG2         4.50    (#   1738:20  Single Ambig)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 350, 351, 586, 587, 588,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1739     5 ILE  QG2         2.80    (#   1739:20  Single Ambig)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 383, 384,  80,  81,  80,  81,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1740     5 ILE  QG2         2.80    (#   1740:20  Single Ambig)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1= 383, 384, 468, 469, 470, 472, 473, 474, 107, 108,
       109, 111, 112, 113,
 igr2=  76,  77,  78,
 &end
#
#   24 ILE  HN            5 ILE  QG2         4.50    (#   1741:20  Unique         2.70, 4.59 A)
 &rst
  ixpk= 1741, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  76,  77,  78,
 &end
#
#   79 ALA  HN           79 ALA  MB          3.50    (#   1742:20  Unique         2.33, 3.16 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=1217,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1221,1222,1223,
 &end
#
#   80 MET  HN           79 ALA  MB          5.50    (#   1743:20  Unique         4.10, 4.46 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1221,1222,1223,
 &end
#
#   79 ALA  HA           79 ALA  MB          2.80    (#   1745:20  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=1219,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:1747    33 ILE  QD1         4.50    (#   1747:20  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 592, 539,
 igr2= 552, 553, 554,
 &end
#
#   33 ILE  HA           33 ILE  QD1         3.50    (#   1748:20  Unique         2.25, 3.35 A)
 &rst
  ixpk= 1748, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1749    33 ILE  QD1         2.80    (#   1749:20  Single Ambig)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 543, 596,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1750    33 ILE  QD1         2.80    (#   1750:20  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 549, 550, 586, 587, 588,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1751    33 ILE  QD1         3.50    (#   1751:20  Single Ambig)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  80,  81,  80,  81,
 igr2= 552, 553, 554,
 &end
#
#   33 ILE  HG1+         33 ILE  QD1         2.80    (#   1752:20  Unique         2.22, 2.62 A)
 &rst
  ixpk= 1752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 549, 550,
 igr2= 552, 553, 554,
 &end
#
#   37 VAL  MGX          33 ILE  QD1         3.50    (#   1753:20  Unique         2.16, 4.93 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 552, 553, 554,
 &end
#
#   78 ILE  HN           78 ILE  QD1         4.50    (#   1754:20  Unique         3.57, 4.47 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1211,1212,1213,
 &end
#
#    4 TRP  HZ3          78 ILE  QD1         3.50    (#   1755:20  Unique         2.01, 3.29 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  63,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1211,1212,1213,
 &end
#
#   75 LEU  HA           78 ILE  QD1         3.50    (#   1756:20  Unique         2.01, 3.25 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1211,1212,1213,
 &end
#
#   47 TYR  HB+          78 ILE  QD1         3.50    (#   1757:20  Unique         2.05, 3.62 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 754, 755,
 igr2=1211,1212,1213,
 &end
#
#   47 TYR  HB-          78 ILE  QD1         3.50    (#   1758:20  Unique         2.05, 3.62 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 754, 755,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1759     0 AMB  20-1:1759   3.50    (#   1759:20  Double Ambig)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 543,1208,1209,
 igr2= 552, 553, 554,1211,1212,1213,
 &end
#
#    0 AMB  20-2:1760     0 AMB  20-1:1760   2.80    (#   1760:20  Double Ambig)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1125,1126,1127, 598, 599, 600, 602, 603, 604,1202,
      
 igr2=1211,1212,1213, 552, 553, 554,
 &end
#
#   18 VAL  MGY          78 ILE  QD1         3.50    (#   1761:20  Unique         2.02, 5.43 A)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1211,1212,1213,
 &end
#
#   60 ILE  HN           60 ILE  QD1         4.50    (#   1762:20  Unique         2.86, 4.15 A)
 &rst
  ixpk= 1762, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 949, 950, 951,
 &end
#
#   60 ILE  HA           60 ILE  QD1         4.50    (#   1763:20  Unique         4.36, 4.65 A)
 &rst
  ixpk= 1763, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:1764    60 ILE  QD1         2.80    (#   1764:20  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 940, 946, 947,
 igr2= 949, 950, 951,
 &end
#
#   60 ILE  HG1+         60 ILE  QD1         2.80    (#   1765:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 946, 947,
 igr2= 949, 950, 951,
 &end
#
#   57 ALA  HA           60 ILE  QD1         3.50    (#   1766:20  Unique         2.08, 3.28 A)
 &rst
  ixpk= 1766, nxpk= 20, iat= 891,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:1767    60 ILE  QD1         4.50    (#   1767:20  Single Ambig)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 879, 880, 876, 877,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:1768    22 ILE  QD1         3.50    (#   1768:20  Single Ambig)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  83,  84,  85, 386, 387, 388,
 igr2= 353, 354, 355,
 &end
#
#   22 ILE  HG1-         22 ILE  QD1         2.80    (#   1769:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 350, 351,
 igr2= 353, 354, 355,
 &end
#
#    0 AMB  20-2:1770    22 ILE  QD1         2.80    (#   1770:20  Single Ambig)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 350, 351, 586, 587, 588,
 igr2= 353, 354, 355,
 &end
#
#   33 ILE  HA           24 ILE  QD1         3.50    (#   1772:20  Unique         3.85, 4.39 A)
 &rst
  ixpk= 1772, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:1773    24 ILE  QD1         3.50    (#   1773:20  Single Ambig)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 522, 523, 344, 519, 520,
 igr2= 386, 387, 388,
 &end
#
#   32 ARG  HG-          24 ILE  QD1         4.50    (#   1774:20  Unique         2.00, 4.28 A)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 522, 523,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:1775    24 ILE  QD1         3.50    (#   1775:20  Single Ambig)
 &rst
  ixpk= 1775, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 350, 351, 586, 587, 588,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HG1-         24 ILE  QD1         2.80    (#   1776:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 383, 384,
 igr2= 386, 387, 388,
 &end
#
#   22 ILE  HG1+          5 ILE  QD1         3.50    (#   1777:20  Unique         2.14, 3.31 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 350, 351,
 igr2=  83,  84,  85,
 &end
#
#   37 VAL  MGX           5 ILE  QD1         3.50    (#   1778:20  Unique         2.99, 6.38 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2=  83,  84,  85,
 &end
#
#    5 ILE  HA            5 ILE  QD1         3.50    (#   1779:20  Unique         2.00, 3.03 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  83,  84,  85,
 &end
#
#    3 HIS  HB+           5 ILE  QD1         4.50    (#   1780:20  Unique         2.55, 4.34 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  33,  34,
 igr2=  83,  84,  85,
 &end
#
#    0 AMB  20-2:1781     5 ILE  QD1         3.50    (#   1781:20  Single Ambig)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 344,  74,
 igr2=  83,  84,  85,
 &end
#
#   22 ILE  HG1-          5 ILE  QD1         4.50    (#   1782:20  Unique         2.14, 3.31 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 350, 351,
 igr2=  83,  84,  85,
 &end
#
#    0 AMB  20-2:1783     5 ILE  QD1         2.80    (#   1783:20  Single Ambig)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  80,  81,  80,  81,
 igr2=  83,  84,  85,
 &end
#
#   68 HIS  HN           67 THR  HB          5.50    (#   1784:20  Unique         4.02, 4.45 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=1059,1049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1785    35 THR  HB          5.50    (#   1785:20  Single Ambig)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1, 572, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 522, 523, 519, 520,
 &end
#
#   44 VAL  HN           43 THR  HB          5.50    (#   1786:20  Unique         3.87, 4.15 A)
 &rst
  ixpk= 1786, nxpk= 20, iat= 696, 686, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  HG1-         29 VAL  HA          5.50    (#   1788:20  Unique         3.82, 4.90 A)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 383, 384,
 &end
#
#   28 GLU  HA           29 VAL  HA          5.50    (#   1790:20  Unique         4.78, 4.87 A)
 &rst
  ixpk= 1790, nxpk= 20, iat= 449, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLU  HN           29 VAL  HA          5.50    (#   1791:20  Unique         4.18, 4.34 A)
 &rst
  ixpk= 1791, nxpk= 20, iat= 500, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1794    10 PRO  HA          5.50    (#   1794:20  Single Ambig)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 205, 173,
 &end
#
#   13 TYR  HD           10 PRO  HA          5.50    (#   1796:20  Unique         3.13, 4.64 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 211, 220,
 &end
#
#   12 GLN  HN           10 PRO  HA          4.50    (#   1797:20  Unique         3.93, 4.33 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 186, 167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 GLN  HN           10 PRO  HA          5.50    (#   1798:20  Unique         3.94, 4.74 A)
 &rst
  ixpk= 1798, nxpk= 20, iat= 224, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 GLU  HN           10 PRO  HA          4.50    (#   1799:20  Unique         3.41, 3.48 A)
 &rst
  ixpk= 1799, nxpk= 20, iat= 171, 167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 LEU  HB-          60 ILE  HA          5.50    (#   1800:20  Unique         5.71, 6.23 A)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 959, 960,
 &end
#
#   63 GLU  HG+          60 ILE  HA          4.50    (#   1801:20  Unique         2.47, 4.54 A)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 992, 993,
 &end
#
#    0 AMB  20-2:1802    60 ILE  HA          5.50    (#   1802:20  Single Ambig)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1000, 884, 885,
 &end
#
#    0 AMB  20-2:1804    60 ILE  HA          5.50    (#   1804:20  Single Ambig)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 488, 489, 488, 489,
 &end
#
#   60 ILE  HN           60 ILE  HA          3.50    (#   1805:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 1805, nxpk= 20, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 ILE  HG1+         38 PRO  HA          5.50    (#   1806:20  Unique         5.42, 6.27 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 549, 550,
 &end
#
#   38 PRO  HD+          38 PRO  HA          4.50    (#   1807:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 609, 610,
 &end
#
#   37 VAL  HN           38 PRO  HA          5.50    (#   1809:20  Unique         4.30, 4.45 A)
 &rst
  ixpk= 1809, nxpk= 20, iat= 592, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1810    43 THR  HA          5.50    (#   1810:20  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088,
 &end
#
#   83 VAL  MGX          18 VAL  HA          5.50    (#   1811:20  Unique         3.23, 6.42 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   82 LYS  HN           18 VAL  HA          5.50    (#   1812:20  Unique         4.67, 5.20 A)
 &rst
  ixpk= 1812, nxpk= 20, iat=1258, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HB+          35 THR  HA          5.50    (#   1813:20  Unique         3.29, 4.41 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 615, 616,
 &end
#
#    0 AMB  20-2:1814     0 AMB  20-1:1814   5.50    (#   1814:20  Double Ambig)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 609, 610, 912, 913, 912, 913,
 igr2= 570, 978, 979, 978, 979,
 &end
#
#   34 ALA  HN           35 THR  HA          5.50    (#   1815:20  Unique         5.10, 5.26 A)
 &rst
  ixpk= 1815, nxpk= 20, iat= 558, 570, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1816     0 AMB  20-1:1816   5.50    (#   1816:20  Double Ambig)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 955, 592,
 igr2= 978, 979, 978, 979, 570,
 &end
#
#    0 AMB  20-2:1818    81 PRO  HA          5.50    (#   1818:20  Single Ambig)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1265,1266,1231,1232,
 &end
#
#   81 PRO  HD-          81 PRO  HA          4.50    (#   1819:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1245,1246,
 &end
#
#   81 PRO  HD+          81 PRO  HA          4.50    (#   1820:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1245,1246,
 &end
#
#    0 AMB  20-2:1823    67 THR  HA          4.50    (#   1823:20  Single Ambig)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,1047, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   68 HIS  HA           67 THR  HA          4.50    (#   1824:20  Unique         4.34, 4.39 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=1061,1047, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1828    62 SER  HA          5.50    (#   1828:20  Single Ambig)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1829    62 SER  HA          5.50    (#   1829:20  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 959, 960, 906, 907,
 &end
#
#   66 TYR  HB-          62 SER  HA          5.50    (#   1830:20  Unique         2.11, 3.37 A)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1028,1029,
 &end
#
#   65 GLY  HN           62 SER  HA          4.50    (#   1831:20  Unique         3.60, 3.80 A)
 &rst
  ixpk= 1831, nxpk= 20, iat=1017, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLU  HN           62 SER  HA          4.50    (#   1832:20  Unique         3.52, 3.56 A)
 &rst
  ixpk= 1832, nxpk= 20, iat= 985, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1833    62 SER  HA          2.80    (#   1833:20  Single Ambig)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 978, 979, 978, 979,
 &end
#
#    0 AMB  20-2:1834    33 ILE  HA          2.80    (#   1834:20  Single Ambig)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 552, 553, 554,  83,  84,  85,
 &end
#
#    0 AMB  20-2:1835    78 ILE  HA          5.50    (#   1835:20  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  61,1227,
 &end
#
#   66 TYR  HN           62 SER  HA          4.50    (#   1836:20  Unique         2.73, 3.70 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=1024, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 VAL  MGX          33 ILE  HA          4.50    (#   1837:20  Unique         3.18, 5.70 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   32 ARG  HB-          33 ILE  HA          4.50    (#   1838:20  Unique         3.73, 4.68 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 519, 520,
 &end
#
#   29 VAL  HA           33 ILE  HA          5.50    (#   1840:20  Unique         4.32, 4.52 A)
 &rst
  ixpk= 1840, nxpk= 20, iat= 464, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 THR  HN           33 ILE  HA          4.50    (#   1841:20  Unique         3.58, 3.87 A)
 &rst
  ixpk= 1841, nxpk= 20, iat= 568, 541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 ARG  HN           33 ILE  HA          5.50    (#   1842:20  Unique         4.71, 4.93 A)
 &rst
  ixpk= 1842, nxpk= 20, iat= 515, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 PRO  HB-          25 PRO  HA          3.50    (#   1843:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 399, 400,
 &end
#
#    0 AMB  20-2:1844     0 AMB  20-1:1844   4.50    (#   1844:20  Double Ambig)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 865, 101,
 igr2= 856, 402,
 &end
#
#    0 AMB  20-2:1845     0 AMB  20-1:1845   5.50    (#   1845:20  Double Ambig)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 872, 373, 462,
 igr2= 856, 402,
 &end
#
#   55 GLY  HN           54 SER  HB+         5.50    (#   1849:20  Unique         2.48, 3.66 A)
 &rst
  ixpk= 1849, nxpk= 20, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#   46 VAL  MGY          54 SER  HB+         4.50    (#   1850:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2= 858, 859,
 &end
#
#   46 VAL  HB           54 SER  HB+         4.50    (#   1851:20  Unique         2.46, 3.80 A)
 &rst
  ixpk= 1851, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 858, 859,
 &end
#
#   46 VAL  HB           54 SER  HB-         4.50    (#   1852:20  Unique         2.46, 3.80 A)
 &rst
  ixpk= 1852, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 858, 859,
 &end
#
#   55 GLY  HN           54 SER  HB-         5.50    (#   1854:20  Unique         2.48, 3.66 A)
 &rst
  ixpk= 1854, nxpk= 20, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#    0 AMB  20-2:1855    54 SER  HB-         5.50    (#   1855:20  Single Ambig)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 750, 734, 899,
 igr2= 858, 859,
 &end
#
#   48 CYS  HN           54 SER  HB-         5.50    (#   1856:20  Unique         3.13, 4.09 A)
 &rst
  ixpk= 1856, nxpk= 20, iat= 771,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#    0 AMB  20-2:1857     0 AMB  20-1:1857   5.50    (#   1857:20  Double Ambig)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 750, 734, 899,
 igr2= 858, 859, 858, 859, 858, 859,
 &end
#
#   43 THR  MG2          44 VAL  HA          4.50    (#   1858:20  Unique         4.11, 4.96 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 688, 689, 690,
 &end
#
#   75 LEU  MDX          13 TYR  HA          5.50    (#   1859:20  Unique         5.37, 7.68 A)
 &rst
  ixpk= 1859, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1861    13 TYR  HA          5.50    (#   1861:20  Single Ambig)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 190, 191, 190, 191, 245, 246, 245, 246,
 &end
#
#   13 TYR  HD           13 TYR  HA          5.50    (#   1862:20  Unique         2.05, 3.48 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 211, 220,
 &end
#
#    0 AMB  20-2:1863    13 TYR  HA          2.80    (#   1863:20  Single Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 203, 258,
 &end
#
#    8 ARG  HE           13 TYR  HA          5.50    (#   1864:20  Unique         3.24, 4.93 A)
 &rst
  ixpk= 1864, nxpk= 20, iat= 130, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 GLU  HN            9 VAL  HA          5.50    (#   1865:20  Unique         3.91, 4.09 A)
 &rst
  ixpk= 1865, nxpk= 20, iat= 171, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1866     0 AMB  20-1:1866   3.50    (#   1866:20  Double Ambig)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 876, 877, 399, 400,
 igr2= 839, 143,
 &end
#
#    0 AMB  20-2:1867     0 AMB  20-1:1867   3.50    (#   1867:20  Double Ambig)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 841, 842, 145,
 igr2= 839, 143,
 &end
#
#   53 GLN  HG+          53 GLN  HA          3.50    (#   1868:20  Unique         2.02, 2.92 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1, 839, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 844, 845,
 &end
#
#   53 GLN  HN           53 GLN  HA          5.50    (#   1869:20  Unique         2.77, 2.87 A)
 &rst
  ixpk= 1869, nxpk= 20, iat= 837, 839, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1871     0 AMB  20-1:1871   5.50    (#   1871:20  Double Ambig)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 889, 283,
 igr2= 839,1282,
 &end
#
#    0 AMB  20-2:1872     7 VAL  HA          4.50    (#   1872:20  Single Ambig)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 377, 399, 400,
 &end
#
#    0 AMB  20-2:1873     7 VAL  HA          4.50    (#   1873:20  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 410, 411, 893, 894, 895,
 &end
#
#    0 AMB  20-2:1874     7 VAL  HA          5.50    (#   1874:20  Single Ambig)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 410, 411, 738,
 &end
#
#   25 PRO  HA            7 VAL  HA          3.50    (#   1875:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1875, nxpk= 20, iat= 402, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1878    58 LYS  HA          2.80    (#   1878:20  Single Ambig)
 &rst
  ixpk= 1878, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1879     0 AMB  20-1:1879   5.50    (#   1879:20  Double Ambig)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 912, 913, 491, 492, 491, 492,
 igr2= 901, 480,
 &end
#
#   32 ARG  HN           30 LYS  HA          5.50    (#   1880:20  Unique         3.93, 4.28 A)
 &rst
  ixpk= 1880, nxpk= 20, iat= 515, 480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ALA  HN           30 LYS  HA          5.50    (#   1881:20  Unique         5.08, 5.39 A)
 &rst
  ixpk= 1881, nxpk= 20, iat= 558, 480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 SER  HN           58 LYS  HA          4.50    (#   1882:20  Unique         3.74, 4.28 A)
 &rst
  ixpk= 1882, nxpk= 20, iat= 974, 901, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 LYS  HG-          66 TYR  HA          4.50    (#   1883:20  Unique         2.05, 4.04 A)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 641, 642,
 &end
#
#   68 HIS  HN           66 TYR  HA          5.50    (#   1884:20  Unique         3.60, 3.88 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=1059,1026, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 ASN  HB-          22 ILE  HA          5.50    (#   1885:20  Unique         4.11, 4.57 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 363, 364,
 &end
#
#    0 AMB  20-2:1886    22 ILE  HA          5.50    (#   1886:20  Single Ambig)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 386, 387, 388, 379, 380, 381,  76,  77,  78,
 &end
#
#    9 VAL  MGX          12 GLN  HA          4.50    (#   1890:20  Unique         4.07, 6.54 A)
 &rst
  ixpk= 1890, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   75 LEU  MDY          76 LYS  HA          5.50    (#   1891:20  Unique         4.30, 6.57 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1892    76 LYS  HA          5.50    (#   1892:20  Single Ambig)
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1154,1155,1156,1158,1159,1160,1208,1209,1265,1266,
      
 &end
#
#   82 LYS  HE-          76 LYS  HA          5.50    (#   1893:20  Unique         2.42, 5.18 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   78 ILE  HN           76 LYS  HA          4.50    (#   1894:20  Unique         3.79, 4.04 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=1198,1166, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1895    26 LEU  HA          4.50    (#   1895:20  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 379, 380, 381,  76,  77,  78, 386, 387, 388,
 &end
#
#    7 VAL  HA           26 LEU  HA          5.50    (#   1896:20  Unique         3.42, 3.66 A)
 &rst
  ixpk= 1896, nxpk= 20, iat= 103, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1897    26 LEU  HA          4.50    (#   1897:20  Single Ambig)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 447, 478,
 &end
#
#    0 AMB  20-2:1900    46 VAL  HA          4.50    (#   1900:20  Single Ambig)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 107, 108, 109, 111, 112, 113,  76,  77,  78,
 &end
#
#    0 AMB  20-2:1901    46 VAL  HA          5.50    (#   1901:20  Single Ambig)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1902    46 VAL  HA          5.50    (#   1902:20  Single Ambig)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1125,1126,1127, 893, 894, 895,
 &end
#
#    0 AMB  20-2:1903    46 VAL  HA          5.50    (#   1903:20  Single Ambig)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  91, 858, 859, 856,
 &end
#
#    0 AMB  20-2:1904    46 VAL  HA          5.50    (#   1904:20  Single Ambig)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 714,1109,
 &end
#
#    0 AMB  20-2:1905    46 VAL  HA          5.50    (#   1905:20  Single Ambig)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  48, 103,
 &end
#
#    7 VAL  HN           46 VAL  HA          5.50    (#   1906:20  Unique         3.27, 3.55 A)
 &rst
  ixpk= 1906, nxpk= 20, iat= 101, 736, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1907    48 CYS  HA          5.50    (#   1907:20  Single Ambig)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1154,1155,1156,1158,1159,1160, 107, 108, 109, 111,
       112, 113,
 &end
#
#   48 CYS  HN           48 CYS  HA          5.50    (#   1908:20  Unique         2.81, 2.91 A)
 &rst
  ixpk= 1908, nxpk= 20, iat= 771, 773, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 ILE  QG2          31 GLU  HA          5.50    (#   1909:20  Unique         3.54, 5.20 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 545, 546, 547,
 &end
#
#   34 ALA  MB           31 GLU  HA          5.50    (#   1910:20  Unique         2.55, 4.28 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 562, 563, 564,
 &end
#
#    0 AMB  20-2:1911    31 GLU  HA          4.50    (#   1911:20  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 482, 483, 522, 523, 519, 520,
 &end
#
#   33 ILE  HN           31 GLU  HA          5.50    (#   1912:20  Unique         4.25, 4.61 A)
 &rst
  ixpk= 1912, nxpk= 20, iat= 539, 502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1913    19 GLN  HA          5.50    (#   1913:20  Single Ambig)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 &end
#
#   83 VAL  MGX          19 GLN  HA          2.80    (#   1914:20  Unique         2.12, 4.62 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HB           19 GLN  HA          4.50    (#   1915:20  Unique         3.55, 4.28 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=1284, 308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 VAL  HA           19 GLN  HA          5.50    (#   1916:20  Unique         4.30, 4.33 A)
 &rst
  ixpk= 1916, nxpk= 20, iat= 292, 308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1917    19 GLN  HA          4.50    (#   1917:20  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 318, 319, 286,
 &end
#
#   13 TYR  HD           14 GLN  HA          5.50    (#   1919:20  Unique         3.28, 4.98 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 211, 220,
 &end
#
#   85 GLY  HN           14 GLN  HA          5.50    (#   1920:20  Unique         3.13, 4.69 A)
 &rst
  ixpk= 1920, nxpk= 20, iat=1318, 226, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1922     0 AMB  20-1:1922   5.50    (#   1922:20  Double Ambig)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 647, 648, 647, 648, 754, 755,
 igr2= 636,1147,
 &end
#
#   42 ASP  HN           40 LYS  HA          4.50    (#   1923:20  Unique         3.42, 4.17 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 670, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ILE  QD1          47 TYR  HA          5.50    (#   1924:20  Unique         4.13, 5.57 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1925    47 TYR  HA          5.50    (#   1925:20  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 107, 108, 109, 111, 112, 113,1154,1155,1156,1158,
      1159,1160,
 &end
#
#    0 AMB  20-2:1926    47 TYR  HA          5.50    (#   1926:20  Single Ambig)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 740, 741, 742, 744, 745, 746,1154,1155,1156,1158,
      1159,1160,
 &end
#
#    0 AMB  20-2:1927    47 TYR  HA          5.50    (#   1927:20  Single Ambig)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 738, 124, 125,
 &end
#
#   72 ALA  HN           47 TYR  HA          5.50    (#   1929:20  Unique         3.51, 4.02 A)
 &rst
  ixpk= 1929, nxpk= 20, iat=1121, 752, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   48 CYS  HN           47 TYR  HA          3.50    (#   1930:20  Unique         2.15, 2.26 A)
 &rst
  ixpk= 1930, nxpk= 20, iat= 771, 752, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  MB           32 ARG  HA          5.50    (#   1931:20  Unique         4.47, 5.55 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 562, 563, 564,
 &end
#
#    0 AMB  20-2:1932    32 ARG  HA          4.50    (#   1932:20  Single Ambig)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:1933    32 ARG  HA          5.50    (#   1933:20  Single Ambig)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 507, 508, 507, 508,1011,1012,1013,
 &end
#
#   33 ILE  HA           32 ARG  HA          5.50    (#   1934:20  Unique         4.81, 4.86 A)
 &rst
  ixpk= 1934, nxpk= 20, iat= 541, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 THR  HB           32 ARG  HA          4.50    (#   1935:20  Unique         2.94, 3.92 A)
 &rst
  ixpk= 1935, nxpk= 20, iat= 572, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 THR  HN           32 ARG  HA          4.50    (#   1936:20  Unique         3.22, 3.51 A)
 &rst
  ixpk= 1936, nxpk= 20, iat= 568, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1937     4 TRP  HA          4.50    (#   1937:20  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 722, 723, 702, 703, 704, 706, 707, 708,
 &end
#
#    4 TRP  HE3           4 TRP  HA          4.50    (#   1938:20  Unique         2.58, 3.01 A)
 &rst
  ixpk= 1938, nxpk= 20, iat=  65,  48, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  MGX           8 ARG  HA          5.50    (#   1939:20  Unique         3.11, 5.35 A)
 &rst
  ixpk= 1939, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    9 VAL  MGY           8 ARG  HA          4.50    (#   1940:20  Unique         3.86, 5.04 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    8 ARG  HD+           8 ARG  HA          5.50    (#   1941:20  Unique         3.10, 4.50 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 127, 128,
 &end
#
#    8 ARG  HD-           8 ARG  HA          5.50    (#   1942:20  Unique         3.10, 4.50 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 127, 128,
 &end
#
#   53 GLN  HB+           8 ARG  HA          5.50    (#   1943:20  Unique         2.76, 4.54 A)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 841, 842,
 &end
#
#    8 ARG  HE            8 ARG  HA          5.50    (#   1945:20  Unique         3.12, 4.74 A)
 &rst
  ixpk= 1945, nxpk= 20, iat= 130, 119, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  QG2          28 GLU  HA          5.50    (#   1946:20  Unique         4.00, 5.23 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 379, 380, 381,
 &end
#
#   85 GLY  HA-          84 LYS  HA          5.50    (#   1947:20  Unique         4.30, 4.42 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1320,1321,
 &end
#
#    3 HIS  HD2          42 ASP  HA          5.50    (#   1948:20  Unique         5.04, 5.40 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  42, 672, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 ASN  HN           42 ASP  HA          5.50    (#   1949:20  Unique         4.26, 4.71 A)
 &rst
  ixpk= 1949, nxpk= 20, iat= 656, 672, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1950    45 LYS  HA          4.50    (#   1950:20  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1121,  70,
 &end
#
#   61 LEU  MDY          57 ALA  HA          5.50    (#   1951:20  Unique         3.46, 5.57 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#   60 ILE  HG1+         57 ALA  HA          4.50    (#   1952:20  Unique         2.77, 3.97 A)
 &rst
  ixpk= 1952, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 946, 947,
 &end
#
#    0 AMB  20-2:1953    57 ALA  HA          5.50    (#   1953:20  Single Ambig)
 &rst
  ixpk= 1953, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 879, 880, 876, 877,
 &end
#
#    0 AMB  20-2:1955    57 ALA  HA          5.50    (#   1955:20  Single Ambig)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:1956    57 ALA  HA          4.50    (#   1956:20  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 876, 877, 925, 926, 925, 926,
 &end
#
#   59 GLU  HN           57 ALA  HA          5.50    (#   1957:20  Unique         3.67, 3.95 A)
 &rst
  ixpk= 1957, nxpk= 20, iat= 921, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 TRP  HN            3 HIS  HA          2.80    (#   1958:20  Unique         2.20, 2.29 A)
 &rst
  ixpk= 1958, nxpk= 20, iat=  46,  31, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 ILE  QD1          34 ALA  HA          5.50    (#   1959:20  Unique         6.17, 6.66 A)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 552, 553, 554,
 &end
#
#   33 ILE  HG1+         34 ALA  HA          5.50    (#   1960:20  Unique         4.16, 4.63 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 549, 550,
 &end
#
#    0 AMB  20-2:1961    34 ALA  HA          4.50    (#   1961:20  Single Ambig)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 615, 616, 596,
 &end
#
#   38 PRO  HB+          34 ALA  HA          5.50    (#   1962:20  Unique         4.35, 5.18 A)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 615, 616,
 &end
#
#   66 TYR  HE           34 ALA  HA          5.50    (#   1963:20  Unique         2.88, 4.58 A)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1034,1039,
 &end
#
#   36 ALA  HN           34 ALA  HA          4.50    (#   1964:20  Unique         4.50, 4.52 A)
 &rst
  ixpk= 1964, nxpk= 20, iat= 582, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1965     2 GLU  HA          5.50    (#   1965:20  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=   8,   9,  10, 598, 599, 600, 602, 603, 604,
 &end
#
#   42 ASP  HB+           2 GLU  HA          4.50    (#   1966:20  Unique         3.44, 4.74 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 674, 675,
 &end
#
#   43 THR  MG2          68 HIS  HA          5.50    (#   1967:20  Unique         4.94, 5.99 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1968    68 HIS  HA          5.50    (#   1968:20  Single Ambig)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1080,1096,1097,
 &end
#
#    0 AMB  20-2:1969    68 HIS  HA          4.50    (#   1969:20  Single Ambig)
 &rst
  ixpk= 1969, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1047,1049,
 &end
#
#    0 AMB  20-2:1970     0 AMB  20-1:1970   4.50    (#   1970:20  Double Ambig)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 310, 311,1168,1169,1208,1209,
 igr2=1260,1188,
 &end
#
#   78 ILE  HN           77 ASP  HA          4.50    (#   1971:20  Unique         2.78, 3.27 A)
 &rst
  ixpk= 1971, nxpk= 20, iat=1198,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ASP  HN           77 ASP  HA          4.50    (#   1972:20  Unique         2.76, 2.83 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 GLN  HN           82 LYS  HA          4.50    (#   1973:20  Unique         2.45, 3.07 A)
 &rst
  ixpk= 1973, nxpk= 20, iat= 306,1260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1974    36 ALA  HA          5.50    (#   1974:20  Single Ambig)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 386, 387, 388,  83,  84,  85,
 &end
#
#   38 PRO  HD-          36 ALA  HA          4.50    (#   1975:20  Unique         3.59, 4.23 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 609, 610,
 &end
#
#   38 PRO  HD+          36 ALA  HA          5.50    (#   1976:20  Unique         3.59, 4.23 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#    0 AMB  20-2:1977    36 ALA  HA          5.50    (#   1977:20  Single Ambig)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 522, 523, 596, 519, 520, 615, 616,
 &end
#
#   68 HIS  HD2          41 ASN  HA          4.50    (#   1978:20  Unique         1.96, 2.85 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=1072, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 THR  HN           41 ASN  HA          4.50    (#   1980:20  Unique         3.53, 4.30 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=1045, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASN  HD2+         41 ASN  HA          4.50    (#   1981:20  Unique         2.17, 4.04 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 665, 666,
 &end
#
#   68 HIS  HN           41 ASN  HA          5.50    (#   1982:20  Unique         4.13, 5.18 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=1059, 658, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  QD1          72 ALA  HA          5.50    (#   1983:20  Unique         4.41, 6.25 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1984    72 ALA  HA          5.50    (#   1984:20  Single Ambig)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1208,1209, 740, 741, 742, 744, 745, 746,
 &end
#
#   70 GLU  HB+          72 ALA  HA          5.50    (#   1985:20  Unique         4.61, 6.19 A)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:1986    72 ALA  HA          4.50    (#   1986:20  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1099,1100,1099,1100,
 &end
#
#   71 ASN  HD2+         72 ALA  HA          5.50    (#   1987:20  Unique         5.36, 6.34 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1116,1117,
 &end
#
#    4 TRP  HB-          21 ALA  HA          2.80    (#   1989:20  Unique         2.15, 3.05 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  50,  51,
 &end
#
#   22 ILE  HG1+         21 ALA  HA          4.50    (#   1990:20  Unique         3.21, 4.15 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351,
 &end
#
#    0 AMB  20-2:1991     1 ALA  HA          4.50    (#   1991:20  Single Ambig)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  18,  19,  18,  19,
 &end
#
#    0 AMB  20-2:1992     1 ALA  HA          5.50    (#   1992:20  Single Ambig)
 &rst
  ixpk= 1992, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:1993     6 ASP  HA          4.50    (#   1993:20  Single Ambig)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 334, 335, 336,  74,
 &end
#
#    0 AMB  20-2:1994     6 ASP  HA          4.50    (#   1994:20  Single Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  72, 275,
 &end
#
#    8 ARG  HN            6 ASP  HA          5.50    (#   1996:20  Unique         3.10, 3.20 A)
 &rst
  ixpk= 1996, nxpk= 20, iat= 117,  91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1997     0 AMB  20-1:1997   5.50    (#   1997:20  Double Ambig)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=  76,  77,  78, 722, 723,
 igr2= 361,1109,
 &end
#
#   23 ASN  HD2+         23 ASN  HA          4.50    (#   1998:20  Unique         1.98, 2.91 A)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1, 361, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 368, 369,
 &end
#
#   80 MET  HB-          79 ALA  HA          5.50    (#   1999:20  Unique         4.59, 5.48 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1231,1232,
 &end
#
#    0 AMB  20-2:2000    79 ALA  HA          5.50    (#   2000:20  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,1190,1191,
 &end
#
#   10 PRO  HA            0 AMB  20-1:2001   4.50    (#   2001:20  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 158, 159, 158, 159,
 &end
#
#   10 PRO  HA            0 AMB  20-1:2002   4.50    (#   2002:20  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 158, 159, 158, 159,
 &end
#
#    0 AMB  20-2:2004    81 PRO  HD-         4.50    (#   2004:20  Single Ambig)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:2005     0 AMB  20-1:2005   5.50    (#   2005:20  Double Ambig)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1245,1246,1245,1246,
 &end
#
#   81 PRO  HA           81 PRO  HD-         4.50    (#   2006:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1245,1246,
 &end
#
#   80 MET  HN           81 PRO  HD+         5.50    (#   2009:20  Unique         4.77, 4.88 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#   80 MET  HN           81 PRO  HD-         5.50    (#   2010:20  Unique         4.77, 4.88 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#   37 VAL  MGX          38 PRO  HD-         4.50    (#   2011:20  Unique         3.70, 5.29 A)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:2012     0 AMB  20-1:2012   5.50    (#   2012:20  Double Ambig)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1= 468, 469, 470, 472, 473, 474, 383, 384,
 igr2= 393, 394, 393, 394,
 &end
#
#    0 AMB  20-2:2013    25 PRO  HD-         4.50    (#   2013:20  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 468, 469, 470, 472, 473, 474, 383, 384,
 igr2= 393, 394,
 &end
#
#   23 ASN  HD2-         25 PRO  HD-         5.50    (#   2016:20  Unique         2.27, 4.29 A)
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 393, 394,
 &end
#
#   23 ASN  HD2+         25 PRO  HD-         5.50    (#   2017:20  Unique         2.27, 4.29 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:2018    25 PRO  HD-         4.50    (#   2018:20  Single Ambig)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 373, 462,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:2019     0 AMB  20-1:2019   5.50    (#   2019:20  Double Ambig)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 373, 462,
 igr2= 393, 394, 393, 394,
 &end
#
#   39 ASP  HN           38 PRO  HD-         4.50    (#   2020:20  Unique         2.65, 3.31 A)
 &rst
  ixpk= 2020, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   37 VAL  MGX          38 PRO  HD+         4.50    (#   2021:20  Unique         3.70, 5.29 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:2023    38 PRO  HD-         5.50    (#   2023:20  Single Ambig)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 586, 587, 588, 549, 550,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:2024     0 AMB  20-1:2024   5.50    (#   2024:20  Double Ambig)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 586, 587, 588, 549, 550,
 igr2= 609, 610, 609, 610,
 &end
#
#   36 ALA  HA           38 PRO  HD+         4.50    (#   2025:20  Unique         3.59, 4.23 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   36 ALA  HA           38 PRO  HD-         4.50    (#   2026:20  Unique         3.59, 4.23 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   46 VAL  MGX          55 GLY  HA-         5.50    (#   2029:20  Unique         4.01, 7.36 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2= 867, 868,
 &end
#
#   58 LYS  HB-          55 GLY  HA+         5.50    (#   2030:20  Unique         2.57, 4.21 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 903, 904,
 igr2= 867, 868,
 &end
#
#   58 LYS  HD+          55 GLY  HA-         5.50    (#   2031:20  Unique         3.70, 6.11 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 909, 910,
 igr2= 867, 868,
 &end
#
#   56 GLN  HB+          55 GLY  HA+         4.50    (#   2032:20  Unique         4.66, 5.60 A)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 876, 877,
 igr2= 867, 868,
 &end
#
#   71 ASN  HB+          55 GLY  HA-         5.50    (#   2033:20  Unique         3.49, 5.48 A)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2= 867, 868,
 &end
#
#   71 ASN  HD2-         55 GLY  HA+         4.50    (#   2034:20  Unique         1.95, 3.78 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:2036     0 AMB  20-1:2036   5.50    (#   2036:20  Double Ambig)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 899, 889,
 igr2= 867, 868, 867, 868,
 &end
#
#   58 LYS  HN           55 GLY  HA-         4.50    (#   2037:20  Unique         3.28, 4.24 A)
 &rst
  ixpk= 2037, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:2038     0 AMB  20-1:2038   5.50    (#   2038:20  Double Ambig)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1306,1307,1306,1307,1300,1301,
 igr2=1320,1321,1320,1321,1320,1321,
 &end
#
#   84 LYS  HB+          85 GLY  HA+         5.50    (#   2039:20  Unique         4.19, 4.86 A)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1300,1301,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:2040    85 GLY  HA-         5.50    (#   2040:20  Single Ambig)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1306,1307,1306,1307,1300,1301,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:2041    85 GLY  HA-         5.50    (#   2041:20  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 231, 232, 231, 232,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:2042     0 AMB  20-1:2042   5.50    (#   2042:20  Double Ambig)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 231, 232, 231, 232,
 igr2=1320,1321,1320,1321,
 &end
#
#   84 LYS  HA           85 GLY  HA-         4.50    (#   2043:20  Unique         4.30, 4.42 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1320,1321,
 &end
#
#   84 LYS  HA           85 GLY  HA+         4.50    (#   2044:20  Unique         4.30, 4.42 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1320,1321,
 &end
#
#   47 TYR  HA           73 GLY  HA-         5.50    (#   2046:20  Unique         4.10, 4.82 A)
 &rst
  ixpk= 2046, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1133,1134,
 &end
#
#   71 ASN  HD2-          0 AMB  20-1:2047   5.50    (#   2047:20  Single Ambig)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1116,1117,
 igr2=1133,1134, 808, 809,
 &end
#
#   51 GLY  HN           51 GLY  HA-         4.50    (#   2048:20  Unique         2.30, 2.75 A)
 &rst
  ixpk= 2048, nxpk= 20, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 808, 809,
 &end
#
#   72 ALA  HN           73 GLY  HA-         5.50    (#   2049:20  Unique         4.27, 4.85 A)
 &rst
  ixpk= 2049, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1133,1134,
 &end
#
#   71 ASN  HD2-         51 GLY  HA+         5.50    (#   2052:20  Unique         4.15, 6.76 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2= 808, 809,
 &end
#
#   52 ARG  HN           51 GLY  HA+         5.50    (#   2053:20  Unique         2.14, 3.01 A)
 &rst
  ixpk= 2053, nxpk= 20, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 808, 809,
 &end
#
#   51 GLY  HN           51 GLY  HA+         5.50    (#   2054:20  Unique         2.30, 2.75 A)
 &rst
  ixpk= 2054, nxpk= 20, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 808, 809,
 &end
#
#   19 GLN  HG+          20 GLY  HA-         5.50    (#   2055:20  Unique         3.80, 5.26 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 313, 314,
 igr2= 325, 326,
 &end
#
#   19 GLN  HG+          20 GLY  HA+         5.50    (#   2056:20  Unique         3.80, 5.26 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 313, 314,
 igr2= 325, 326,
 &end
#
#   20 GLY  HN           20 GLY  HA+         4.50    (#   2057:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 2057, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 325, 326,
 &end
#
#    0 AMB  20-2:2058    65 GLY  HA-         5.50    (#   2058:20  Single Ambig)
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 647, 648, 647, 648,
 igr2=1019,1020,
 &end
#
#    0 AMB  20-2:2059     0 AMB  20-1:2059   4.50    (#   2059:20  Double Ambig)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 647, 648, 647, 648,
 igr2=1019,1020,1019,1020,
 &end
#
#    0 AMB  20-2:2060    74 GLY  HA-         5.50    (#   2060:20  Single Ambig)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1171,1172,1171,1172,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:2061    74 GLY  HA-         4.50    (#   2061:20  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1149,1150, 800, 801, 802,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:2062     0 AMB  20-1:2062   5.50    (#   2062:20  Double Ambig)
 &rst
  ixpk= 2062, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1149,1150, 800, 801, 802,
 igr2=1140,1141,1140,1141,
 &end
#
#   75 LEU  HB+          74 GLY  HA+         5.50    (#   2063:20  Unique         4.28, 5.12 A)
 &rst
  ixpk= 2063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1149,1150,
 igr2=1140,1141,
 &end
#
#   75 LEU  HB+          74 GLY  HA-         5.50    (#   2064:20  Unique         4.28, 5.12 A)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1149,1150,
 igr2=1140,1141,
 &end
#
#   49 ASN  HA           74 GLY  HA+         5.50    (#   2065:20  Unique         2.37, 4.35 A)
 &rst
  ixpk= 2065, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1140,1141,
 &end
#
#   49 ASN  HA           74 GLY  HA-         5.50    (#   2066:20  Unique         2.37, 4.35 A)
 &rst
  ixpk= 2066, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1140,1141,
 &end
#
#   76 LYS  HN           74 GLY  HA-         5.50    (#   2067:20  Unique         3.11, 4.06 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1140,1141,
 &end
#
#   76 LYS  HN           74 GLY  HA+         5.50    (#   2068:20  Unique         3.11, 4.06 A)
 &rst
  ixpk= 2068, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1140,1141,
 &end
#
#   49 ASN  HA            8 ARG  HD-         5.50    (#   2071:20  Unique         2.73, 5.40 A)
 &rst
  ixpk= 2071, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#   12 GLN  HE2+          8 ARG  HD-         4.50    (#   2074:20  Unique         2.11, 4.75 A)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 198, 199,
 igr2= 127, 128,
 &end
#
#   12 GLN  HN            8 ARG  HD-         4.50    (#   2075:20  Unique         3.66, 4.79 A)
 &rst
  ixpk= 2075, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 127, 128,
 &end
#
#   13 TYR  HN            8 ARG  HD+         4.50    (#   2076:20  Unique         3.03, 4.60 A)
 &rst
  ixpk= 2076, nxpk= 20, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 127, 128,
 &end
#
#   12 GLN  HN            8 ARG  HD+         4.50    (#   2077:20  Unique         3.66, 4.79 A)
 &rst
  ixpk= 2077, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:2078     0 AMB  20-1:2078   4.50    (#   2078:20  Double Ambig)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 791, 792, 141,
 igr2= 127, 128, 127, 128,
 &end
#
#    9 VAL  HN            8 ARG  HD-         5.50    (#   2079:20  Unique         2.32, 4.27 A)
 &rst
  ixpk= 2079, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#    8 ARG  HE            8 ARG  HD-         4.50    (#   2080:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 2080, nxpk= 20, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 127, 128,
 &end
#
#    8 ARG  HE            8 ARG  HD+         4.50    (#   2081:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 2081, nxpk= 20, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 127, 128,
 &end
#
#   24 ILE  HG1+         32 ARG  HD+         5.50    (#   2082:20  Unique         2.84, 5.88 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 383, 384,
 igr2= 525, 526,
 &end
#
#   24 ILE  HG1+         32 ARG  HD-         5.50    (#   2083:20  Unique         2.84, 5.88 A)
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 383, 384,
 igr2= 525, 526,
 &end
#
#   28 GLU  HG-          32 ARG  HD-         4.50    (#   2084:20  Unique         2.55, 4.67 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 454, 455,
 igr2= 525, 526,
 &end
#
#   28 GLU  HG-          32 ARG  HD+         4.50    (#   2085:20  Unique         2.55, 4.67 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 454, 455,
 igr2= 525, 526,
 &end
#
#   24 ILE  HA           32 ARG  HD-         5.50    (#   2087:20  Unique         4.08, 5.54 A)
 &rst
  ixpk= 2087, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 525, 526,
 &end
#
#   32 ARG  HN           32 ARG  HD+         5.50    (#   2088:20  Unique         3.81, 5.06 A)
 &rst
  ixpk= 2088, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 525, 526,
 &end
#
#   32 ARG  HN           32 ARG  HD-         5.50    (#   2089:20  Unique         3.81, 5.06 A)
 &rst
  ixpk= 2089, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 525, 526,
 &end
#
#   23 ASN  HB-           6 ASP  HB+         5.50    (#   2090:20  Unique         4.27, 6.14 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2=  93,  94,
 &end
#
#    5 ILE  QG2           6 ASP  HB+         5.50    (#   2091:20  Unique         4.27, 5.86 A)
 &rst
  ixpk= 2091, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  76,  77,  78,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:2092     0 AMB  20-1:2092   4.50    (#   2092:20  Double Ambig)
 &rst
  ixpk= 2092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 334, 335, 336,
 igr2=  93,  94,  93,  94,
 &end
#
#   23 ASN  HD2-          6 ASP  HB+         4.50    (#   2093:20  Unique         2.78, 5.42 A)
 &rst
  ixpk= 2093, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 368, 369,
 igr2=  93,  94,
 &end
#
#   23 ASN  HD2-          6 ASP  HB-         5.50    (#   2094:20  Unique         2.78, 5.42 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2=  93,  94,
 &end
#
#   47 TYR  HE            6 ASP  HB+         5.50    (#   2095:20  Unique         2.32, 4.68 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 760, 765,
 igr2=  93,  94,
 &end
#
#   13 TYR  HD            6 ASP  HB+         5.50    (#   2096:20  Unique         2.09, 5.28 A)
 &rst
  ixpk= 2096, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 211, 220,
 igr2=  93,  94,
 &end
#
#   47 TYR  HE            6 ASP  HB-         4.50    (#   2097:20  Unique         2.32, 4.68 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 760, 765,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:2098     6 ASP  HB-         4.50    (#   2098:20  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 211, 220, 760, 765,
 igr2=  93,  94,
 &end
#
#   24 ILE  HN            6 ASP  HB-         4.50    (#   2099:20  Unique         2.45, 3.90 A)
 &rst
  ixpk= 2099, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  93,  94,
 &end
#
#    4 TRP  HE3          47 TYR  HB+         3.50    (#   2103:20  Unique         3.51, 4.28 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#    4 TRP  HE3          47 TYR  HB-         4.50    (#   2104:20  Unique         3.51, 4.28 A)
 &rst
  ixpk= 2104, nxpk= 20, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 754, 755,
 &end
#
#   47 TYR  HD           47 TYR  HB-         4.50    (#   2105:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 758, 767,
 igr2= 754, 755,
 &end
#
#   26 LEU  MDY          26 LEU  HB+         3.50    (#   2106:20  Unique         2.05, 3.28 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 410, 411,
 &end
#
#   53 GLN  HE2+         26 LEU  HB+         4.50    (#   2107:20  Unique         2.77, 4.99 A)
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 849, 850,
 igr2= 410, 411,
 &end
#
#    7 VAL  MGX          26 LEU  HB-         4.50    (#   2108:20  Unique         2.66, 5.47 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:2109    26 LEU  HB-         5.50    (#   2109:20  Single Ambig)
 &rst
  ixpk= 2109, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 775, 776, 393, 394,
 igr2= 410, 411,
 &end
#
#   27 LYS  HN           26 LEU  HB-         4.50    (#   2110:20  Unique         1.93, 3.28 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 410, 411,
 &end
#
#    7 VAL  MGY          26 LEU  HB-         5.50    (#   2111:20  Unique         2.66, 5.47 A)
 &rst
  ixpk= 2111, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:2112    82 LYS  HE-         2.80    (#   2112:20  Single Ambig)
 &rst
  ixpk= 2112, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1152,1268,1269,1202,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:2113     0 AMB  20-1:2113   2.80    (#   2113:20  Double Ambig)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1265,1266,1268,1269,
 igr2=1271,1272,1271,1272,
 &end
#
#    0 AMB  20-2:2114     0 AMB  20-1:2114   2.80    (#   2114:20  Double Ambig)
 &rst
  ixpk= 2114, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1152,1268,1269,1202,
 igr2=1271,1272,1271,1272,1271,1272,
 &end
#
#   80 MET  HN           82 LYS  HE-         5.50    (#   2115:20  Unique         3.06, 4.17 A)
 &rst
  ixpk= 2115, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1271,1272,
 &end
#
#   78 ILE  HN           82 LYS  HE+         5.50    (#   2116:20  Unique         3.58, 5.19 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1271,1272,
 &end
#
#   78 ILE  HN           82 LYS  HE-         5.50    (#   2117:20  Unique         3.58, 5.19 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1271,1272,
 &end
#
#   77 ASP  HN           77 ASP  HB+         3.50    (#   2118:20  Unique         2.07, 3.00 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1190,1191,
 &end
#
#    0 AMB  20-2:2119     0 AMB  20-1:2119   4.50    (#   2119:20  Double Ambig)
 &rst
  ixpk= 2119, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 740, 741, 742, 744, 745, 746,
 igr2= 912, 913, 912, 913, 912, 913,
 &end
#
#    0 AMB  20-2:2120    58 LYS  HE-         4.50    (#   2120:20  Single Ambig)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 740, 741, 742, 744, 745, 746,
 igr2= 912, 913,
 &end
#
#   69 VAL  HB           58 LYS  HE+         4.50    (#   2121:20  Unique         2.13, 4.15 A)
 &rst
  ixpk= 2121, nxpk= 20, iat=1080,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:2122     0 AMB  20-1:2122   4.50    (#   2122:20  Double Ambig)
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1=1080, 429, 430, 429, 430, 396, 397,1168,1169,
 igr2= 912, 913, 912, 913, 438, 439, 438, 439, 438, 439,
      1177,1178,
 &end
#
#   70 GLU  HA           58 LYS  HE+         5.50    (#   2123:20  Unique         2.00, 3.72 A)
 &rst
  ixpk= 2123, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 912, 913,
 &end
#
#   70 GLU  HA            0 AMB  20-1:2124   5.50    (#   2124:20  Single Ambig)
 &rst
  ixpk= 2124, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 912, 913, 912, 913,
 &end
#
#    0 AMB  20-2:2127     0 AMB  20-1:2127   5.50    (#   2127:20  Double Ambig)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 638, 639, 638, 639,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  20-2:2128     0 AMB  20-1:2128   4.50    (#   2128:20  Double Ambig)
 &rst
  ixpk= 2128, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1019,1020,1019,1020,
 igr2= 647, 648, 647, 648,
 &end
#
#   40 LYS  HA            0 AMB  20-1:2129   4.50    (#   2129:20  Single Ambig)
 &rst
  ixpk= 2129, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  20-2:2130     0 AMB  20-1:2130   5.50    (#   2130:20  Double Ambig)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1026, 624,
 igr2= 647, 648, 647, 648, 647, 648,
 &end
#
#   40 LYS  HN            0 AMB  20-1:2131   5.50    (#   2131:20  Single Ambig)
 &rst
  ixpk= 2131, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 647, 648, 647, 648,
 &end
#
#   70 GLU  HB+          45 LYS  HE+         5.50    (#   2133:20  Unique         2.21, 4.11 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1096,1097,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:2134    45 LYS  HE-         5.50    (#   2134:20  Single Ambig)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  21,  22,  21,  22,
 igr2= 725, 726,
 &end
#
#   70 GLU  HB+          45 LYS  HE-         5.50    (#   2135:20  Unique         2.21, 4.11 A)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1096,1097,
 igr2= 725, 726,
 &end
#
#   70 GLU  HB-          45 LYS  HE-         5.50    (#   2136:20  Unique         2.21, 4.11 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1096,1097,
 igr2= 725, 726,
 &end
#
#   49 ASN  HA           75 LEU  HB+         5.50    (#   2138:20  Unique         2.17, 4.39 A)
 &rst
  ixpk= 2138, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1149,1150,
 &end
#
#   49 ASN  HA           75 LEU  HB-         5.50    (#   2139:20  Unique         2.17, 4.39 A)
 &rst
  ixpk= 2139, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1149,1150,
 &end
#
#   47 TYR  HE           75 LEU  HB-         5.50    (#   2140:20  Unique         2.21, 6.88 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 760, 765,
 igr2=1149,1150,
 &end
#
#   76 LYS  HN           75 LEU  HB-         5.50    (#   2142:20  Unique         2.25, 3.65 A)
 &rst
  ixpk= 2142, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:2143     0 AMB  20-1:2143   5.50    (#   2143:20  Double Ambig)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=  21,  22,  21,  22,
 igr2= 725, 726, 725, 726,
 &end
#
#   74 GLY  HN           77 ASP  HB-         5.50    (#   2144:20  Unique         2.67, 4.29 A)
 &rst
  ixpk= 2144, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1190,1191,
 &end
#
#    0 AMB  20-2:2145    77 ASP  HB-         5.50    (#   2145:20  Single Ambig)
 &rst
  ixpk= 2145, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1208,1209,1168,1169,
 igr2=1190,1191,
 &end
#
#   77 ASP  HA           77 ASP  HB-         3.50    (#   2146:20  Unique         2.40, 2.81 A)
 &rst
  ixpk= 2146, nxpk= 20, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1190,1191,
 &end
#
#   44 VAL  MGY          42 ASP  HB+         4.50    (#   2147:20  Unique         3.78, 6.67 A)
 &rst
  ixpk= 2147, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 674, 675,
 &end
#
#   44 VAL  MGY          42 ASP  HB-         4.50    (#   2148:20  Unique         3.78, 6.67 A)
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 674, 675,
 &end
#
#   39 ASP  HA           39 ASP  HB+         3.50    (#   2149:20  Unique         2.40, 2.82 A)
 &rst
  ixpk= 2149, nxpk= 20, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 626, 627,
 &end
#
#   41 ASN  HD2-          0 AMB  20-1:2151   5.50    (#   2151:20  Single Ambig)
 &rst
  ixpk= 2151, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 665, 666,
 igr2= 626, 627, 674, 675,
 &end
#
#    3 HIS  HD2          42 ASP  HB+         4.50    (#   2152:20  Unique         2.55, 3.15 A)
 &rst
  ixpk= 2152, nxpk= 20, iat=  42,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 674, 675,
 &end
#
#   42 ASP  HN           42 ASP  HB-         3.50    (#   2153:20  Unique         2.14, 3.08 A)
 &rst
  ixpk= 2153, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 674, 675,
 &end
#
#   41 ASN  HN           39 ASP  HB+         4.50    (#   2154:20  Unique         2.22, 3.26 A)
 &rst
  ixpk= 2154, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 626, 627,
 &end
#
#    0 AMB  20-2:2156    39 ASP  HB-         4.50    (#   2156:20  Single Ambig)
 &rst
  ixpk= 2156, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 612, 613, 612, 613,
 igr2= 626, 627,
 &end
#
#    0 AMB  20-2:2157     0 AMB  20-1:2157   5.50    (#   2157:20  Double Ambig)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 612, 613, 612, 613,
 igr2= 626, 627, 626, 627,
 &end
#
#   42 ASP  HN           39 ASP  HB-         5.50    (#   2158:20  Unique         2.04, 3.49 A)
 &rst
  ixpk= 2158, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 626, 627,
 &end
#
#    0 AMB  20-2:2159    39 ASP  HB-         4.50    (#   2159:20  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 634, 665, 666,
 igr2= 626, 627,
 &end
#
#    0 AMB  20-2:2160     0 AMB  20-1:2160   5.50    (#   2160:20  Double Ambig)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 634, 665, 666,
 igr2= 626, 627, 626, 627, 674, 675,
 &end
#
#   41 ASN  HN           39 ASP  HB-         5.50    (#   2161:20  Unique         2.22, 3.26 A)
 &rst
  ixpk= 2161, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 626, 627,
 &end
#
#   66 TYR  HB+          61 LEU  HB+         5.50    (#   2162:20  Unique         2.79, 4.43 A)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#   61 LEU  HG           61 LEU  HB-         3.50    (#   2164:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 2164, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:2165    61 LEU  HB-         4.50    (#   2165:20  Single Ambig)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 901, 891,
 igr2= 959, 960,
 &end
#
#   66 TYR  HD           61 LEU  HB-         5.50    (#   2166:20  Unique         2.00, 5.00 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1032,1041,
 igr2= 959, 960,
 &end
#
#   66 TYR  HN           61 LEU  HB-         5.50    (#   2167:20  Unique         4.59, 5.57 A)
 &rst
  ixpk= 2167, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 959, 960,
 &end
#
#   62 SER  HN           61 LEU  HB-         4.50    (#   2169:20  Unique         2.43, 3.32 A)
 &rst
  ixpk= 2169, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:2170    61 LEU  HB-         5.50    (#   2170:20  Single Ambig)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 976,1026,
 igr2= 959, 960,
 &end
#
#   21 ALA  HA           22 ILE  HB          5.50    (#   2171:20  Unique         4.90, 5.00 A)
 &rst
  ixpk= 2171, nxpk= 20, iat= 332, 344, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2172     0 AMB  20-1:2172   4.50    (#   2172:20  Double Ambig)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 791, 792, 670,
 igr2= 786, 787, 660, 661,
 &end
#
#   42 ASP  HN           41 ASN  HB-         5.50    (#   2173:20  Unique         2.66, 3.68 A)
 &rst
  ixpk= 2173, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#   41 ASN  HD2-         41 ASN  HB+         4.50    (#   2174:20  Unique         2.12, 3.30 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#   41 ASN  HD2-         41 ASN  HB-         4.50    (#   2175:20  Unique         2.12, 3.30 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#    0 AMB  20-2:2176     0 AMB  20-1:2176   2.80    (#   2176:20  Double Ambig)
 &rst
  ixpk= 2176, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 658, 784,
 igr2= 660, 661, 786, 787,
 &end
#
#    0 AMB  20-2:2179    49 ASN  HB-         5.50    (#   2179:20  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 800, 801, 802, 820, 821,1149,1150,
 igr2= 786, 787,
 &end
#
#    0 AMB  20-2:2180     0 AMB  20-1:2180   5.50    (#   2180:20  Double Ambig)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1= 800, 801, 802, 820, 821,1149,1150,
 igr2= 786, 787, 786, 787, 786, 787,
 &end
#
#   57 ALA  HA           60 ILE  HB          2.80    (#   2181:20  Unique         2.10, 2.55 A)
 &rst
  ixpk= 2181, nxpk= 20, iat= 891, 940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 LEU  HN           60 ILE  HB          3.50    (#   2182:20  Unique         1.99, 2.38 A)
 &rst
  ixpk= 2182, nxpk= 20, iat= 955, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 LYS  HE+          78 ILE  HB          4.50    (#   2183:20  Unique         2.27, 3.74 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1271,1272,
 &end
#
#   77 ASP  HN           78 ILE  HB          5.50    (#   2185:20  Unique         3.80, 4.45 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=1186,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  HA           78 ILE  HB          3.50    (#   2186:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=1200,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 TYR  HB-          23 ASN  HB-         5.50    (#   2187:20  Unique         4.87, 6.71 A)
 &rst
  ixpk= 2187, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 363, 364,
 &end
#
#    6 ASP  HB+          23 ASN  HB-         5.50    (#   2188:20  Unique         4.27, 6.14 A)
 &rst
  ixpk= 2188, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  93,  94,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2-         23 ASN  HB+         4.50    (#   2189:20  Unique         2.57, 3.51 A)
 &rst
  ixpk= 2189, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2-         23 ASN  HB-         4.50    (#   2190:20  Unique         2.57, 3.51 A)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2+         23 ASN  HB+         5.50    (#   2191:20  Unique         2.57, 3.51 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   24 ILE  HN           23 ASN  HB+         5.50    (#   2192:20  Unique         4.25, 4.51 A)
 &rst
  ixpk= 2192, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2+         23 ASN  HB-         5.50    (#   2193:20  Unique         2.57, 3.51 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   24 ILE  HN           23 ASN  HB-         4.50    (#   2194:20  Unique         4.25, 4.51 A)
 &rst
  ixpk= 2194, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 363, 364,
 &end
#
#   22 ILE  HA           23 ASN  HB+         5.50    (#   2195:20  Unique         4.11, 4.57 A)
 &rst
  ixpk= 2195, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 363, 364,
 &end
#
#   22 ILE  HA           23 ASN  HB-         5.50    (#   2196:20  Unique         4.11, 4.57 A)
 &rst
  ixpk= 2196, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 363, 364,
 &end
#
#   29 VAL  HA           24 ILE  HB          5.50    (#   2197:20  Unique         2.23, 2.96 A)
 &rst
  ixpk= 2197, nxpk= 20, iat= 464, 377, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2198    24 ILE  HB          4.50    (#   2198:20  Single Ambig)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 462, 373,
 &end
#
#   29 VAL  HA           33 ILE  HB          4.50    (#   2199:20  Unique         2.94, 3.52 A)
 &rst
  ixpk= 2199, nxpk= 20, iat= 464, 543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 ARG  HN           33 ILE  HB          5.50    (#   2200:20  Unique         4.22, 4.52 A)
 &rst
  ixpk= 2200, nxpk= 20, iat= 515, 543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ALA  HN           33 ILE  HB          5.50    (#   2201:20  Unique         3.95, 3.96 A)
 &rst
  ixpk= 2201, nxpk= 20, iat= 558, 543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2202     0 AMB  20-1:2202   5.50    (#   2202:20  Double Ambig)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 399, 400, 228, 229, 228, 229,
 igr2= 207, 208, 207, 208, 207, 208,
 &end
#
#   14 GLN  HE2-         13 TYR  HB+         5.50    (#   2203:20  Unique         3.85, 6.60 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 236, 237,
 igr2= 207, 208,
 &end
#
#   23 ASN  HD2-         13 TYR  HB-         5.50    (#   2205:20  Unique         2.27, 4.17 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 207, 208,
 &end
#
#   12 GLN  HN           13 TYR  HB+         4.50    (#   2208:20  Unique         4.36, 4.63 A)
 &rst
  ixpk= 2208, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   13 TYR  HN           13 TYR  HB-         3.50    (#   2209:20  Unique         2.23, 2.54 A)
 &rst
  ixpk= 2209, nxpk= 20, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 207, 208,
 &end
#
#   71 ASN  HD2-         71 ASN  HB+         4.50    (#   2210:20  Unique         2.52, 3.49 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117,
 igr2=1111,1112,
 &end
#
#   71 ASN  HD2-         71 ASN  HB-         4.50    (#   2211:20  Unique         2.52, 3.49 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117,
 igr2=1111,1112,
 &end
#
#   70 GLU  HA           71 ASN  HB-         5.50    (#   2212:20  Unique         4.07, 4.77 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1111,1112,
 &end
#
#   70 GLU  HA           71 ASN  HB+         5.50    (#   2213:20  Unique         4.07, 4.77 A)
 &rst
  ixpk= 2213, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1111,1112,
 &end
#
#    0 AMB  20-2:2214     0 AMB  20-1:2214   5.50    (#   2214:20  Double Ambig)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 867, 868, 858, 859,
 igr2=1111,1112,1111,1112,
 &end
#
#    0 AMB  20-2:2215    71 ASN  HB-         4.50    (#   2215:20  Single Ambig)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 867, 868, 858, 859,
 igr2=1111,1112,
 &end
#
#   58 LYS  HD+          71 ASN  HB+         4.50    (#   2216:20  Unique         2.00, 4.30 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 909, 910,
 igr2=1111,1112,
 &end
#
#   58 LYS  HD+          71 ASN  HB-         4.50    (#   2217:20  Unique         2.00, 4.30 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 909, 910,
 igr2=1111,1112,
 &end
#
#   58 LYS  HD-          71 ASN  HB+         4.50    (#   2218:20  Unique         2.00, 4.30 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 909, 910,
 igr2=1111,1112,
 &end
#
#   46 VAL  MGX          71 ASN  HB+         5.50    (#   2219:20  Unique         4.21, 6.78 A)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2=1111,1112,
 &end
#
#   46 VAL  MGX          71 ASN  HB-         4.50    (#   2220:20  Unique         4.21, 6.78 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2=1111,1112,
 &end
#
#   83 VAL  HN           16 GLU  HG+         5.50    (#   2221:20  Unique         2.65, 4.20 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 265, 266,
 &end
#
#   83 VAL  HN           16 GLU  HG-         5.50    (#   2222:20  Unique         2.65, 4.20 A)
 &rst
  ixpk= 2222, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 265, 266,
 &end
#
#   75 LEU  MDY          16 GLU  HG+         4.50    (#   2223:20  Unique         2.00, 4.89 A)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2= 265, 266,
 &end
#
#   75 LEU  MDY          16 GLU  HG-         5.50    (#   2224:20  Unique         2.00, 4.89 A)
 &rst
  ixpk= 2224, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2= 265, 266,
 &end
#
#   12 GLN  HN            0 AMB  20-1:2225   4.50    (#   2225:20  Single Ambig)
 &rst
  ixpk= 2225, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 178, 179, 178, 179,
 &end
#
#   28 GLU  HA            0 AMB  20-1:2228   5.50    (#   2228:20  Single Ambig)
 &rst
  ixpk= 2228, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 507, 508, 507, 508,
 &end
#
#   24 ILE  QG2          28 GLU  HG+         5.50    (#   2229:20  Unique         2.01, 4.69 A)
 &rst
  ixpk= 2229, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 380, 381,
 igr2= 454, 455,
 &end
#
#   24 ILE  QG2          28 GLU  HG-         5.50    (#   2230:20  Unique         2.01, 4.69 A)
 &rst
  ixpk= 2230, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 380, 381,
 igr2= 454, 455,
 &end
#
#   32 ARG  HB-          28 GLU  HG+         4.50    (#   2231:20  Unique         2.40, 4.91 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 519, 520,
 igr2= 454, 455,
 &end
#
#   25 PRO  HD+          28 GLU  HG+         4.50    (#   2232:20  Unique         2.33, 5.18 A)
 &rst
  ixpk= 2232, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 454, 455,
 &end
#
#   32 ARG  HD-          28 GLU  HG-         4.50    (#   2233:20  Unique         2.55, 4.67 A)
 &rst
  ixpk= 2233, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 525, 526,
 igr2= 454, 455,
 &end
#
#   25 PRO  HD+          28 GLU  HG-         5.50    (#   2234:20  Unique         2.33, 5.18 A)
 &rst
  ixpk= 2234, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 394,
 igr2= 454, 455,
 &end
#
#   32 ARG  HD-          28 GLU  HG+         4.50    (#   2235:20  Unique         2.55, 4.67 A)
 &rst
  ixpk= 2235, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 525, 526,
 igr2= 454, 455,
 &end
#
#   29 VAL  HN           28 GLU  HG+         5.50    (#   2236:20  Unique         2.21, 4.59 A)
 &rst
  ixpk= 2236, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 454, 455,
 &end
#
#   29 VAL  HN           28 GLU  HG-         5.50    (#   2237:20  Unique         2.21, 4.59 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:2238     0 AMB  20-1:2238   5.50    (#   2238:20  Double Ambig)
 &rst
  ixpk= 2238, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 719, 720, 716, 717,
 igr2=  21,  22,  21,  22,  21,  22,
 &end
#
#    4 TRP  HE1           0 AMB  20-1:2239   4.50    (#   2239:20  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:2240    66 TYR  HB-         4.50    (#   2240:20  Single Ambig)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:2241     0 AMB  20-1:2241   5.50    (#   2241:20  Double Ambig)
 &rst
  ixpk= 2241, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2=1028,1029,1028,1029,
 &end
#
#    0 AMB  20-2:2242     0 AMB  20-1:2242   5.50    (#   2242:20  Double Ambig)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 957, 978, 979, 978, 979,1047,
 igr2=1028,1029,1028,1029,1028,1029,1028,1029,
 &end
#
#    0 AMB  20-2:2243    66 TYR  HB-         4.50    (#   2243:20  Single Ambig)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 957,1047,
 igr2=1028,1029,
 &end
#
#   67 THR  HN           66 TYR  HB+         4.50    (#   2245:20  Unique         2.43, 3.66 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1028,1029,
 &end
#
#   65 GLY  HN           66 TYR  HB-         5.50    (#   2246:20  Unique         3.66, 4.60 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1028,1029,
 &end
#
#   68 HIS  HN           66 TYR  HB+         5.50    (#   2247:20  Unique         2.57, 3.40 A)
 &rst
  ixpk= 2247, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1028,1029,
 &end
#
#   60 ILE  HA           63 GLU  HG+         4.50    (#   2248:20  Unique         2.47, 4.54 A)
 &rst
  ixpk= 2248, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 992, 993,
 &end
#
#    9 VAL  MGX           0 AMB  20-1:2249   4.50    (#   2249:20  Single Ambig)
 &rst
  ixpk= 2249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 178, 179, 178, 179,
 &end
#
#    7 VAL  MGX          53 GLN  HG-         5.50    (#   2250:20  Unique         2.48, 6.18 A)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:2251     0 AMB  20-1:2251   2.80    (#   2251:20  Double Ambig)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 841, 842, 161, 162,
 igr2= 844, 845, 178, 179, 178, 179,
 &end
#
#   53 GLN  HE2+         53 GLN  HG+         5.50    (#   2253:20  Unique         2.12, 3.30 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 849, 850,
 igr2= 844, 845,
 &end
#
#   53 GLN  HE2+         53 GLN  HG-         4.50    (#   2254:20  Unique         2.12, 3.30 A)
 &rst
  ixpk= 2254, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 849, 850,
 igr2= 844, 845,
 &end
#
#   53 GLN  HN           53 GLN  HG+         5.50    (#   2255:20  Unique         2.03, 4.03 A)
 &rst
  ixpk= 2255, nxpk= 20, iat= 837,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 844, 845,
 &end
#
#   16 GLU  HG+          82 LYS  HB-         4.50    (#   2256:20  Unique         2.00, 3.34 A)
 &rst
  ixpk= 2256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 265, 266,
 igr2=1262,1263,
 &end
#
#    0 AMB  20-2:2257     0 AMB  20-1:2257   5.50    (#   2257:20  Double Ambig)
 &rst
  ixpk= 2257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1271,1272,1309,1310,
 igr2=1262,1263,1262,1263,
 &end
#
#    0 AMB  20-2:2258    82 LYS  HB-         5.50    (#   2258:20  Single Ambig)
 &rst
  ixpk= 2258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1271,1272,1309,1310,
 igr2=1262,1263,
 &end
#
#   18 VAL  HA           82 LYS  HB+         5.50    (#   2259:20  Unique         3.33, 4.67 A)
 &rst
  ixpk= 2259, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1262,1263,
 &end
#
#    0 AMB  20-2:2260     0 AMB  20-1:2260   5.50    (#   2260:20  Double Ambig)
 &rst
  ixpk= 2260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1282,1254,
 igr2=1262,1263,1262,1263,
 &end
#
#    0 AMB  20-2:2261    82 LYS  HB-         5.50    (#   2261:20  Single Ambig)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1282,1254,
 igr2=1262,1263,
 &end
#
#    0 AMB  20-2:2262     0 AMB  20-1:2262   5.50    (#   2262:20  Double Ambig)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 719, 720, 719, 720,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:2263     0 AMB  20-1:2263   5.50    (#   2263:20  Double Ambig)
 &rst
  ixpk= 2263, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 714,1109,
 igr2=1099,1100,1099,1100,1099,1100,
 &end
#
#   70 GLU  HN            0 AMB  20-1:2264   4.50    (#   2264:20  Single Ambig)
 &rst
  ixpk= 2264, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1099,1100,1099,1100,
 &end
#
#   43 THR  MG2           0 AMB  20-1:2265   5.50    (#   2265:20  Single Ambig)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 688, 689, 690,
 igr2=1099,1100,1099,1100,
 &end
#
#   81 PRO  HD+          80 MET  HB-         5.50    (#   2266:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2=1231,1232,
 &end
#
#   80 MET  HN           80 MET  HB+         4.50    (#   2267:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1231,1232,
 &end
#
#   66 TYR  HE           64 MET  HB+         5.50    (#   2269:20  Unique         2.57, 5.37 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1034,1039,
 igr2=1004,1005,
 &end
#
#   66 TYR  HD           64 MET  HB+         4.50    (#   2270:20  Unique         2.11, 4.92 A)
 &rst
  ixpk= 2270, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1032,1041,
 igr2=1004,1005,
 &end
#
#   26 LEU  MDY          56 GLN  HG+         4.50    (#   2271:20  Unique         3.62, 6.32 A)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 879, 880,
 &end
#
#   56 GLN  HE2-         56 GLN  HG+         5.50    (#   2272:20  Unique         2.13, 3.32 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 884, 885,
 igr2= 879, 880,
 &end
#
#    0 AMB  20-2:2273     0 AMB  20-1:2273   5.50    (#   2273:20  Double Ambig)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 889, 899,
 igr2= 879, 880, 879, 880,
 &end
#
#    0 AMB  20-2:2274     0 AMB  20-1:2274   5.50    (#   2274:20  Double Ambig)
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 889, 955,
 igr2= 879, 880,1004,1005,
 &end
#
#   85 GLY  HN           84 LYS  HB-         5.50    (#   2275:20  Unique         1.95, 3.20 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1300,1301,
 &end
#
#   70 GLU  HN           44 VAL  HB          4.50    (#   2276:20  Unique         3.46, 3.98 A)
 &rst
  ixpk= 2276, nxpk= 20, iat=1092, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 LYS  HN           44 VAL  HB          5.50    (#   2277:20  Unique         3.77, 4.35 A)
 &rst
  ixpk= 2277, nxpk= 20, iat= 712, 700, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 GLN  HG+          83 VAL  HB          5.50    (#   2279:20  Unique         3.87, 5.46 A)
 &rst
  ixpk= 2279, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 313, 314,
 &end
#
#    0 AMB  20-2:2281     0 AMB  20-1:2281   4.50    (#   2281:20  Double Ambig)
 &rst
  ixpk= 2281, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2= 700, 738,
 &end
#
#    0 AMB  20-2:2282     0 AMB  20-1:2282   2.80    (#   2282:20  Double Ambig)
 &rst
  ixpk= 2282, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 702, 703, 704, 706, 707, 708, 740, 741,
       742, 744, 745, 746,
 igr2= 700, 738,
 &end
#
#   54 SER  HB-          46 VAL  HB          4.50    (#   2283:20  Unique         2.46, 3.80 A)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#    0 AMB  20-2:2284    46 VAL  HB          3.50    (#   2284:20  Single Ambig)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 858, 859, 856,
 &end
#
#    0 AMB  20-2:2285     0 AMB  20-1:2285   4.50    (#   2285:20  Double Ambig)
 &rst
  ixpk= 2285, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 714,1109,
 igr2= 700, 738,
 &end
#
#    0 AMB  20-2:2286     0 AMB  20-1:2286   5.50    (#   2286:20  Double Ambig)
 &rst
  ixpk= 2286, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1121,  70,
 igr2= 738, 700,
 &end
#
#   12 GLN  HA           15 GLN  HG+         4.50    (#   2287:20  Unique         2.14, 3.86 A)
 &rst
  ixpk= 2287, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 248, 249,
 &end
#
#   15 GLN  HE2+         15 GLN  HG+         5.50    (#   2288:20  Unique         2.12, 3.23 A)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 253, 254,
 igr2= 248, 249,
 &end
#
#   16 GLU  HN           15 GLN  HG+         5.50    (#   2289:20  Unique         2.09, 4.86 A)
 &rst
  ixpk= 2289, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:2292     3 HIS  HB-         4.50    (#   2292:20  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  80,  81,  80,  81,
 igr2=  33,  34,
 &end
#
#    0 AMB  20-2:2293     0 AMB  20-1:2293   4.50    (#   2293:20  Double Ambig)
 &rst
  ixpk= 2293, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=  80,  81,  80,  81,
 igr2=  33,  34,  33,  34,
 &end
#
#    4 TRP  HB+           3 HIS  HB-         4.50    (#   2294:20  Unique         4.99, 5.91 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  50,  51,
 igr2=  33,  34,
 &end
#
#    3 HIS  HD2           3 HIS  HB-         4.50    (#   2295:20  Unique         2.69, 3.17 A)
 &rst
  ixpk= 2295, nxpk= 20, iat=  42,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  33,  34,
 &end
#
#    3 HIS  HD2           3 HIS  HB+         5.50    (#   2296:20  Unique         2.69, 3.17 A)
 &rst
  ixpk= 2296, nxpk= 20, iat=  42,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#   45 LYS  HN            3 HIS  HB-         5.50    (#   2297:20  Unique         3.50, 4.56 A)
 &rst
  ixpk= 2297, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#   45 LYS  HN            3 HIS  HB+         5.50    (#   2298:20  Unique         3.50, 4.56 A)
 &rst
  ixpk= 2298, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#    4 TRP  HN            3 HIS  HB-         4.50    (#   2299:20  Unique         2.45, 3.23 A)
 &rst
  ixpk= 2299, nxpk= 20, iat=  46,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  33,  34,
 &end
#
#    0 AMB  20-2:2300     0 AMB  20-1:2300   4.50    (#   2300:20  Double Ambig)
 &rst
  ixpk= 2300, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 236, 237, 211, 220,
 igr2= 231, 232, 231, 232, 231, 232,
 &end
#
#   15 GLN  HN            0 AMB  20-1:2301   5.50    (#   2301:20  Single Ambig)
 &rst
  ixpk= 2301, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:2302     0 AMB  20-1:2302   4.50    (#   2302:20  Double Ambig)
 &rst
  ixpk= 2302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 236, 237, 236, 237,
 igr2= 231, 232, 231, 232,
 &end
#
#   83 VAL  MGY          19 GLN  HG+         5.50    (#   2303:20  Unique         2.00, 5.18 A)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 313, 314,
 &end
#
#   19 GLN  HE2+         19 GLN  HG+         5.50    (#   2305:20  Unique         2.36, 3.45 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 318, 319,
 igr2= 313, 314,
 &end
#
#   19 GLN  HE2+         19 GLN  HG-         5.50    (#   2306:20  Unique         2.36, 3.45 A)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 318, 319,
 igr2= 313, 314,
 &end
#
#   19 GLN  HN           19 GLN  HG+         5.50    (#   2307:20  Unique         3.09, 4.37 A)
 &rst
  ixpk= 2307, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   19 GLN  HN           19 GLN  HG-         5.50    (#   2308:20  Unique         3.09, 4.37 A)
 &rst
  ixpk= 2308, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   83 VAL  MGY          19 GLN  HG-         5.50    (#   2310:20  Unique         2.00, 5.18 A)
 &rst
  ixpk= 2310, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 313, 314,
 &end
#
#   70 GLU  HN            0 AMB  20-1:2311   4.50    (#   2311:20  Single Ambig)
 &rst
  ixpk= 2311, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1080,1096,1097,
 &end
#
#    0 AMB  20-2:2312    70 GLU  HB-         5.50    (#   2312:20  Single Ambig)
 &rst
  ixpk= 2312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
 igr1= 722, 723, 702, 703, 704, 706, 707, 708, 740, 741,
       742, 744, 745, 746,1082,1083,1084,1086,1087,1088,
      
 igr2=1096,1097,
 &end
#
#   46 VAL  HN           70 GLU  HB-         5.50    (#   2314:20  Unique         3.90, 5.31 A)
 &rst
  ixpk= 2314, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1096,1097,
 &end
#
#    9 VAL  MGY          25 PRO  HB+         4.50    (#   2315:20  Unique         3.81, 5.99 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 399, 400,
 &end
#
#   25 PRO  HD-          25 PRO  HB+         4.50    (#   2316:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#   26 LEU  HN           25 PRO  HB+         4.50    (#   2317:20  Unique         2.34, 3.70 A)
 &rst
  ixpk= 2317, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 399, 400,
 &end
#
#   28 GLU  HN           25 PRO  HB+         5.50    (#   2318:20  Unique         3.11, 4.72 A)
 &rst
  ixpk= 2318, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#   27 LYS  HN           25 PRO  HB+         4.50    (#   2319:20  Unique         2.11, 3.62 A)
 &rst
  ixpk= 2319, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 399, 400,
 &end
#
#   81 PRO  HD-          80 MET  HG+         5.50    (#   2320:20  Unique         2.00, 3.81 A)
 &rst
  ixpk= 2320, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2=1234,1235,
 &end
#
#    4 TRP  HZ2          80 MET  HG+         5.50    (#   2321:20  Unique         3.69, 5.03 A)
 &rst
  ixpk= 2321, nxpk= 20, iat=  59,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#   27 LYS  HN           25 PRO  HB-         4.50    (#   2322:20  Unique         2.11, 3.62 A)
 &rst
  ixpk= 2322, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 399, 400,
 &end
#
#    9 VAL  HA           25 PRO  HB-         5.50    (#   2323:20  Unique         2.44, 2.90 A)
 &rst
  ixpk= 2323, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:2324     0 AMB  20-1:2324   4.50    (#   2324:20  Double Ambig)
 &rst
  ixpk= 2324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1227, 849, 850,  61,
 igr2=1234,1235, 399, 400,
 &end
#
#    4 TRP  HZ2          80 MET  HG-         5.50    (#   2325:20  Unique         3.69, 5.03 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=  59,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#   61 LEU  MDX          64 MET  HG+         5.50    (#   2326:20  Unique         3.03, 6.93 A)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1007,1008,
 &end
#
#   60 ILE  QG2          64 MET  HG-         5.50    (#   2327:20  Unique         2.52, 4.99 A)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 942, 943, 944,
 igr2=1007,1008,
 &end
#
#   61 LEU  HA           64 MET  HG-         4.50    (#   2328:20  Unique         2.00, 3.70 A)
 &rst
  ixpk= 2328, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1007,1008,
 &end
#
#    0 AMB  20-2:2329     0 AMB  20-1:2329   5.50    (#   2329:20  Double Ambig)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 173, 375,
 igr2= 164, 165, 164, 165,
 &end
#
#    9 VAL  HA           10 PRO  HB+         5.50    (#   2330:20  Unique         4.84, 5.22 A)
 &rst
  ixpk= 2330, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:2331     0 AMB  20-1:2331   5.50    (#   2331:20  Double Ambig)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 570, 173,
 igr2= 615, 616, 164, 165,
 &end
#
#   39 ASP  HN           38 PRO  HB+         5.50    (#   2332:20  Unique         3.42, 3.98 A)
 &rst
  ixpk= 2332, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
#   39 ASP  HN            0 AMB  20-1:2333   4.50    (#   2333:20  Single Ambig)
 &rst
  ixpk= 2333, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 615, 616, 596,
 &end
#
#   18 VAL  MGY          17 HIS  HB+         5.50    (#   2335:20  Unique         3.77, 6.66 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 277, 278,
 &end
#
#   18 VAL  MGY          17 HIS  HB-         5.50    (#   2336:20  Unique         3.77, 6.66 A)
 &rst
  ixpk= 2336, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 277, 278,
 &end
#
#   21 ALA  MB           17 HIS  HB+         4.50    (#   2337:20  Unique         3.05, 5.68 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 334, 335, 336,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:2338    17 HIS  HB-         4.50    (#   2338:20  Single Ambig)
 &rst
  ixpk= 2338, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 334, 335, 336, 265, 266,
 igr2= 277, 278,
 &end
#
#   13 TYR  HA           17 HIS  HB+         4.50    (#   2339:20  Unique         2.70, 4.12 A)
 &rst
  ixpk= 2339, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 277, 278,
 &end
#
#   13 TYR  HA           17 HIS  HB-         5.50    (#   2340:20  Unique         2.70, 4.12 A)
 &rst
  ixpk= 2340, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   17 HIS  HD2          17 HIS  HB+         4.50    (#   2342:20  Unique         2.70, 3.31 A)
 &rst
  ixpk= 2342, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 277, 278,
 &end
#
#   17 HIS  HD2          17 HIS  HB-         4.50    (#   2343:20  Unique         2.70, 3.31 A)
 &rst
  ixpk= 2343, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 277, 278,
 &end
#
#   17 HIS  HN           17 HIS  HB-         5.50    (#   2344:20  Unique         3.03, 3.57 A)
 &rst
  ixpk= 2344, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   17 HIS  HN           17 HIS  HB+         5.50    (#   2345:20  Unique         3.03, 3.57 A)
 &rst
  ixpk= 2345, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#    9 VAL  HN            8 ARG  HB-         4.50    (#   2348:20  Unique         2.43, 3.56 A)
 &rst
  ixpk= 2348, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 121, 122,
 &end
#
#   33 ILE  QD1          37 VAL  HB          3.50    (#   2349:20  Unique         2.85, 3.88 A)
 &rst
  ixpk= 2349, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 552, 553, 554,
 &end
#
#   16 GLU  HN           16 GLU  HB-         5.50    (#   2350:20  Unique         2.78, 3.40 A)
 &rst
  ixpk= 2350, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 262, 263,
 &end
#
#   29 VAL  HN           28 GLU  HB-         4.50    (#   2351:20  Unique         2.89, 3.38 A)
 &rst
  ixpk= 2351, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 451, 452,
 &end
#
#   41 ASN  HN           40 LYS  HB-         5.50    (#   2352:20  Unique         2.81, 4.00 A)
 &rst
  ixpk= 2352, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 638, 639,
 &end
#
#    4 TRP  HA           45 LYS  HB-         4.50    (#   2353:20  Unique         1.97, 2.78 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:2354     0 AMB  20-1:2354   5.50    (#   2354:20  Double Ambig)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 734,  29,
 igr2= 716, 717, 716, 717,
 &end
#
#    0 AMB  20-2:2355    45 LYS  HB-         5.50    (#   2355:20  Single Ambig)
 &rst
  ixpk= 2355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 734,  29,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:2356     0 AMB  20-1:2356   3.50    (#   2356:20  Double Ambig)
 &rst
  ixpk= 2356, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1262,1263,1149,1150,
 igr2= 262, 263, 262, 263,
 &end
#
#    8 ARG  HN            8 ARG  HB+         4.50    (#   2357:20  Unique         2.06, 2.79 A)
 &rst
  ixpk= 2357, nxpk= 20, iat= 117,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 121, 122,
 &end
#
#    8 ARG  HE            8 ARG  HB+         4.50    (#   2358:20  Unique         2.01, 3.01 A)
 &rst
  ixpk= 2358, nxpk= 20, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 121, 122,
 &end
#
#   55 GLY  HA+          58 LYS  HB+         5.50    (#   2359:20  Unique         2.57, 4.21 A)
 &rst
  ixpk= 2359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 867, 868,
 igr2= 903, 904,
 &end
#
#   27 LYS  HN           30 LYS  HB-         5.50    (#   2363:20  Unique         5.59, 6.50 A)
 &rst
  ixpk= 2363, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:2364     0 AMB  20-1:2364   5.50    (#   2364:20  Double Ambig)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 647, 648, 647, 648,
 igr2= 638, 639, 638, 639,
 &end
#
#   67 THR  HN           40 LYS  HB+         5.50    (#   2365:20  Unique         2.11, 4.27 A)
 &rst
  ixpk= 2365, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 638, 639,
 &end
#
#   41 ASN  HN           40 LYS  HB+         5.50    (#   2366:20  Unique         2.81, 4.00 A)
 &rst
  ixpk= 2366, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 638, 639,
 &end
#
#   59 GLU  HN           58 LYS  HB-         5.50    (#   2367:20  Unique         1.95, 3.38 A)
 &rst
  ixpk= 2367, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 903, 904,
 &end
#
#   71 ASN  HD2+         58 LYS  HB-         4.50    (#   2368:20  Unique         2.31, 3.96 A)
 &rst
  ixpk= 2368, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117,
 igr2= 903, 904,
 &end
#
#   75 LEU  MDX          16 GLU  HB+         4.50    (#   2369:20  Unique         2.09, 5.84 A)
 &rst
  ixpk= 2369, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2= 262, 263,
 &end
#
#   16 GLU  HN           16 GLU  HB+         4.50    (#   2370:20  Unique         2.78, 3.40 A)
 &rst
  ixpk= 2370, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 262, 263,
 &end
#
#   17 HIS  HN           16 GLU  HB+         5.50    (#   2371:20  Unique         2.44, 4.12 A)
 &rst
  ixpk= 2371, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 262, 263,
 &end
#
#   25 PRO  HD+          28 GLU  HB+         4.50    (#   2374:20  Unique         2.01, 4.03 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:2375     7 VAL  HB          4.50    (#   2375:20  Single Ambig)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 856, 402, 858, 859,
 &end
#
#    7 VAL  HN            7 VAL  HB          5.50    (#   2376:20  Unique         3.60, 3.61 A)
 &rst
  ixpk= 2376, nxpk= 20, iat= 101, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 GLU  HA            0 AMB  20-1:2381   4.50    (#   2381:20  Single Ambig)
 &rst
  ixpk= 2381, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 504, 505, 504, 505,
 &end
#
#   53 GLN  HN            0 AMB  20-1:2382   5.50    (#   2382:20  Single Ambig)
 &rst
  ixpk= 2382, nxpk= 20, iat= 837,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 817, 818, 817, 818,
 &end
#
#   52 ARG  HA            0 AMB  20-1:2383   2.80    (#   2383:20  Single Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:2384     0 AMB  20-1:2384   4.50    (#   2384:20  Double Ambig)
 &rst
  ixpk= 2384, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=  50,  51,  50,  51,
 &end
#
#    0 AMB  20-2:2385     4 TRP  HB-         4.50    (#   2385:20  Single Ambig)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:2386     0 AMB  20-1:2386   5.50    (#   2386:20  Double Ambig)
 &rst
  ixpk= 2386, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1= 716, 717, 719, 720,  83,  84,  85,
 igr2=  50,  51,  50,  51,  50,  51,
 &end
#
#    0 AMB  20-2:2387     4 TRP  HB-         5.50    (#   2387:20  Single Ambig)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 716, 717, 719, 720,  83,  84,  85,
 igr2=  50,  51,
 &end
#
#   21 ALA  MB            4 TRP  HB-         3.50    (#   2388:20  Unique         2.00, 3.76 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 334, 335, 336,
 igr2=  50,  51,
 &end
#
#    5 ILE  HA            4 TRP  HB+         5.50    (#   2389:20  Unique         4.15, 4.72 A)
 &rst
  ixpk= 2389, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:2390     4 TRP  HB-         5.50    (#   2390:20  Single Ambig)
 &rst
  ixpk= 2390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  72,  31,
 igr2=  50,  51,
 &end
#
#   47 TYR  HE            4 TRP  HB+         5.50    (#   2391:20  Unique         2.13, 5.62 A)
 &rst
  ixpk= 2391, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 760, 765,
 igr2=  50,  51,
 &end
#
#   47 TYR  HE            4 TRP  HB-         5.50    (#   2392:20  Unique         2.13, 5.62 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 760, 765,
 igr2=  50,  51,
 &end
#
#    4 TRP  HD1           4 TRP  HB-         4.50    (#   2394:20  Unique         2.56, 3.19 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  54,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#    5 ILE  HN            4 TRP  HB+         5.50    (#   2395:20  Unique         3.01, 3.88 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    5 ILE  HN            4 TRP  HB-         5.50    (#   2396:20  Unique         3.01, 3.88 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:2397     0 AMB  20-1:2397   5.50    (#   2397:20  Double Ambig)
 &rst
  ixpk= 2397, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 340, 323,
 igr2=  50,  51,  50,  51,
 &end
#
#    0 AMB  20-2:2398     4 TRP  HB-         5.50    (#   2398:20  Single Ambig)
 &rst
  ixpk= 2398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 340, 323,
 igr2=  50,  51,
 &end
#
#   58 LYS  HA           58 LYS  HD+         4.50    (#   2400:20  Unique         3.01, 3.80 A)
 &rst
  ixpk= 2400, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:2401     0 AMB  20-1:2401   3.50    (#   2401:20  Double Ambig)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 912, 913, 912, 913,
 igr2= 909, 910, 909, 910,
 &end
#
#    0 AMB  20-2:2402    58 LYS  HD-         4.50    (#   2402:20  Single Ambig)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 909, 910,
 &end
#
#   71 ASN  HB-          58 LYS  HD-         4.50    (#   2403:20  Unique         2.00, 4.30 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2= 909, 910,
 &end
#
#   58 LYS  HA           58 LYS  HD-         5.50    (#   2404:20  Unique         3.01, 3.80 A)
 &rst
  ixpk= 2404, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#   70 GLU  HA           58 LYS  HD-         5.50    (#   2405:20  Unique         2.36, 3.51 A)
 &rst
  ixpk= 2405, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#   70 GLU  HA           58 LYS  HD+         5.50    (#   2406:20  Unique         2.36, 3.51 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#   48 CYS  HB-          53 GLN  HB-         4.50    (#   2408:20  Unique         3.27, 4.52 A)
 &rst
  ixpk= 2408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 775, 776,
 igr2= 841, 842,
 &end
#
#   48 CYS  HB+          53 GLN  HB-         5.50    (#   2409:20  Unique         3.27, 4.52 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 775, 776,
 igr2= 841, 842,
 &end
#
#    0 AMB  20-2:2412     0 AMB  20-1:2412   4.50    (#   2412:20  Double Ambig)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 478, 447,
 igr2= 488, 489, 488, 489, 435, 436, 435, 436,
 &end
#
#    9 VAL  HN            0 AMB  20-1:2413   4.50    (#   2413:20  Single Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 145, 841, 842,
 &end
#
#   11 GLU  HN            9 VAL  HB          4.50    (#   2414:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2414, nxpk= 20, iat= 171, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 CYS  HB+          53 GLN  HB+         4.50    (#   2415:20  Unique         3.27, 4.52 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 775, 776,
 igr2= 841, 842,
 &end
#
#   53 GLN  HN           53 GLN  HB+         5.50    (#   2418:20  Unique         2.11, 2.75 A)
 &rst
  ixpk= 2418, nxpk= 20, iat= 837,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#    0 AMB  20-2:2419     0 AMB  20-1:2419   2.80    (#   2419:20  Double Ambig)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1= 432, 433, 432, 433, 432, 433,1303,1304,1303,1304,
      1303,1304,
 igr2= 435, 436, 435, 436, 435, 436,1306,1307,1306,1307,
      1306,1307,
 &end
#
#   84 LYS  HN            0 AMB  20-1:2420   5.50    (#   2420:20  Single Ambig)
 &rst
  ixpk= 2420, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1306,1307,1306,1307,
 &end
#
#   18 VAL  MGY          82 LYS  HD+         5.50    (#   2421:20  Unique         3.30, 6.59 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1268,1269,
 &end
#
#   18 VAL  MGY          82 LYS  HD-         5.50    (#   2422:20  Unique         3.30, 6.59 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1268,1269,
 &end
#
#   75 LEU  MDY          82 LYS  HD-         4.50    (#   2423:20  Unique         2.00, 4.38 A)
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2=1268,1269,
 &end
#
#   75 LEU  MDY          82 LYS  HD+         4.50    (#   2424:20  Unique         2.00, 4.38 A)
 &rst
  ixpk= 2424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1154,1155,1156,1158,1159,1160,
 igr2=1268,1269,
 &end
#
#   18 VAL  HA           82 LYS  HD+         5.50    (#   2425:20  Unique         2.49, 5.22 A)
 &rst
  ixpk= 2425, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1268,1269,
 &end
#
#   18 VAL  HA           82 LYS  HD-         5.50    (#   2426:20  Unique         2.49, 5.22 A)
 &rst
  ixpk= 2426, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1268,1269,
 &end
#
#   82 LYS  HN           82 LYS  HD-         5.50    (#   2427:20  Unique         2.88, 4.50 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1268,1269,
 &end
#
#   82 LYS  HN           82 LYS  HD+         5.50    (#   2428:20  Unique         2.88, 4.50 A)
 &rst
  ixpk= 2428, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1268,1269,
 &end
#
#   65 GLY  HA+          40 LYS  HD-         4.50    (#   2430:20  Unique         2.78, 4.55 A)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1019,1020,
 igr2= 644, 645,
 &end
#
#   65 GLY  HA+          40 LYS  HD+         5.50    (#   2431:20  Unique         2.78, 4.55 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1019,1020,
 igr2= 644, 645,
 &end
#
#   66 TYR  HA           40 LYS  HD+         5.50    (#   2433:20  Unique         2.24, 4.02 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 644, 645,
 &end
#
#   66 TYR  HA           40 LYS  HD-         5.50    (#   2435:20  Unique         2.24, 4.02 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 644, 645,
 &end
#
#    0 AMB  20-2:2436     0 AMB  20-1:2436   4.50    (#   2436:20  Double Ambig)
 &rst
  ixpk= 2436, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 634,1024,
 igr2= 644, 645, 644, 645,
 &end
#
#    0 AMB  20-2:2437    40 LYS  HD-         4.50    (#   2437:20  Single Ambig)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 634,1024,
 igr2= 644, 645,
 &end
#
#   43 THR  MG2          68 HIS  HB-         4.50    (#   2438:20  Unique         3.59, 5.47 A)
 &rst
  ixpk= 2438, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690,
 igr2=1063,1064,
 &end
#
#   68 HIS  HA           68 HIS  HB-         3.50    (#   2439:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=1061,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1063,1064,
 &end
#
#   69 VAL  HN           68 HIS  HB-         5.50    (#   2440:20  Unique         3.69, 4.36 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1063,1064,
 &end
#
#   69 VAL  HN           68 HIS  HB+         5.50    (#   2441:20  Unique         3.69, 4.36 A)
 &rst
  ixpk= 2441, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1063,1064,
 &end
#
#   44 VAL  HN           68 HIS  HB+         5.50    (#   2442:20  Unique         3.38, 4.67 A)
 &rst
  ixpk= 2442, nxpk= 20, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1063,1064,
 &end
#
#   44 VAL  HN           68 HIS  HB-         4.50    (#   2443:20  Unique         3.38, 4.67 A)
 &rst
  ixpk= 2443, nxpk= 20, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1063,1064,
 &end
#
#   60 ILE  QG2           0 AMB  20-1:2445   5.50    (#   2445:20  Single Ambig)
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 942, 943, 944,
 igr2= 989, 990, 989, 990,
 &end
#
#   15 GLN  HN            0 AMB  20-1:2446   3.50    (#   2446:20  Single Ambig)
 &rst
  ixpk= 2446, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 245, 246, 245, 246,
 &end
#
#   16 GLU  HN            0 AMB  20-1:2447   3.50    (#   2447:20  Single Ambig)
 &rst
  ixpk= 2447, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 245, 246, 245, 246,
 &end
#
#   62 SER  HN            0 AMB  20-1:2448   5.50    (#   2448:20  Single Ambig)
 &rst
  ixpk= 2448, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr2= 989, 990, 989, 990, 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:2449     0 AMB  20-1:2449   5.50    (#   2449:20  Double Ambig)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2= 310, 311, 310, 311,
 &end
#
#   83 VAL  MGX          19 GLN  HB+         5.50    (#   2450:20  Unique         2.06, 5.55 A)
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 310, 311,
 &end
#
#   18 VAL  HA           19 GLN  HB+         5.50    (#   2451:20  Unique         4.19, 4.66 A)
 &rst
  ixpk= 2451, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:2452     0 AMB  20-1:2452   5.50    (#   2452:20  Double Ambig)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 955, 889, 330,
 igr2= 946, 947, 310, 311,
 &end
#
#   83 VAL  MGY          19 GLN  HB-         4.50    (#   2453:20  Unique         2.06, 5.55 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:2454    19 GLN  HB-         5.50    (#   2454:20  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1245,1246, 292,
 igr2= 310, 311,
 &end
#
#   45 LYS  HA           45 LYS  HD+         5.50    (#   2456:20  Unique         2.85, 4.14 A)
 &rst
  ixpk= 2456, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#   45 LYS  HA           45 LYS  HD-         5.50    (#   2458:20  Unique         2.85, 4.14 A)
 &rst
  ixpk= 2458, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#    4 TRP  HZ2          45 LYS  HD+         5.50    (#   2459:20  Unique         2.77, 3.97 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  59,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#    9 VAL  MGX           0 AMB  20-1:2460   4.50    (#   2460:20  Single Ambig)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 175, 176, 175, 176,
 &end
#
#   12 GLN  HN            0 AMB  20-1:2461   4.50    (#   2461:20  Single Ambig)
 &rst
  ixpk= 2461, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 175, 176, 175, 176,
 &end
#
#   12 GLN  HN            0 AMB  20-1:2462   4.50    (#   2462:20  Single Ambig)
 &rst
  ixpk= 2462, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 175, 176, 175, 176,
 &end
#
#   11 GLU  HN            0 AMB  20-1:2463   3.50    (#   2463:20  Single Ambig)
 &rst
  ixpk= 2463, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 175, 176, 175, 176,
 &end
#
#    8 ARG  HG-          48 CYS  HB-         4.50    (#   2464:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125,
 igr2= 775, 776,
 &end
#
#    8 ARG  HG+          48 CYS  HB-         4.50    (#   2465:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 2465, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125,
 igr2= 775, 776,
 &end
#
#    8 ARG  HG+          48 CYS  HB+         3.50    (#   2466:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 124, 125,
 igr2= 775, 776,
 &end
#
#   54 SER  HB+          48 CYS  HB-         5.50    (#   2467:20  Unique         2.01, 4.59 A)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 858, 859,
 igr2= 775, 776,
 &end
#
#   48 CYS  HN           48 CYS  HB-         5.50    (#   2470:20  Unique         2.51, 3.54 A)
 &rst
  ixpk= 2470, nxpk= 20, iat= 771,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 775, 776,
 &end
#
#    0 AMB  20-2:2471    48 CYS  HB-         5.50    (#   2471:20  Single Ambig)
 &rst
  ixpk= 2471, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 101, 865,
 igr2= 775, 776,
 &end
#
#    0 AMB  20-2:2472    48 CYS  HB-         4.50    (#   2472:20  Single Ambig)
 &rst
  ixpk= 2472, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 858, 859, 127, 128,
 igr2= 775, 776,
 &end
#
#    9 VAL  HA            0 AMB  20-1:2473   5.50    (#   2473:20  Single Ambig)
 &rst
  ixpk= 2473, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 190, 191, 190, 191,
 &end
#
#    0 AMB  20-2:2475     0 AMB  20-1:2475   2.80    (#   2475:20  Double Ambig)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1= 193, 194, 193, 194, 231, 232, 231, 232, 231, 232,
       879, 880,
 igr2= 190, 191, 190, 191, 228, 229, 228, 229, 228, 229,
       876, 877,
 &end
#
#    0 AMB  20-2:2476    61 LEU  HG          3.50    (#   2476:20  Single Ambig)
 &rst
  ixpk= 2476, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 942, 943, 944, 415, 416, 417, 419, 420, 421, 949,
       950, 951,1082,1083,1084,1086,1087,1088,1082,1083,
      1084,1086,1087,1088, 740, 741, 742, 744, 745, 746,
      
 &end
#
#   11 GLU  HN           10 PRO  HG+         5.50    (#   2477:20  Unique         2.09, 3.30 A)
 &rst
  ixpk= 2477, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 161, 162,
 &end
#
#    0 AMB  20-2:2479     0 AMB  20-1:2479   5.50    (#   2479:20  Double Ambig)
 &rst
  ixpk= 2479, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1229, 361,
 igr2=1248,1249, 396, 397,
 &end
#
#    0 AMB  20-2:2480     0 AMB  20-1:2480   4.50    (#   2480:20  Double Ambig)
 &rst
  ixpk= 2480, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 117, 849, 850,
 igr2= 124, 125, 124, 125,
 &end
#
#    0 AMB  20-2:2481     0 AMB  20-1:2481   5.50    (#   2481:20  Double Ambig)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 368, 369, 758, 767,
 igr2= 396, 397, 124, 125,
 &end
#
#    8 ARG  HE            8 ARG  HG+         4.50    (#   2482:20  Unique         2.22, 3.34 A)
 &rst
  ixpk= 2482, nxpk= 20, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 124, 125,
 &end
#
#    0 AMB  20-2:2483    25 PRO  HG-         4.50    (#   2483:20  Single Ambig)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 375, 427,
 igr2= 396, 397,
 &end
#
#   57 ALA  HA           61 LEU  HG          5.50    (#   2486:20  Unique         3.09, 3.85 A)
 &rst
  ixpk= 2486, nxpk= 20, iat= 891, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 LYS  HN           26 LEU  HG          5.50    (#   2487:20  Unique         3.61, 4.51 A)
 &rst
  ixpk= 2487, nxpk= 20, iat= 425, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 ARG  HN           52 ARG  HG-         5.50    (#   2488:20  Unique         1.95, 3.65 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 820, 821,
 &end
#
#    5 ILE  HA           22 ILE  HG1+        5.50    (#   2491:20  Unique         2.90, 4.17 A)
 &rst
  ixpk= 2491, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#   22 ILE  HA           22 ILE  HG1-        5.50    (#   2492:20  Unique         2.63, 3.42 A)
 &rst
  ixpk= 2492, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#   22 ILE  HA           22 ILE  HG1+        4.50    (#   2493:20  Unique         2.63, 3.42 A)
 &rst
  ixpk= 2493, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 350, 351,
 &end
#
#   21 ALA  HA           22 ILE  HG1+        5.50    (#   2494:20  Unique         3.21, 4.15 A)
 &rst
  ixpk= 2494, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#   75 LEU  HN           75 LEU  HG          5.50    (#   2497:20  Unique         2.11, 3.59 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=1145,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 LEU  HA           75 LEU  HG          5.50    (#   2498:20  Unique         2.28, 2.91 A)
 &rst
  ixpk= 2498, nxpk= 20, iat=1147,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   82 LYS  HE-          75 LEU  HG          5.50    (#   2499:20  Unique         2.02, 4.42 A)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   37 VAL  MGX          33 ILE  HG1-        5.50    (#   2500:20  Unique         2.84, 4.96 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 549, 550,
 &end
#
#   66 TYR  HE           33 ILE  HG1-        5.50    (#   2501:20  Unique         2.09, 3.83 A)
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1034,1039,
 igr2= 549, 550,
 &end
#
#   37 VAL  HN           33 ILE  HG1-        4.50    (#   2502:20  Unique         2.43, 4.01 A)
 &rst
  ixpk= 2502, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:2503     0 AMB  20-1:2503   2.80    (#   2503:20  Double Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=  76,  77,  78, 386, 387, 388,
 igr2=  80,  81,  80,  81,  80,  81,
 &end
#
#   22 ILE  HG1-          0 AMB  20-1:2504   3.50    (#   2504:20  Single Ambig)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 350, 351,
 igr2=  80,  81,  80,  81,
 &end
#
#    3 HIS  HB-           0 AMB  20-1:2505   5.50    (#   2505:20  Single Ambig)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  33,  34,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:2507     0 AMB  20-1:2507   5.50    (#   2507:20  Double Ambig)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=  33,  34,  33,  34,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:2508     0 AMB  20-1:2508   5.50    (#   2508:20  Double Ambig)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=  33,  34,  33,  34,
 igr2=  80,  81,  80,  81,
 &end
#
#    4 TRP  HA            0 AMB  20-1:2509   5.50    (#   2509:20  Single Ambig)
 &rst
  ixpk= 2509, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  80,  81,  80,  81,
 &end
#
#   37 VAL  HN           33 ILE  HG1+        5.50    (#   2510:20  Unique         2.43, 4.01 A)
 &rst
  ixpk= 2510, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 549, 550,
 &end
#
#   33 ILE  HA           33 ILE  HG1+        4.50    (#   2511:20  Unique         2.41, 3.11 A)
 &rst
  ixpk= 2511, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 549, 550,
 &end
#
#   18 VAL  MGY          75 LEU  MDX         5.50    (#   2512:20  Unique         2.11, 6.27 A)
 &rst
  ixpk= 2512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   82 LYS  HE-          75 LEU  MDX         5.50    (#   2513:20  Unique         2.00, 4.62 A)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1271,1272,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   82 LYS  HE+          75 LEU  MDX         5.50    (#   2514:20  Unique         2.00, 4.62 A)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1271,1272,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:2515    75 LEU  MDX         5.50    (#   2515:20  Single Ambig)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 786, 787, 127, 128, 277, 278,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HA           75 LEU  MDX         5.50    (#   2516:20  Unique         2.00, 3.88 A)
 &rst
  ixpk= 2516, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   17 HIS  HA           75 LEU  MDX         4.50    (#   2517:20  Unique         2.38, 4.24 A)
 &rst
  ixpk= 2517, nxpk= 20, iat= 275,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   47 TYR  HE           75 LEU  MDX         5.50    (#   2518:20  Unique         2.00, 5.46 A)
 &rst
  ixpk= 2518, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 760, 765,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   16 GLU  HN           75 LEU  MDX         5.50    (#   2519:20  Unique         4.99, 7.18 A)
 &rst
  ixpk= 2519, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HN           75 LEU  MDX         5.50    (#   2520:20  Unique         2.62, 4.86 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   24 ILE  HN           24 ILE  HG1-        5.50    (#   2522:20  Unique         2.38, 2.96 A)
 &rst
  ixpk= 2522, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 383, 384,
 &end
#
#   56 GLN  HN           26 LEU  MDX         5.50    (#   2523:20  Unique         4.00, 6.37 A)
 &rst
  ixpk= 2523, nxpk= 20, iat= 872,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   53 GLN  HE2+         26 LEU  MDX         5.50    (#   2524:20  Unique         2.93, 6.42 A)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 849, 850,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   26 LEU  HN           26 LEU  MDX         5.50    (#   2525:20  Unique         3.42, 5.26 A)
 &rst
  ixpk= 2525, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   57 ALA  HN           26 LEU  MDX         5.50    (#   2526:20  Unique         2.32, 4.71 A)
 &rst
  ixpk= 2526, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   27 LYS  HN           26 LEU  MDX         5.50    (#   2527:20  Unique         2.92, 5.52 A)
 &rst
  ixpk= 2527, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   24 ILE  HN           24 ILE  HG1+        5.50    (#   2528:20  Unique         2.38, 2.96 A)
 &rst
  ixpk= 2528, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 383, 384,
 &end
#
#    8 ARG  HA           26 LEU  MDX         5.50    (#   2529:20  Unique         5.15, 7.31 A)
 &rst
  ixpk= 2529, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:2530    26 LEU  MDX         5.50    (#   2530:20  Single Ambig)
 &rst
  ixpk= 2530, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 408, 891,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   56 GLN  HG+          26 LEU  MDX         5.50    (#   2531:20  Unique         3.62, 6.32 A)
 &rst
  ixpk= 2531, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 879, 880,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   57 ALA  MB           26 LEU  MDX         4.50    (#   2532:20  Unique         2.00, 4.23 A)
 &rst
  ixpk= 2532, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 893, 894, 895,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   64 MET  ME           30 LYS  HG+         4.50    (#   2533:20  Unique         2.07, 4.90 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1011,1012,1013,
 igr2= 485, 486,
 &end
#
#   30 LYS  HN           30 LYS  HG-         4.50    (#   2535:20  Unique         3.40, 4.12 A)
 &rst
  ixpk= 2535, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 485, 486,
 &end
#
#   66 TYR  HA           40 LYS  HG+         5.50    (#   2536:20  Unique         2.05, 4.04 A)
 &rst
  ixpk= 2536, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 641, 642,
 &end
#
#   45 LYS  HN           45 LYS  HG+         4.50    (#   2537:20  Unique         2.46, 3.19 A)
 &rst
  ixpk= 2537, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 719, 720,
 &end
#
#    0 AMB  20-2:2538     0 AMB  20-1:2538   5.50    (#   2538:20  Double Ambig)
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 734,  29,
 igr2= 719, 720, 719, 720,
 &end
#
#    0 AMB  20-2:2539    45 LYS  HG-         5.50    (#   2539:20  Single Ambig)
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 734,  29,
 igr2= 719, 720,
 &end
#
#   66 TYR  HA           40 LYS  HG-         5.50    (#   2540:20  Unique         2.05, 4.04 A)
 &rst
  ixpk= 2540, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 641, 642,
 &end
#
#   40 LYS  HN           40 LYS  HG-         4.50    (#   2541:20  Unique         2.09, 3.32 A)
 &rst
  ixpk= 2541, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#    0 AMB  20-2:2543     0 AMB  20-1:2543   5.50    (#   2543:20  Double Ambig)
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
 igr1=1320,1321,1320,1321, 408,
 igr2=1303,1304,1303,1304, 432, 433, 432, 433,
 &end
#
#   82 LYS  HE-          82 LYS  HG+         4.50    (#   2544:20  Unique         2.05, 2.96 A)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1271,1272,
 igr2=1265,1266,
 &end
#
#   18 VAL  HA           82 LYS  HG+         5.50    (#   2545:20  Unique         2.57, 3.59 A)
 &rst
  ixpk= 2545, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#   82 LYS  HN           82 LYS  HG+         5.50    (#   2546:20  Unique         2.14, 3.71 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:2547     0 AMB  20-1:2547   5.50    (#   2547:20  Double Ambig)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 974, 696,
 igr2= 964, 965, 966, 968, 969, 970, 719, 720,
 &end
#
#   64 MET  HB-          61 LEU  MDX         5.50    (#   2548:20  Unique         3.96, 6.52 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1004,1005,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:2550    61 LEU  MDX         4.50    (#   2550:20  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 901, 891,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   66 TYR  HE           61 LEU  MDX         5.50    (#   2551:20  Unique         2.00, 6.33 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1034,1039,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   66 TYR  HD           61 LEU  MDX         5.50    (#   2552:20  Unique         2.61, 6.43 A)
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1032,1041,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   34 ALA  HN           61 LEU  MDY         5.50    (#   2553:20  Unique         5.37, 7.35 A)
 &rst
  ixpk= 2553, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   34 ALA  HN           61 LEU  MDX         5.50    (#   2554:20  Unique         5.37, 7.35 A)
 &rst
  ixpk= 2554, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   28 GLU  HN            0 AMB  20-1:2555   4.50    (#   2555:20  Single Ambig)
 &rst
  ixpk= 2555, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 432, 433, 432, 433,
 &end
#
#   85 GLY  HN            0 AMB  20-1:2556   5.50    (#   2556:20  Single Ambig)
 &rst
  ixpk= 2556, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:2557     0 AMB  20-1:2557   5.50    (#   2557:20  Double Ambig)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1282, 584,
 igr2=1303,1304,1303,1304, 598, 599, 600, 602, 603, 604,
      
 &end
#
#   32 ARG  HN           29 VAL  MGY         5.50    (#   2558:20  Unique         4.18, 5.77 A)
 &rst
  ixpk= 2558, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    7 VAL  HA           29 VAL  MGY         5.50    (#   2559:20  Unique         2.57, 4.71 A)
 &rst
  ixpk= 2559, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   16 GLU  HB+          75 LEU  MDY         5.50    (#   2560:20  Unique         2.09, 5.84 A)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 262, 263,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:2561    75 LEU  MDY         5.50    (#   2561:20  Single Ambig)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 127, 128, 292,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   78 ILE  HN           75 LEU  MDY         5.50    (#   2562:20  Unique         4.29, 7.04 A)
 &rst
  ixpk= 2562, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   18 VAL  HN           75 LEU  MDY         4.50    (#   2563:20  Unique         2.72, 5.11 A)
 &rst
  ixpk= 2563, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HN           75 LEU  MDY         5.50    (#   2564:20  Unique         2.62, 4.86 A)
 &rst
  ixpk= 2564, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   64 MET  ME           61 LEU  MDY         5.50    (#   2565:20  Unique         2.00, 5.31 A)
 &rst
  ixpk= 2565, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1011,1012,1013,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   45 LYS  HE-          45 LYS  HG-         5.50    (#   2566:20  Unique         2.01, 3.05 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 725, 726,
 igr2= 719, 720,
 &end
#
#   66 TYR  HB-          61 LEU  MDY         4.50    (#   2567:20  Unique         4.25, 6.58 A)
 &rst
  ixpk= 2567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1028,1029,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   76 LYS  HA            0 AMB  20-1:2568   4.50    (#   2568:20  Single Ambig)
 &rst
  ixpk= 2568, nxpk= 20, iat=1166,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1171,1172,1171,1172,
 &end
#
#    0 AMB  20-2:2569    26 LEU  MDY         4.50    (#   2569:20  Single Ambig)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 462, 921,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   53 GLN  HE2+         26 LEU  MDY         5.50    (#   2570:20  Unique         2.93, 6.42 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 849, 850,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   26 LEU  HN           26 LEU  MDY         5.50    (#   2571:20  Unique         3.42, 5.26 A)
 &rst
  ixpk= 2571, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   27 LYS  HN           26 LEU  MDY         5.50    (#   2572:20  Unique         2.92, 5.52 A)
 &rst
  ixpk= 2572, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   54 SER  HN           26 LEU  MDY         5.50    (#   2573:20  Unique         3.65, 7.13 A)
 &rst
  ixpk= 2573, nxpk= 20, iat= 854,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   54 SER  HB-          46 VAL  MGY         5.50    (#   2574:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 858, 859,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2575    69 VAL  MGY         5.50    (#   2575:20  Single Ambig)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 912, 913, 912, 913,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   71 ASN  HA           46 VAL  MGY         5.50    (#   2576:20  Unique         2.09, 4.38 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2577     0 AMB  20-1:2577   5.50    (#   2577:20  Double Ambig)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 849, 850,1045,
 igr2= 415, 416, 417, 419, 420, 421,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   72 ALA  HN           46 VAL  MGY         4.50    (#   2578:20  Unique         2.04, 4.87 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2579    18 VAL  MGY         5.50    (#   2579:20  Single Ambig)
 &rst
  ixpk= 2579, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1234,1235,1149,1150, 313, 314,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   82 LYS  HE+          18 VAL  MGY         4.50    (#   2580:20  Unique         2.69, 5.77 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1271,1272,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2581    18 VAL  MGY         5.50    (#   2581:20  Single Ambig)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=  50,  51, 277, 278,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2582    18 VAL  MGY         5.50    (#   2582:20  Single Ambig)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 325, 326,1245,1246,1147,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2584    18 VAL  MGY         5.50    (#   2584:20  Single Ambig)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  61,1227,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    4 TRP  HE3          18 VAL  MGY         4.50    (#   2585:20  Unique         2.92, 5.21 A)
 &rst
  ixpk= 2585, nxpk= 20, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   19 GLN  HN           18 VAL  MGY         4.50    (#   2586:20  Unique         1.95, 4.01 A)
 &rst
  ixpk= 2586, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   44 VAL  HA           46 VAL  MGY         5.50    (#   2588:20  Unique         4.91, 6.67 A)
 &rst
  ixpk= 2588, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   57 ALA  HN           46 VAL  MGY         4.50    (#   2591:20  Unique         3.97, 6.05 A)
 &rst
  ixpk= 2591, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    3 HIS  HB+          44 VAL  MGX         5.50    (#   2592:20  Unique         2.69, 5.97 A)
 &rst
  ixpk= 2592, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  33,  34,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:2593    44 VAL  MGX         5.50    (#   2593:20  Single Ambig)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 714,  31,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   69 VAL  HA           44 VAL  MGX         5.50    (#   2594:20  Unique         2.07, 5.30 A)
 &rst
  ixpk= 2594, nxpk= 20, iat=1078,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:2595    44 VAL  MGX         5.50    (#   2595:20  Single Ambig)
 &rst
  ixpk= 2595, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 734,  29,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   70 GLU  HN           44 VAL  MGX         5.50    (#   2596:20  Unique         2.55, 5.95 A)
 &rst
  ixpk= 2596, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    5 ILE  HN           44 VAL  MGX         5.50    (#   2597:20  Unique         3.59, 6.44 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   41 ASN  HA           67 THR  MG2         5.50    (#   2599:20  Unique         4.26, 6.20 A)
 &rst
  ixpk= 2599, nxpk= 20, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1051,1052,1053,
 &end
#
#   36 ALA  HN           35 THR  MG2         4.50    (#   2600:20  Unique         4.12, 4.92 A)
 &rst
  ixpk= 2600, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 574, 575, 576,
 &end
#
#   11 GLU  HN            9 VAL  MGY         5.50    (#   2601:20  Unique         2.14, 4.47 A)
 &rst
  ixpk= 2601, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   68 HIS  HN           67 THR  MG2         5.50    (#   2602:20  Unique         4.39, 5.21 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1051,1052,1053,
 &end
#
#    3 HIS  HD2          44 VAL  MGY         5.50    (#   2604:20  Unique         3.01, 5.34 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  42,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   18 VAL  HA           21 ALA  MB          5.50    (#   2605:20  Unique         4.53, 6.11 A)
 &rst
  ixpk= 2605, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 334, 335, 336,
 &end
#
#    0 AMB  20-2:2606    21 ALA  MB          5.50    (#   2606:20  Single Ambig)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 325, 326,  91,
 igr2= 334, 335, 336,
 &end
#
#   66 TYR  HD            0 AMB  20-1:2609   4.50    (#   2609:20  Single Ambig)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1032,1041,
 igr2= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   32 ARG  HN           29 VAL  MGX         5.50    (#   2610:20  Unique         4.18, 5.77 A)
 &rst
  ixpk= 2610, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:2611    29 VAL  MGX         5.50    (#   2611:20  Single Ambig)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 375, 427, 957,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    7 VAL  HB           29 VAL  MGX         4.50    (#   2612:20  Unique         2.70, 5.03 A)
 &rst
  ixpk= 2612, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    7 VAL  HB           29 VAL  MGX         4.50    (#   2613:20  Unique         2.70, 5.03 A)
 &rst
  ixpk= 2613, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   42 ASP  HB-          43 THR  MG2         5.50    (#   2614:20  Unique         6.22, 7.20 A)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 674, 675,
 igr2= 688, 689, 690,
 &end
#
#   68 HIS  HB-          43 THR  MG2         4.50    (#   2615:20  Unique         3.59, 5.47 A)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1063,1064,
 igr2= 688, 689, 690,
 &end
#
#   44 VAL  HA           43 THR  MG2         5.50    (#   2616:20  Unique         4.11, 4.96 A)
 &rst
  ixpk= 2616, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:2617    43 THR  MG2         4.50    (#   2617:20  Single Ambig)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  29,  14,
 igr2= 688, 689, 690,
 &end
#
#   45 LYS  HN           43 THR  MG2         5.50    (#   2618:20  Unique         3.72, 4.78 A)
 &rst
  ixpk= 2618, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 688, 689, 690,
 &end
#
#   70 GLU  HN           43 THR  MG2         5.50    (#   2619:20  Unique         2.20, 4.11 A)
 &rst
  ixpk= 2619, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 688, 689, 690,
 &end
#
#   51 GLY  HN           50 ALA  MB          5.50    (#   2620:20  Unique         1.95, 2.98 A)
 &rst
  ixpk= 2620, nxpk= 20, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 800, 801, 802,
 &end
#
#   74 GLY  HA-          50 ALA  MB          5.50    (#   2621:20  Unique         4.48, 6.10 A)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1140,1141,
 igr2= 800, 801, 802,
 &end
#
#    0 AMB  20-2:2622    50 ALA  MB          5.50    (#   2622:20  Single Ambig)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 823, 824, 823, 824, 775, 776,
 igr2= 800, 801, 802,
 &end
#
#   49 ASN  HB+          50 ALA  MB          5.50    (#   2623:20  Unique         3.15, 5.11 A)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 786, 787,
 igr2= 800, 801, 802,
 &end
#
#   49 ASN  HB-          50 ALA  MB          4.50    (#   2624:20  Unique         3.15, 5.11 A)
 &rst
  ixpk= 2624, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 786, 787,
 igr2= 800, 801, 802,
 &end
#
#    0 AMB  20-2:2628     7 VAL  MGY         5.50    (#   2628:20  Single Ambig)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 408, 891,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  HN            7 VAL  MGY         4.50    (#   2629:20  Unique         1.96, 3.03 A)
 &rst
  ixpk= 2629, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2630     7 VAL  MGY         3.50    (#   2630:20  Single Ambig)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 738, 410, 411,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2631     7 VAL  MGY         4.50    (#   2631:20  Single Ambig)
 &rst
  ixpk= 2631, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 408, 891,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2632     7 VAL  MGY         5.50    (#   2632:20  Single Ambig)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 462, 872, 373,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   26 LEU  HN            7 VAL  MGY         5.50    (#   2633:20  Unique         3.50, 5.28 A)
 &rst
  ixpk= 2633, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2634     7 VAL  MGY         5.50    (#   2634:20  Single Ambig)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 750, 889,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   19 GLN  HA           83 VAL  MGY         4.50    (#   2635:20  Unique         2.12, 4.62 A)
 &rst
  ixpk= 2635, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   84 LYS  HA           83 VAL  MGY         5.50    (#   2637:20  Unique         3.62, 5.91 A)
 &rst
  ixpk= 2637, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:2638    36 ALA  MB          3.50    (#   2638:20  Single Ambig)
 &rst
  ixpk= 2638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1=  83,  84,  85, 386, 387, 388, 379, 380, 381,
 igr2= 586, 587, 588,
 &end
#
#    0 AMB  20-2:2639    36 ALA  MB          4.50    (#   2639:20  Single Ambig)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 594, 570,
 igr2= 586, 587, 588,
 &end
#
#   71 ASN  HB+          46 VAL  MGX         5.50    (#   2640:20  Unique         4.21, 6.78 A)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1111,1112,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2641    46 VAL  MGX         4.50    (#   2641:20  Single Ambig)
 &rst
  ixpk= 2641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 901, 891,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   70 GLU  HN           46 VAL  MGX         5.50    (#   2642:20  Unique         3.66, 5.64 A)
 &rst
  ixpk= 2642, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   68 HIS  HE1           1 ALA  MB          5.50    (#   2643:20  Unique         5.14, 7.19 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=1069,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=   8,   9,  10,
 &end
#
#   41 ASN  HD2+          1 ALA  MB          5.50    (#   2644:20  Unique         3.25, 5.54 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 665, 666,
 igr2=   8,   9,  10,
 &end
#
#    2 GLU  HA            1 ALA  MB          5.50    (#   2645:20  Unique         4.47, 5.42 A)
 &rst
  ixpk= 2645, nxpk= 20, iat=  16,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:2646     1 ALA  MB          5.50    (#   2646:20  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 674, 675,1063,1064,
 igr2=   8,   9,  10,
 &end
#
#   41 ASN  HB-           1 ALA  MB          4.50    (#   2647:20  Unique         4.81, 7.29 A)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 660, 661,
 igr2=   8,   9,  10,
 &end
#
#   78 ILE  QD1          72 ALA  MB          3.50    (#   2648:20  Unique         2.00, 4.81 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1211,1212,1213,
 igr2=1125,1126,1127,
 &end
#
#   47 TYR  HA           72 ALA  MB          5.50    (#   2649:20  Unique         2.07, 3.68 A)
 &rst
  ixpk= 2649, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1125,1126,1127,
 &end
#
#    4 TRP  HE3          72 ALA  MB          5.50    (#   2650:20  Unique         3.69, 4.80 A)
 &rst
  ixpk= 2650, nxpk= 20, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1125,1126,1127,
 &end
#
#   73 GLY  HN           72 ALA  MB          4.50    (#   2651:20  Unique         1.97, 3.34 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1125,1126,1127,
 &end
#
#   84 LYS  HA           83 VAL  MGX         5.50    (#   2653:20  Unique         3.62, 5.91 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   82 LYS  HN           83 VAL  MGX         5.50    (#   2654:20  Unique         4.19, 6.73 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HN           83 VAL  MGX         5.50    (#   2655:20  Unique         2.74, 5.67 A)
 &rst
  ixpk= 2655, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:2657    18 VAL  MGX         4.50    (#   2657:20  Single Ambig)
 &rst
  ixpk= 2657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1234,1235,1149,1150, 313, 314,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2658    18 VAL  MGX         4.50    (#   2658:20  Single Ambig)
 &rst
  ixpk= 2658, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1268,1269,1202,1262,1263,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2659    18 VAL  MGX         4.50    (#   2659:20  Single Ambig)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  50,  51, 277, 278,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   47 TYR  HE           18 VAL  MGX         5.50    (#   2661:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 760, 765,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    4 TRP  HE3          18 VAL  MGX         5.50    (#   2662:20  Unique         2.92, 5.21 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   18 VAL  HN           18 VAL  MGX         5.50    (#   2663:20  Unique         1.95, 3.81 A)
 &rst
  ixpk= 2663, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2664    18 VAL  MGX         5.50    (#   2664:20  Single Ambig)
 &rst
  ixpk= 2664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 330,1280,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   38 PRO  HD-          37 VAL  MGX         5.50    (#   2665:20  Unique         3.70, 5.29 A)
 &rst
  ixpk= 2665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 609, 610,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   38 PRO  HD+          37 VAL  MGX         5.50    (#   2666:20  Unique         3.70, 5.29 A)
 &rst
  ixpk= 2666, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 609, 610,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   33 ILE  HA           37 VAL  MGX         5.50    (#   2667:20  Unique         3.18, 5.70 A)
 &rst
  ixpk= 2667, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   64 MET  HB-          33 ILE  QG2         5.50    (#   2674:20  Unique         4.35, 5.65 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1004,1005,
 igr2= 545, 546, 547,
 &end
#
#   64 MET  HB+          33 ILE  QG2         5.50    (#   2675:20  Unique         4.35, 5.65 A)
 &rst
  ixpk= 2675, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1004,1005,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:2676    33 ILE  QG2         5.50    (#   2676:20  Single Ambig)
 &rst
  ixpk= 2676, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1032,1041, 568,
 igr2= 545, 546, 547,
 &end
#
#   32 ARG  HN           33 ILE  QG2         5.50    (#   2677:20  Unique         3.42, 4.66 A)
 &rst
  ixpk= 2677, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 545, 546, 547,
 &end
#
#   32 ARG  HN           24 ILE  QG2         4.50    (#   2678:20  Unique         3.63, 5.08 A)
 &rst
  ixpk= 2678, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 379, 380, 381,
 &end
#
#   71 ASN  HD2+         57 ALA  MB          4.50    (#   2679:20  Unique         4.04, 5.93 A)
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1116,1117,
 igr2= 893, 894, 895,
 &end
#
#   56 GLN  HN           57 ALA  MB          5.50    (#   2680:20  Unique         4.21, 5.20 A)
 &rst
  ixpk= 2680, nxpk= 20, iat= 872,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:2682     7 VAL  MGX         5.50    (#   2682:20  Single Ambig)
 &rst
  ixpk= 2682, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 750, 889,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   26 LEU  HN            7 VAL  MGX         5.50    (#   2683:20  Unique         3.50, 5.28 A)
 &rst
  ixpk= 2683, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2684     7 VAL  MGX         5.50    (#   2684:20  Single Ambig)
 &rst
  ixpk= 2684, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 117, 849, 850,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   47 TYR  HA            7 VAL  MGX         5.50    (#   2685:20  Unique         4.16, 6.16 A)
 &rst
  ixpk= 2685, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  HA            7 VAL  MGX         4.50    (#   2686:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 2686, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   53 GLN  HA            7 VAL  MGX         5.50    (#   2688:20  Unique         4.48, 7.23 A)
 &rst
  ixpk= 2688, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2689     7 VAL  MGX         5.50    (#   2689:20  Single Ambig)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 408, 891,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2690    34 ALA  MB          5.50    (#   2690:20  Single Ambig)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 647, 648, 647, 648,
 igr2= 562, 563, 564,
 &end
#
#    0 AMB  20-2:2691    34 ALA  MB          4.50    (#   2691:20  Single Ambig)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 539, 592,
 igr2= 562, 563, 564,
 &end
#
#   13 TYR  HN            9 VAL  MGX         5.50    (#   2693:20  Unique         3.30, 5.89 A)
 &rst
  ixpk= 2693, nxpk= 20, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   82 LYS  HE-          78 ILE  QG2         4.50    (#   2694:20  Unique         2.18, 5.35 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1271,1272,
 igr2=1204,1205,1206,
 &end
#
#   82 LYS  HE+          78 ILE  QG2         4.50    (#   2695:20  Unique         2.18, 5.35 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1271,1272,
 igr2=1204,1205,1206,
 &end
#
#   79 ALA  HA           78 ILE  QG2         5.50    (#   2696:20  Unique         3.85, 5.33 A)
 &rst
  ixpk= 2696, nxpk= 20, iat=1219,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1204,1205,1206,
 &end
#
#   79 ALA  HN           78 ILE  QG2         4.50    (#   2697:20  Unique         2.43, 3.81 A)
 &rst
  ixpk= 2697, nxpk= 20, iat=1217,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1204,1205,1206,
 &end
#
#   78 ILE  HN           78 ILE  QG2         4.50    (#   2698:20  Unique         4.39, 4.59 A)
 &rst
  ixpk= 2698, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:2701    64 MET  ME          5.50    (#   2701:20  Single Ambig)
 &rst
  ixpk= 2701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1000,1017,
 igr2=1011,1012,1013,
 &end
#
#   61 LEU  MDX          60 ILE  QG2         4.50    (#   2702:20  Unique         3.52, 6.39 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 942, 943, 944,
 &end
#
#   59 GLU  HN           60 ILE  QG2         5.50    (#   2703:20  Unique         6.53, 6.81 A)
 &rst
  ixpk= 2703, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 942, 943, 944,
 &end
#
#    0 AMB  20-2:2704    60 ILE  QG2         5.50    (#   2704:20  Single Ambig)
 &rst
  ixpk= 2704, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1000, 884, 885,
 igr2= 942, 943, 944,
 &end
#
#    7 VAL  HA            5 ILE  QG2         5.50    (#   2706:20  Unique         3.27, 4.29 A)
 &rst
  ixpk= 2706, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  76,  77,  78,
 &end
#
#    5 ILE  HN            5 ILE  QG2         5.50    (#   2707:20  Unique         4.32, 4.69 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  76,  77,  78,
 &end
#
#   78 ILE  HA           79 ALA  MB          5.50    (#   2709:20  Unique         4.18, 4.98 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1221,1222,1223,
 &end
#
#   33 ILE  QG2          33 ILE  QD1         3.50    (#   2710:20  Unique         3.56, 4.63 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 545, 546, 547,
 igr2= 552, 553, 554,
 &end
#
#   44 VAL  MGY          33 ILE  QD1         3.50    (#   2711:20  Unique         2.00, 3.87 A)
 &rst
  ixpk= 2711, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 552, 553, 554,
 &end
#
#   36 ALA  HN           33 ILE  QD1         5.50    (#   2712:20  Unique         4.43, 5.98 A)
 &rst
  ixpk= 2712, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:2713     0 AMB  20-1:2713   3.50    (#   2713:20  Double Ambig)
 &rst
  ixpk= 2713, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
 igr1=1154,1155,1156,1158,1159,1160,1208,1209, 468, 469,
       470, 472, 473, 474,
 igr2=1211,1212,1213, 552, 553, 554,
 &end
#
#   47 TYR  HA           78 ILE  QD1         5.50    (#   2714:20  Unique         4.13, 5.57 A)
 &rst
  ixpk= 2714, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1211,1212,1213,
 &end
#
#    4 TRP  HH2          78 ILE  QD1         4.50    (#   2715:20  Unique         2.25, 3.67 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=  61,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:2716    78 ILE  QD1         5.50    (#   2716:20  Single Ambig)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1145, 771,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:2717    60 ILE  QD1         5.50    (#   2717:20  Single Ambig)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 491, 492, 491, 492,
 igr2= 949, 950, 951,
 &end
#
#   59 GLU  HN           60 ILE  QD1         5.50    (#   2718:20  Unique         4.37, 5.78 A)
 &rst
  ixpk= 2718, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:2719    60 ILE  QD1         5.50    (#   2719:20  Single Ambig)
 &rst
  ixpk= 2719, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 889, 955,
 igr2= 949, 950, 951,
 &end
#
#    3 HIS  HB+          22 ILE  QD1         5.50    (#   2721:20  Unique         2.66, 5.97 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  33,  34,
 igr2= 353, 354, 355,
 &end
#
#   22 ILE  HA           22 ILE  QD1         5.50    (#   2722:20  Unique         2.07, 3.33 A)
 &rst
  ixpk= 2722, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 353, 354, 355,
 &end
#
#   23 ASN  HN           22 ILE  QD1         5.50    (#   2723:20  Unique         3.85, 5.34 A)
 &rst
  ixpk= 2723, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 353, 354, 355,
 &end
#
#    0 AMB  20-2:2724    24 ILE  QD1         2.80    (#   2724:20  Single Ambig)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 468, 469, 470, 472, 473, 474, 383, 384,
 igr2= 386, 387, 388,
 &end
#
#   33 ILE  HN           24 ILE  QD1         5.50    (#   2725:20  Unique         3.67, 4.91 A)
 &rst
  ixpk= 2725, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:2726    24 ILE  QD1         5.50    (#   2726:20  Single Ambig)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 462, 373,
 igr2= 386, 387, 388,
 &end
#
#   36 ALA  HN           24 ILE  QD1         5.50    (#   2727:20  Unique         5.28, 5.99 A)
 &rst
  ixpk= 2727, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HA           24 ILE  QD1         4.50    (#   2728:20  Unique         4.47, 4.87 A)
 &rst
  ixpk= 2728, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 386, 387, 388,
 &end
#
#   29 VAL  HA           24 ILE  QD1         4.50    (#   2729:20  Unique         2.00, 3.88 A)
 &rst
  ixpk= 2729, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HB           24 ILE  QD1         3.50    (#   2730:20  Unique         2.45, 3.17 A)
 &rst
  ixpk= 2730, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 386, 387, 388,
 &end
#
#    3 HIS  HB-           5 ILE  QD1         4.50    (#   2731:20  Unique         2.55, 4.34 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  33,  34,
 igr2=  83,  84,  85,
 &end
#
#    6 ASP  HN            5 ILE  QD1         5.50    (#   2732:20  Unique         3.33, 4.88 A)
 &rst
  ixpk= 2732, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  83,  84,  85,
 &end
#
#    5 ILE  HN            5 ILE  QD1         5.50    (#   2733:20  Unique         2.52, 4.49 A)
 &rst
  ixpk= 2733, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  83,  84,  85,
 &end
#
#   17 HIS  HB+          17 HIS  HA          3.50    (#   2734:20  Unique         2.36, 2.47 A)
 &rst
  ixpk= 2734, nxpk= 20, iat=  -1, 275, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 277, 278,
 &end
#
#   71 ASN  HB+          70 GLU  HA          4.50    (#   2735:20  Unique         4.07, 4.77 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1111,1112,
 &end
#
#    2 GLU  HA            1 ALA  HA          4.50    (#   2736:20  Unique         4.30, 4.35 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  16,   6, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 GLY  HN           85 GLY  HA-         3.50    (#   2737:20  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2737, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:2738    40 LYS  HB-         5.50    (#   2738:20  Single Ambig)
 &rst
  ixpk= 2738, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 647, 648, 647, 648,
 igr2= 638, 639,
 &end
#
#   64 MET  ME           30 LYS  HG-         4.50    (#   2739:20  Unique         2.07, 4.90 A)
 &rst
  ixpk= 2739, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1011,1012,1013,
 igr2= 485, 486,
 &end
#
#   35 THR  HB           35 THR  MG2         2.80    (#   2740:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 2740, nxpk= 20, iat= 572,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 574, 575, 576,
 &end
#
#   33 ILE  HG1-         33 ILE  QG2         3.50    (#   2741:20  Unique         2.09, 3.14 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 549, 550,
 igr2= 545, 546, 547,
 &end
#
#   84 LYS  HA           85 GLY  HA-         5.50    (#   2742:20  Unique         4.30, 4.42 A)
 &rst
  ixpk= 2742, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:2743    85 GLY  HA-         5.50    (#   2743:20  Single Ambig)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 231, 232, 231, 232,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:2744     0 AMB  20-1:2744   5.50    (#   2744:20  Double Ambig)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1149,1150, 800, 801, 802,
 igr2=1140,1141,1140,1141,
 &end
#
#   78 ILE  HN           77 ASP  HB-         4.50    (#   2745:20  Unique         2.71, 3.69 A)
 &rst
  ixpk= 2745, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1190,1191,
 &end
#
#    4 TRP  HE3           4 TRP  HB-         4.50    (#   2747:20  Unique         2.51, 3.41 A)
 &rst
  ixpk= 2747, nxpk= 20, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:2748    59 GLU  HA          5.50    (#   2748:20  Single Ambig)
 &rst
  ixpk= 2748, nxpk= 20, iat=  -1, 923, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 955, 899,
 &end
#
#   47 TYR  HA           54 SER  HA          5.50    (#   2750:20  Unique         4.61, 5.31 A)
 &rst
  ixpk= 2750, nxpk= 20, iat= 752, 856, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2754    80 MET  ME          5.50    (#   2754:20  Single Ambig)
 &rst
  ixpk= 2754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 318, 319,  65,
 igr2=1238,1239,1240,
 &end
#
#    4 TRP  HE1          80 MET  ME          4.50    (#   2755:20  Unique         2.29, 3.66 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:2756    80 MET  ME          5.50    (#   2756:20  Single Ambig)
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1= 310, 311, 334, 335, 336,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:2758    80 MET  ME          3.50    (#   2758:20  Single Ambig)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1238,1239,1240,
 &end
#
#   78 ILE  QG2          80 MET  ME          5.50    (#   2759:20  Unique         2.75, 5.06 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1204,1205,1206,
 igr2=1238,1239,1240,
 &end
#
#   80 MET  HB-          80 MET  ME          4.50    (#   2760:20  Unique         2.10, 3.48 A)
 &rst
  ixpk= 2760, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1231,1232,
 igr2=1238,1239,1240,
 &end
#
#   80 MET  HG+          80 MET  ME          3.50    (#   2761:20  Unique         2.32, 3.66 A)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1234,1235,
 igr2=1238,1239,1240,
 &end
#
#   81 PRO  HG-          80 MET  ME          4.50    (#   2762:20  Unique         3.65, 5.77 A)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1248,1249,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:2763    80 MET  ME          3.50    (#   2763:20  Single Ambig)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1245,1246, 292,
 igr2=1238,1239,1240,
 &end
#
#   81 PRO  HD+          80 MET  ME          4.50    (#   2764:20  Unique         2.83, 4.97 A)
 &rst
  ixpk= 2764, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1245,1246,
 igr2=1238,1239,1240,
 &end
#
#   80 MET  HA           80 MET  ME          5.50    (#   2765:20  Unique         4.62, 5.29 A)
 &rst
  ixpk= 2765, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:2766    80 MET  ME          5.50    (#   2766:20  Single Ambig)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  61,1227,
 igr2=1238,1239,1240,
 &end
#
#    4 TRP  HZ2          80 MET  ME          5.50    (#   2767:20  Unique         2.29, 4.34 A)
 &rst
  ixpk= 2767, nxpk= 20, iat=  59,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1238,1239,1240,
 &end
#
#   19 GLN  HA           19 GLN  HN          4.50    (#      1:10  Unique         2.76, 2.80 A)
 &rst
  ixpk= 1, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   18 VAL  HA           19 GLN  HN          2.80    (#      2:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 2, nxpk= 10, iat= 292, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   19 GLN  HB+          19 GLN  HN          3.50    (#      3:10  Unique         2.09, 2.56 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#   19 GLN  HB-          19 GLN  HN          3.50    (#      4:10  Unique         2.09, 2.56 A)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#    0 AMB  10-2:5       19 GLN  HN          3.50    (#      5:10  Single Ambig)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 &end
#
#   73 GLY  HN           72 ALA  HN          4.50    (#      6:10  Unique         2.10, 2.56 A)
 &rst
  ixpk= 6, nxpk= 10, iat=1131,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASN  HA           72 ALA  HN          2.80    (#      7:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 7, nxpk= 10, iat=1109,1121, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 ALA  MB           72 ALA  HN          3.50    (#      8:10  Unique         2.10, 2.97 A)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1,1121, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1125,1126,1127,
 &end
#
#   72 ALA  HA           72 ALA  HN          4.50    (#      9:10  Unique         2.76, 2.88 A)
 &rst
  ixpk= 9, nxpk= 10, iat=1123,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 MET  ME            4 TRP  HE1         4.50    (#     10:10  Unique         2.29, 3.66 A)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1238,1239,1240,
 &end
#
#    4 TRP  HZ2           4 TRP  HE1         4.50    (#     11:10  Unique         2.82, 2.82 A)
 &rst
  ixpk= 11, nxpk= 10, iat=  59,  56, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HD1           4 TRP  HE1         3.50    (#     12:10  Unique         2.57, 2.57 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  54,  56, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:13       4 TRP  HE1         5.50    (#     13:10  Single Ambig)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  21,  22,  21,  22,
 &end
#
#   69 VAL  HA           44 VAL  HN          4.50    (#     15:10  Unique         1.99, 2.79 A)
 &rst
  ixpk= 15, nxpk= 10, iat=1078, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 VAL  HA           44 VAL  HN          4.50    (#     16:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 16, nxpk= 10, iat= 698, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:17      44 VAL  HN          3.50    (#     17:10  Single Ambig)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 700,1096,1097,
 &end
#
#   43 THR  MG2          44 VAL  HN          4.50    (#     18:10  Unique         1.96, 3.41 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 688, 689, 690,
 &end
#
#    0 AMB  10-2:19      44 VAL  HN          3.50    (#     19:10  Single Ambig)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   45 LYS  HA           45 LYS  HN          5.50    (#     20:10  Unique         2.84, 2.88 A)
 &rst
  ixpk= 20, nxpk= 10, iat= 714, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 VAL  HA           45 LYS  HN          2.80    (#     21:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 698, 712, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:22      45 LYS  HN          5.50    (#     22:10  Single Ambig)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 702, 703, 704, 706, 707, 708, 722, 723,
 &end
#
#    0 AMB  10-2:23      45 LYS  HN          3.50    (#     23:10  Single Ambig)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 719, 720, 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  10-2:24      45 LYS  HN          2.80    (#     24:10  Single Ambig)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
 igr1= 716, 717, 719, 720,  83,  84,  85,
 &end
#
#    5 ILE  HA            6 ASP  HN          3.50    (#     25:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  72,  89, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 ILE  QG2           6 ASP  HN          4.50    (#     26:10  Unique         2.07, 3.64 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  76,  77,  78,
 &end
#
#   69 VAL  HA           70 GLU  HN          2.80    (#     27:10  Unique         2.14, 2.24 A)
 &rst
  ixpk= 27, nxpk= 10, iat=1078,1092, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:28      70 GLU  HN          4.50    (#     28:10  Single Ambig)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 714,1109,
 &end
#
#    0 AMB  10-2:29      70 GLU  HN          4.50    (#     29:10  Single Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1080,1096,1097,
 &end
#
#    0 AMB  10-2:30      70 GLU  HN          4.50    (#     30:10  Single Ambig)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 909, 910,1096,1097,
 &end
#
#    6 ASP  HB+           6 ASP  HN          4.50    (#     31:10  Unique         2.08, 2.72 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  93,  94,
 &end
#
#    6 ASP  HB-           6 ASP  HN          4.50    (#     32:10  Unique         2.08, 2.72 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  93,  94,
 &end
#
#   68 HIS  HB-          68 HIS  HN          4.50    (#     33:10  Unique         2.53, 3.32 A)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#   67 THR  HN           68 HIS  HN          3.50    (#     34:10  Unique         1.93, 2.57 A)
 &rst
  ixpk= 34, nxpk= 10, iat=1045,1059, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 HIS  HA           68 HIS  HN          4.50    (#     35:10  Unique         2.80, 2.89 A)
 &rst
  ixpk= 35, nxpk= 10, iat=1061,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:37      68 HIS  HN          5.50    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   23 ASN  HD2-         24 ILE  HN          4.50    (#     38:10  Unique         3.03, 3.95 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 368, 369,
 &end
#
#   23 ASN  HA           24 ILE  HN          2.80    (#     39:10  Unique         2.18, 2.28 A)
 &rst
  ixpk= 39, nxpk= 10, iat= 361, 373, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 ILE  HB           24 ILE  HN          4.50    (#     40:10  Unique         2.91, 3.40 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 377, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:41      24 ILE  HN          4.50    (#     41:10  Single Ambig)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  76,  77,  78, 379, 380, 381,
 &end
#
#    3 HIS  HA            4 TRP  HN          2.80    (#     42:10  Unique         2.20, 2.29 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  31,  46, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 TRP  HB-           4 TRP  HN          3.50    (#     43:10  Unique         2.20, 2.97 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1,  46, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#    3 HIS  HB+           4 TRP  HN          4.50    (#     44:10  Unique         2.45, 3.23 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1,  46, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#    4 TRP  HA            4 TRP  HN          4.50    (#     45:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  48,  46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 VAL  HA           84 LYS  HN          2.80    (#     46:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 46, nxpk= 10, iat=1282,1296, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 LYS  HB+          84 LYS  HN          4.50    (#     47:10  Unique         2.25, 3.12 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1300,1301,
 &end
#
#    0 AMB  10-2:48      84 LYS  HN          3.50    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1300,1301,1306,1307,1306,1307,
 &end
#
#    0 AMB  10-2:49      84 LYS  HN          3.50    (#     49:10  Single Ambig)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1303,1304,1303,1304,
 &end
#
#   23 ASN  HA           23 ASN  HN          4.50    (#     50:10  Unique         2.27, 2.66 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 361, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ILE  HA           23 ASN  HN          3.50    (#     51:10  Unique         2.29, 2.75 A)
 &rst
  ixpk= 51, nxpk= 10, iat= 342, 359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 ASN  HB+          23 ASN  HN          3.50    (#     52:10  Unique         2.33, 2.95 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 363, 364,
 &end
#
#   22 ILE  HB           23 ASN  HN          4.50    (#     53:10  Unique         3.05, 3.41 A)
 &rst
  ixpk= 53, nxpk= 10, iat= 344, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ILE  QG2          23 ASN  HN          4.50    (#     54:10  Unique         1.99, 3.64 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 346, 347, 348,
 &end
#
#   23 ASN  HB-          23 ASN  HN          4.50    (#     55:10  Unique         2.33, 2.95 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 363, 364,
 &end
#
#   36 ALA  HA           36 ALA  HN          3.50    (#     57:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 57, nxpk= 10, iat= 584, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 VAL  HN           36 ALA  HN          2.80    (#     58:10  Unique         2.25, 2.48 A)
 &rst
  ixpk= 58, nxpk= 10, iat= 592, 582, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 ALA  MB           36 ALA  HN          2.80    (#     59:10  Unique         2.11, 2.92 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 586, 587, 588,
 &end
#
#   46 VAL  HA            5 ILE  HN          4.50    (#     60:10  Unique         3.10, 3.44 A)
 &rst
  ixpk= 60, nxpk= 10, iat= 736,  70, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HA            5 ILE  HN          2.80    (#     61:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  48,  70, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    5 ILE  HB            5 ILE  HN          3.50    (#     62:10  Unique         2.54, 2.74 A)
 &rst
  ixpk= 62, nxpk= 10, iat=  74,  70, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:63       5 ILE  HN          4.50    (#     63:10  Single Ambig)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  80,  81,  80,  81,
 &end
#
#    0 AMB  10-2:64       5 ILE  HN          4.50    (#     64:10  Single Ambig)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=  83,  84,  85, 716, 717,
 &end
#
#   41 ASN  HN           40 LYS  HN          4.50    (#     65:10  Unique         2.65, 2.74 A)
 &rst
  ixpk= 65, nxpk= 10, iat= 656, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 ASP  HA           40 LYS  HN          3.50    (#     66:10  Unique         2.16, 3.04 A)
 &rst
  ixpk= 66, nxpk= 10, iat= 624, 634, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 LYS  HA           40 LYS  HN          4.50    (#     67:10  Unique         2.27, 2.46 A)
 &rst
  ixpk= 67, nxpk= 10, iat= 636, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 LYS  HB+          40 LYS  HN          4.50    (#     68:10  Unique         2.17, 3.48 A)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 638, 639,
 &end
#
#   40 LYS  HB-          40 LYS  HN          3.50    (#     69:10  Unique         2.17, 3.48 A)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#    0 AMB  10-2:70      40 LYS  HN          3.50    (#     70:10  Single Ambig)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642, 644, 645,
 &end
#
#   40 LYS  HG-          40 LYS  HN          4.50    (#     71:10  Unique         2.09, 3.32 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 641, 642,
 &end
#
#   62 SER  HN           63 GLU  HN          3.50    (#     72:10  Unique         2.58, 2.73 A)
 &rst
  ixpk= 72, nxpk= 10, iat= 974, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 MET  HN           63 GLU  HN          4.50    (#     73:10  Unique         2.58, 2.65 A)
 &rst
  ixpk= 73, nxpk= 10, iat=1000, 985, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:74      63 GLU  HN          2.80    (#     74:10  Single Ambig)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 987, 923,
 &end
#
#    0 AMB  10-2:75      63 GLU  HN          2.80    (#     75:10  Single Ambig)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 989, 990, 989, 990,
 &end
#
#   76 LYS  HN           75 LEU  HN          5.50    (#     76:10  Unique         1.90, 2.76 A)
 &rst
  ixpk= 76, nxpk= 10, iat=1164,1145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 ASN  HA           75 LEU  HN          4.50    (#     77:10  Unique         2.06, 3.49 A)
 &rst
  ixpk= 77, nxpk= 10, iat= 784,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 GLY  HA+          75 LEU  HN          3.50    (#     78:10  Unique         2.17, 2.58 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1140,1141,
 &end
#
#   75 LEU  HA           75 LEU  HN          4.50    (#     79:10  Unique         2.76, 2.87 A)
 &rst
  ixpk= 79, nxpk= 10, iat=1147,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 GLY  HA-          75 LEU  HN          4.50    (#     80:10  Unique         2.17, 2.58 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1140,1141,
 &end
#
#   75 LEU  HB+          75 LEU  HN          3.50    (#     81:10  Unique         2.04, 2.83 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#   75 LEU  HG           75 LEU  HN          4.50    (#     82:10  Unique         2.11, 3.59 A)
 &rst
  ixpk= 82, nxpk= 10, iat=1152,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLU  HG+          63 GLU  HN          4.50    (#     83:10  Unique         1.95, 3.01 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 992, 993,
 &end
#
#    7 VAL  HA           26 LEU  HN          5.50    (#     84:10  Unique         2.05, 2.89 A)
 &rst
  ixpk= 84, nxpk= 10, iat= 103, 406, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HA           26 LEU  HN          3.50    (#     85:10  Unique         2.28, 2.60 A)
 &rst
  ixpk= 85, nxpk= 10, iat= 408, 406, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 PRO  HA           26 LEU  HN          2.80    (#     86:10  Unique         2.19, 2.48 A)
 &rst
  ixpk= 86, nxpk= 10, iat= 402, 406, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  HB           26 LEU  HN          4.50    (#     87:10  Unique         2.81, 3.45 A)
 &rst
  ixpk= 87, nxpk= 10, iat= 105, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HB+          26 LEU  HN          3.50    (#     88:10  Unique         2.09, 2.92 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#   26 LEU  HB-          26 LEU  HN          3.50    (#     89:10  Unique         2.09, 2.92 A)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#   33 ILE  HN           34 ALA  HN          4.50    (#     90:10  Unique         2.71, 2.76 A)
 &rst
  ixpk= 90, nxpk= 10, iat= 539, 558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 THR  HN           34 ALA  HN          3.50    (#     91:10  Unique         2.44, 2.63 A)
 &rst
  ixpk= 91, nxpk= 10, iat= 568, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  HA           34 ALA  HN          3.50    (#     92:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 560, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  MB           34 ALA  HN          2.80    (#     93:10  Unique         2.06, 2.88 A)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 562, 563, 564,
 &end
#
#   33 ILE  QG2          34 ALA  HN          2.80    (#     94:10  Unique         1.98, 2.99 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 545, 546, 547,
 &end
#
#   77 ASP  HN           78 ILE  HN          3.50    (#     95:10  Unique         1.90, 2.34 A)
 &rst
  ixpk= 95, nxpk= 10, iat=1186,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  HA           78 ILE  HN          4.50    (#     96:10  Unique         2.76, 2.88 A)
 &rst
  ixpk= 96, nxpk= 10, iat=1200,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ILE  HG1-         78 ILE  HN          3.50    (#     97:10  Unique         1.95, 2.95 A)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#   78 ILE  HB           78 ILE  HN          2.80    (#     98:10  Unique         2.52, 2.61 A)
 &rst
  ixpk= 98, nxpk= 10, iat=1202,1198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 ILE  HG1+         78 ILE  HN          4.50    (#     99:10  Unique         1.95, 2.95 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1208,1209,
 &end
#
#   78 ILE  QG2          78 ILE  HN          5.50    (#    100:10  Unique         4.39, 4.59 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1204,1205,1206,
 &end
#
#    7 VAL  HN            8 ARG  HN          4.50    (#    101:10  Unique         2.56, 2.68 A)
 &rst
  ixpk= 101, nxpk= 10, iat= 101, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ARG  HG-           8 ARG  HN          4.50    (#    102:10  Unique         2.27, 3.57 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 124, 125,
 &end
#
#   20 GLY  HN           21 ALA  HN          4.50    (#    103:10  Unique         1.90, 3.27 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 323, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 GLN  HN           57 ALA  HN          4.50    (#    104:10  Unique         2.24, 2.50 A)
 &rst
  ixpk= 104, nxpk= 10, iat= 872, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 ALA  HA           21 ALA  HN          4.50    (#    105:10  Unique         2.28, 2.71 A)
 &rst
  ixpk= 105, nxpk= 10, iat= 332, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 ALA  MB           21 ALA  HN          2.80    (#    106:10  Unique         2.07, 3.29 A)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 334, 335, 336,
 &end
#
#   81 PRO  HA           82 LYS  HN          2.80    (#    108:10  Unique         2.15, 2.19 A)
 &rst
  ixpk= 108, nxpk= 10, iat=1254,1258, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   81 PRO  HB+          82 LYS  HN          5.50    (#    109:10  Unique         3.04, 3.73 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1251,1252,
 &end
#
#    0 AMB  10-2:110     82 LYS  HN          2.80    (#    110:10  Single Ambig)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1262,1263,1268,1269,
 &end
#
#    8 ARG  HB-           8 ARG  HN          4.50    (#    111:10  Unique         2.06, 2.79 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#   57 ALA  HN           56 GLN  HN          3.50    (#    112:10  Unique         2.24, 2.50 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 889, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 GLN  HA           56 GLN  HN          4.50    (#    113:10  Unique         3.10, 3.40 A)
 &rst
  ixpk= 113, nxpk= 10, iat= 839, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 GLN  HA           56 GLN  HN          3.50    (#    114:10  Unique         2.78, 2.86 A)
 &rst
  ixpk= 114, nxpk= 10, iat= 874, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 GLY  HA+          56 GLN  HN          4.50    (#    115:10  Unique         2.65, 3.22 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 867, 868,
 &end
#
#    0 AMB  10-2:116     56 GLN  HN          4.50    (#    116:10  Single Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 867, 868, 856,
 &end
#
#   56 GLN  HG+          56 GLN  HN          4.50    (#    117:10  Unique         3.14, 4.23 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 879, 880,
 &end
#
#   56 GLN  HB+          56 GLN  HN          2.80    (#    118:10  Unique         2.10, 2.64 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 876, 877,
 &end
#
#   56 GLN  HB-          56 GLN  HN          4.50    (#    119:10  Unique         2.10, 2.64 A)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 876, 877,
 &end
#
#   21 ALA  HA           22 ILE  HN          2.80    (#    120:10  Unique         2.25, 2.52 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 332, 340, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:121     22 ILE  HN          3.50    (#    121:10  Single Ambig)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 334, 335, 336, 344,
 &end
#
#   22 ILE  HG1+         22 ILE  HN          4.50    (#    122:10  Unique         1.94, 3.02 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351,
 &end
#
#    3 HIS  HD2           3 HIS  HN          4.50    (#    123:10  Unique         3.21, 3.89 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  42,  29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    2 GLU  HA            3 HIS  HN          2.80    (#    124:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  16,  29, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 VAL  HA            3 HIS  HN          4.50    (#    125:10  Unique         2.75, 3.21 A)
 &rst
  ixpk= 125, nxpk= 10, iat= 698,  29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:126      3 HIS  HN          4.50    (#    126:10  Single Ambig)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  33,  34, 674, 675,
 &end
#
#    0 AMB  10-2:127      3 HIS  HN          4.50    (#    127:10  Single Ambig)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  21,  22,  21,  22,
 &end
#
#    0 AMB  10-2:128      3 HIS  HN          4.50    (#    128:10  Single Ambig)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  18,  19,  18,  19,
 &end
#
#    3 HIS  HA            3 HIS  HN          4.50    (#    129:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  31,  29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 GLN  HN           57 ALA  HN          3.50    (#    130:10  Unique         2.24, 2.50 A)
 &rst
  ixpk= 130, nxpk= 10, iat= 872, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:131      0 AMB  10-1:131    4.50    (#    131:10  Double Ambig)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 541, 891,
 igr2= 539, 889,
 &end
#
#    0 AMB  10-2:132     57 ALA  HN          4.50    (#    132:10  Single Ambig)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 856, 867, 868,
 &end
#
#   56 GLN  HB+          57 ALA  HN          4.50    (#    133:10  Unique         2.38, 3.18 A)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 876, 877,
 &end
#
#   56 GLN  HB-          57 ALA  HN          4.50    (#    134:10  Unique         2.38, 3.18 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 876, 877,
 &end
#
#   57 ALA  MB           57 ALA  HN          2.80    (#    135:10  Unique         2.13, 2.89 A)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 893, 894, 895,
 &end
#
#    0 AMB  10-2:136      0 AMB  10-1:136    4.50    (#    136:10  Double Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474,
 igr2= 889, 539,
 &end
#
#   41 ASN  HN           42 ASP  HN          3.50    (#    137:10  Unique         1.88, 2.12 A)
 &rst
  ixpk= 137, nxpk= 10, iat= 656, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASN  HA           42 ASP  HN          4.50    (#    138:10  Unique         2.95, 3.39 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 658, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ASP  HA           42 ASP  HN          3.50    (#    139:10  Unique         2.76, 2.85 A)
 &rst
  ixpk= 139, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:140     42 ASP  HN          2.80    (#    140:10  Single Ambig)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 626, 627, 674, 675,
 &end
#
#   42 ASP  HB-          42 ASP  HN          3.50    (#    141:10  Unique         2.14, 3.08 A)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   34 ALA  HN           33 ILE  HN          4.50    (#    142:10  Unique         2.71, 2.76 A)
 &rst
  ixpk= 142, nxpk= 10, iat= 558, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 ARG  HN           33 ILE  HN          3.50    (#    143:10  Unique         2.05, 2.30 A)
 &rst
  ixpk= 143, nxpk= 10, iat= 515, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:144      0 AMB  10-1:144    3.50    (#    144:10  Double Ambig)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 541, 891,
 igr2= 539, 889,
 &end
#
#    0 AMB  10-2:145     33 ILE  HN          2.80    (#    145:10  Single Ambig)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 519, 520, 543,
 &end
#
#   32 ARG  HB-          33 ILE  HN          4.50    (#    146:10  Unique         2.11, 3.07 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 519, 520,
 &end
#
#    0 AMB  10-2:147      0 AMB  10-1:147    2.80    (#    147:10  Double Ambig)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 545, 546, 547, 415, 416, 417, 419, 420, 421,
 igr2= 539, 889,
 &end
#
#    0 AMB  10-2:148     33 ILE  HN          4.50    (#    148:10  Single Ambig)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   68 HIS  HA           69 VAL  HN          2.80    (#    149:10  Unique         2.15, 2.49 A)
 &rst
  ixpk= 149, nxpk= 10, iat=1061,1076, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 VAL  HB           69 VAL  HN          3.50    (#    150:10  Unique         2.50, 3.20 A)
 &rst
  ixpk= 150, nxpk= 10, iat=1080,1076, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:151     69 VAL  HN          3.50    (#    151:10  Single Ambig)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,1076, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   17 HIS  HA           18 VAL  HN          3.50    (#    153:10  Unique         2.17, 2.45 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 275, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 HIS  HB+          18 VAL  HN          4.50    (#    154:10  Unique         1.95, 3.10 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 277, 278,
 &end
#
#    0 AMB  10-2:155     18 VAL  HN          4.50    (#    155:10  Single Ambig)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 334, 335, 336, 265, 266,
 &end
#
#   18 VAL  HB           18 VAL  HN          3.50    (#    156:10  Unique         2.50, 2.54 A)
 &rst
  ixpk= 156, nxpk= 10, iat= 294, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 VAL  MGY          18 VAL  HN          3.50    (#    157:10  Unique         1.95, 3.81 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  10-2:158     29 VAL  HN          2.80    (#    158:10  Single Ambig)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 447, 478,
 &end
#
#   28 GLU  HA           29 VAL  HN          5.50    (#    159:10  Unique         3.41, 3.49 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 449, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 VAL  HA           29 VAL  HN          3.50    (#    160:10  Unique         2.69, 2.77 A)
 &rst
  ixpk= 160, nxpk= 10, iat= 464, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HB           29 VAL  HN          2.80    (#    161:10  Unique         2.11, 2.31 A)
 &rst
  ixpk= 161, nxpk= 10, iat= 466, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:162     29 VAL  HN          5.50    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 451, 452, 519, 520, 522, 523, 482, 483,
 &end
#
#   29 VAL  MGY          29 VAL  HN          3.50    (#    163:10  Unique         2.00, 3.93 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  MGX          29 VAL  HN          4.50    (#    164:10  Unique         2.00, 3.93 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   24 ILE  QG2          29 VAL  HN          4.50    (#    165:10  Unique         2.33, 3.81 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 379, 380, 381,
 &end
#
#   70 GLU  HA           71 ASN  HN          2.80    (#    167:10  Unique         2.16, 2.33 A)
 &rst
  ixpk= 167, nxpk= 10, iat=1094,1107, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 ASN  HB+          71 ASN  HN          3.50    (#    168:10  Unique         2.21, 2.85 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1111,1112,
 &end
#
#   71 ASN  HB-          71 ASN  HN          4.50    (#    169:10  Unique         2.21, 2.85 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1111,1112,
 &end
#
#   14 GLN  HN           13 TYR  HN          4.50    (#    170:10  Unique         2.43, 2.76 A)
 &rst
  ixpk= 170, nxpk= 10, iat= 224, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 TYR  HA           13 TYR  HN          4.50    (#    171:10  Unique         2.75, 2.78 A)
 &rst
  ixpk= 171, nxpk= 10, iat= 205, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 TYR  HB+          13 TYR  HN          3.50    (#    172:10  Unique         2.23, 2.54 A)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#   13 TYR  HB-          13 TYR  HN          4.50    (#    173:10  Unique         2.23, 2.54 A)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#    0 AMB  10-2:174     13 TYR  HN          4.50    (#    174:10  Single Ambig)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 190, 191, 190, 191,
 &end
#
#   65 GLY  HN           66 TYR  HN          3.50    (#    175:10  Unique         1.90, 2.08 A)
 &rst
  ixpk= 175, nxpk= 10, iat=1017,1024, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HD           66 TYR  HN          3.50    (#    176:10  Unique         1.94, 3.54 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1032,1041,
 &end
#
#    0 AMB  10-2:177     66 TYR  HN          3.50    (#    177:10  Single Ambig)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 976,1026,
 &end
#
#   66 TYR  HB+          66 TYR  HN          4.50    (#    178:10  Unique         2.23, 3.00 A)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   66 TYR  HB-          66 TYR  HN          3.50    (#    179:10  Unique         2.23, 3.00 A)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1028,1029,
 &end
#
#   12 GLN  HN           13 TYR  HN          3.50    (#    180:10  Unique         2.19, 2.35 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 186, 203, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 LEU  HN           60 ILE  HN          4.50    (#    182:10  Unique         2.42, 2.83 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 955, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:183     60 ILE  HN          2.80    (#    183:10  Single Ambig)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 946, 947, 940,
 &end
#
#   60 ILE  HG1+         60 ILE  HN          4.50    (#    184:10  Unique         1.95, 2.78 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 946, 947,
 &end
#
#    0 AMB  10-2:185     60 ILE  HN          4.50    (#    185:10  Single Ambig)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 949, 950, 951, 942, 943, 944,
 &end
#
#   59 GLU  HN           60 ILE  HN          4.50    (#    186:10  Unique         2.25, 2.41 A)
 &rst
  ixpk= 186, nxpk= 10, iat= 921, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 ALA  HA           60 ILE  HN          4.50    (#    187:10  Unique         2.99, 3.24 A)
 &rst
  ixpk= 187, nxpk= 10, iat= 891, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ILE  HA           60 ILE  HN          4.50    (#    188:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 188, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:189     60 ILE  HN          3.50    (#    189:10  Single Ambig)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 925, 926, 925, 926,
 &end
#
#   82 LYS  HE+          80 MET  HN          5.50    (#    190:10  Unique         3.06, 4.17 A)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   80 MET  HA           80 MET  HN          4.50    (#    191:10  Unique         2.86, 2.93 A)
 &rst
  ixpk= 191, nxpk= 10, iat=1229,1227, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 ALA  HA           80 MET  HN          2.80    (#    192:10  Unique         2.27, 2.61 A)
 &rst
  ixpk= 192, nxpk= 10, iat=1219,1227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 MET  HG+          80 MET  HN          5.50    (#    193:10  Unique         3.68, 4.07 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1234,1235,
 &end
#
#   80 MET  HB+          80 MET  HN          5.50    (#    194:10  Unique         2.37, 3.14 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1231,1232,
 &end
#
#   79 ALA  MB           80 MET  HN          5.50    (#    195:10  Unique         4.10, 4.46 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1221,1222,1223,
 &end
#
#   80 MET  HB-          80 MET  HN          4.50    (#    196:10  Unique         2.37, 3.14 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1231,1232,
 &end
#
#   78 ILE  QG2          80 MET  HN          3.50    (#    197:10  Unique         1.95, 3.78 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1204,1205,1206,
 &end
#
#    0 AMB  10-2:198     59 GLU  HN          3.50    (#    198:10  Single Ambig)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 899, 955,
 &end
#
#   60 ILE  HN           59 GLU  HN          4.50    (#    199:10  Unique         2.25, 2.41 A)
 &rst
  ixpk= 199, nxpk= 10, iat= 936, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HA           59 GLU  HN          3.50    (#    200:10  Unique         2.81, 2.89 A)
 &rst
  ixpk= 200, nxpk= 10, iat= 923, 921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLU  HG+          59 GLU  HN          4.50    (#    201:10  Unique         2.48, 3.54 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#   59 GLU  HG-          59 GLU  HN          4.50    (#    202:10  Unique         2.48, 3.54 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#    0 AMB  10-2:203     59 GLU  HN          2.80    (#    203:10  Single Ambig)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 903, 904, 925, 926, 925, 926,
 &end
#
#   58 LYS  HB-          59 GLU  HN          4.50    (#    204:10  Unique         1.95, 3.38 A)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 903, 904,
 &end
#
#    0 AMB  10-2:206      2 GLU  HN          3.50    (#    206:10  Single Ambig)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1,  14, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=   6, 686,
 &end
#
#    0 AMB  10-2:207      2 GLU  HN          4.50    (#    207:10  Single Ambig)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,  14, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  18,  19,  18,  19,
 &end
#
#    1 ALA  MB            2 GLU  HN          4.50    (#    208:10  Unique         2.89, 4.36 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,  14, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=   8,   9,  10,
 &end
#
#   17 HIS  HN           83 VAL  HN          4.50    (#    209:10  Unique         1.89, 2.65 A)
 &rst
  ixpk= 209, nxpk= 10, iat= 273,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 LYS  HB+          83 VAL  HN          4.50    (#    211:10  Unique         2.22, 3.07 A)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1262,1263,
 &end
#
#    0 AMB  10-2:212     83 VAL  HN          3.50    (#    212:10  Single Ambig)
 &rst
  ixpk= 212, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1262,1263,1284,1265,1266,
 &end
#
#   83 VAL  MGX          83 VAL  HN          3.50    (#    213:10  Unique         1.95, 4.05 A)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HA           83 VAL  HN          4.50    (#    214:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 214, nxpk= 10, iat=1282,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 SER  HN           61 LEU  HN          4.50    (#    215:10  Unique         2.21, 2.58 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 974, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ILE  HN           61 LEU  HN          4.50    (#    216:10  Unique         2.42, 2.83 A)
 &rst
  ixpk= 216, nxpk= 10, iat= 936, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:217     61 LEU  HN          4.50    (#    217:10  Single Ambig)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 957, 923, 978, 979,
 &end
#
#    0 AMB  10-2:218     61 LEU  HN          2.80    (#    218:10  Single Ambig)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 940, 959, 960,
 &end
#
#   61 LEU  HG           61 LEU  HN          3.50    (#    219:10  Unique         2.02, 2.36 A)
 &rst
  ixpk= 219, nxpk= 10, iat= 962, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 LEU  HB-          61 LEU  HN          4.50    (#    220:10  Unique         2.31, 3.03 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 959, 960,
 &end
#
#    0 AMB  10-2:221     61 LEU  HN          4.50    (#    221:10  Single Ambig)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 942, 943, 944,1082,1083,1084,1086,1087,1088,1082,
      1083,1084,1086,1087,1088, 949, 950, 951,
 &end
#
#   61 LEU  MDY          61 LEU  HN          4.50    (#    222:10  Unique         3.14, 4.34 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#   46 VAL  HA           47 TYR  HN          2.80    (#    223:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 223, nxpk= 10, iat= 736, 750, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:224     47 TYR  HN          4.50    (#    224:10  Single Ambig)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  91, 858, 859,
 &end
#
#    0 AMB  10-2:225     47 TYR  HN          3.50    (#    225:10  Single Ambig)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 738,  74,
 &end
#
#    0 AMB  10-2:226     47 TYR  HN          4.50    (#    226:10  Single Ambig)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 107, 108, 109, 111, 112, 113, 740, 741, 742, 744,
       745, 746,
 &end
#
#   13 TYR  HN           14 GLN  HN          4.50    (#    227:10  Unique         2.43, 2.76 A)
 &rst
  ixpk= 227, nxpk= 10, iat= 203, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLN  HN           14 GLN  HN          4.50    (#    228:10  Unique         2.42, 2.82 A)
 &rst
  ixpk= 228, nxpk= 10, iat= 241, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 GLN  HA           14 GLN  HN          4.50    (#    229:10  Unique         2.76, 2.87 A)
 &rst
  ixpk= 229, nxpk= 10, iat= 226, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 TYR  HB+          14 GLN  HN          4.50    (#    230:10  Unique         2.18, 3.41 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#    0 AMB  10-2:231     14 GLN  HN          4.50    (#    231:10  Single Ambig)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 231, 232, 231, 232,
 &end
#
#    0 AMB  10-2:232     14 GLN  HN          2.80    (#    232:10  Single Ambig)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 228, 229, 228, 229,
 &end
#
#   39 ASP  HA           39 ASP  HN          5.50    (#    233:10  Unique         2.75, 2.81 A)
 &rst
  ixpk= 233, nxpk= 10, iat= 624, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HD+          39 ASP  HN          4.50    (#    234:10  Unique         2.65, 3.31 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 609, 610,
 &end
#
#   39 ASP  HB+          39 ASP  HN          3.50    (#    235:10  Unique         2.07, 2.81 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 626, 627,
 &end
#
#   39 ASP  HB-          39 ASP  HN          3.50    (#    236:10  Unique         2.07, 2.81 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 626, 627,
 &end
#
#    0 AMB  10-2:237     39 ASP  HN          3.50    (#    237:10  Single Ambig)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 612, 613, 612, 613,
 &end
#
#   39 ASP  HA           39 ASP  HN          4.50    (#    239:10  Unique         2.75, 2.81 A)
 &rst
  ixpk= 239, nxpk= 10, iat= 624, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 GLU  HN           30 LYS  HN          4.50    (#    244:10  Unique         2.24, 2.65 A)
 &rst
  ixpk= 244, nxpk= 10, iat= 500, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HN           30 LYS  HN          4.50    (#    245:10  Unique         2.59, 2.74 A)
 &rst
  ixpk= 245, nxpk= 10, iat= 462, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 LYS  HA           30 LYS  HN          4.50    (#    246:10  Unique         2.71, 2.82 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:247     30 LYS  HN          3.50    (#    247:10  Single Ambig)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 466, 504, 505,
 &end
#
#   30 LYS  HB-          30 LYS  HN          2.80    (#    248:10  Unique         2.08, 2.63 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 482, 483,
 &end
#
#    0 AMB  10-2:249     30 LYS  HN          4.50    (#    249:10  Single Ambig)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 485, 486, 519, 520,
 &end
#
#   29 VAL  MGY          30 LYS  HN          4.50    (#    250:10  Unique         2.14, 4.28 A)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  MGX          30 LYS  HN          4.50    (#    251:10  Unique         2.14, 4.28 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   30 LYS  HB-          30 LYS  HN          4.50    (#    252:10  Unique         2.08, 2.63 A)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 482, 483,
 &end
#
#   59 GLU  HN           58 LYS  HN          4.50    (#    253:10  Unique         2.53, 2.69 A)
 &rst
  ixpk= 253, nxpk= 10, iat= 921, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:254     58 LYS  HN          3.50    (#    254:10  Single Ambig)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 901, 891,
 &end
#
#   58 LYS  HB+          58 LYS  HN          3.50    (#    255:10  Unique         2.07, 2.54 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 903, 904,
 &end
#
#   58 LYS  HB-          58 LYS  HN          2.80    (#    256:10  Unique         2.07, 2.54 A)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 903, 904,
 &end
#
#    0 AMB  10-2:257     58 LYS  HN          4.50    (#    257:10  Single Ambig)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 740, 741, 742, 744, 745, 746, 415, 416, 417, 419,
       420, 421,1082,1083,1084,1086,1087,1088,1082,1083,
      1084,1086,1087,1088,
 &end
#
#   47 TYR  HA           48 CYS  HN          2.80    (#    258:10  Unique         2.15, 2.26 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 752, 771, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 TYR  HB+          48 CYS  HN          3.50    (#    260:10  Unique         2.30, 3.49 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 754, 755,
 &end
#
#   47 TYR  HB-          48 CYS  HN          4.50    (#    261:10  Unique         2.30, 3.49 A)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 754, 755,
 &end
#
#    8 ARG  HN            7 VAL  HN          4.50    (#    262:10  Unique         2.56, 2.68 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 117, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 ASP  HA            7 VAL  HN          2.80    (#    263:10  Unique         2.21, 2.34 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  91, 101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  MGX           7 VAL  HN          2.80    (#    264:10  Unique         1.96, 3.03 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  MGY           7 VAL  HN          3.50    (#    265:10  Unique         1.96, 3.03 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   12 GLN  HA           12 GLN  HN          4.50    (#    266:10  Unique         2.83, 2.89 A)
 &rst
  ixpk= 266, nxpk= 10, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLU  HN           12 GLN  HN          4.50    (#    267:10  Unique         2.30, 2.62 A)
 &rst
  ixpk= 267, nxpk= 10, iat= 171, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 TYR  HN           12 GLN  HN          3.50    (#    268:10  Unique         2.19, 2.35 A)
 &rst
  ixpk= 268, nxpk= 10, iat= 203, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 GLN  HG-          12 GLN  HN          4.50    (#    269:10  Unique         2.31, 3.30 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 193, 194,
 &end
#
#    0 AMB  10-2:270     12 GLN  HN          2.80    (#    270:10  Single Ambig)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 190, 191, 190, 191,
 &end
#
#    9 VAL  MGX          12 GLN  HN          3.50    (#    271:10  Unique         1.94, 4.27 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   61 LEU  HN           62 SER  HN          4.50    (#    272:10  Unique         2.21, 2.58 A)
 &rst
  ixpk= 272, nxpk= 10, iat= 955, 974, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLU  HN           62 SER  HN          3.50    (#    273:10  Unique         2.58, 2.73 A)
 &rst
  ixpk= 273, nxpk= 10, iat= 985, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 SER  HA           62 SER  HN          4.50    (#    274:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 274, nxpk= 10, iat= 976, 974, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:275     62 SER  HN          2.80    (#    275:10  Single Ambig)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 978, 979, 978, 979,
 &end
#
#   61 LEU  HB+          62 SER  HN          4.50    (#    276:10  Unique         2.43, 3.32 A)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 959, 960,
 &end
#
#   61 LEU  HB-          62 SER  HN          5.50    (#    277:10  Unique         2.43, 3.32 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 959, 960,
 &end
#
#    0 AMB  10-2:278     62 SER  HN          4.50    (#    278:10  Single Ambig)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   84 LYS  HA           85 GLY  HN          2.80    (#    279:10  Unique         2.15, 2.34 A)
 &rst
  ixpk= 279, nxpk= 10, iat=1298,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   85 GLY  HA+          85 GLY  HN          4.50    (#    280:10  Unique         2.30, 2.70 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1320,1321,
 &end
#
#   85 GLY  HA-          85 GLY  HN          3.50    (#    281:10  Unique         2.30, 2.70 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1320,1321,
 &end
#
#   84 LYS  HB+          85 GLY  HN          4.50    (#    282:10  Unique         1.95, 3.20 A)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1300,1301,
 &end
#
#   27 LYS  HN           28 GLU  HN          4.50    (#    283:10  Unique         2.11, 2.70 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 425, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 GLN  HN           15 GLN  HN          4.50    (#    284:10  Unique         2.42, 2.82 A)
 &rst
  ixpk= 284, nxpk= 10, iat= 224, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HN           15 GLN  HN          3.50    (#    285:10  Unique         1.90, 2.83 A)
 &rst
  ixpk= 285, nxpk= 10, iat= 258, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLN  HA           15 GLN  HN          3.50    (#    286:10  Unique         2.76, 2.85 A)
 &rst
  ixpk= 286, nxpk= 10, iat= 243, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLN  HG+          15 GLN  HN          4.50    (#    287:10  Unique         2.38, 3.75 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 248, 249,
 &end
#
#    0 AMB  10-2:288     15 GLN  HN          3.50    (#    288:10  Single Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 228, 229, 228, 229,
 &end
#
#   29 VAL  HN           28 GLU  HN          2.80    (#    289:10  Unique         1.84, 2.14 A)
 &rst
  ixpk= 289, nxpk= 10, iat= 462, 447, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   28 GLU  HA           28 GLU  HN          4.50    (#    290:10  Unique         2.82, 2.90 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 449, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:291     28 GLU  HN          4.50    (#    291:10  Single Ambig)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 451, 452, 399, 400,
 &end
#
#    0 AMB  10-2:292     28 GLU  HN          4.50    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 396, 397, 454, 455,
 &end
#
#    0 AMB  10-2:293     28 GLU  HN          3.50    (#    293:10  Single Ambig)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 451, 452, 429, 430,
 &end
#
#    2 GLU  HA           43 THR  HN          4.50    (#    294:10  Unique         2.25, 2.84 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  16, 682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ASP  HA           43 THR  HN          2.80    (#    295:10  Unique         2.15, 2.36 A)
 &rst
  ixpk= 295, nxpk= 10, iat= 672, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:296     43 THR  HN          2.80    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 686,   6,
 &end
#
#   42 ASP  HB+          43 THR  HN          4.50    (#    297:10  Unique         1.95, 3.23 A)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 674, 675,
 &end
#
#   42 ASP  HB-          43 THR  HN          3.50    (#    298:10  Unique         1.95, 3.23 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   76 LYS  HN           77 ASP  HN          4.50    (#    299:10  Unique         1.90, 2.69 A)
 &rst
  ixpk= 299, nxpk= 10, iat=1164,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ILE  HN           77 ASP  HN          3.50    (#    300:10  Unique         1.90, 2.34 A)
 &rst
  ixpk= 300, nxpk= 10, iat=1198,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:302      0 AMB  10-1:302    4.50    (#    302:10  Double Ambig)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1190,1191,1007,1008,
 igr2=1186,1000,
 &end
#
#    0 AMB  10-2:303      0 AMB  10-1:303    3.50    (#    303:10  Double Ambig)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1190,1191,1007,1008,
 igr2=1186,1000,
 &end
#
#    0 AMB  10-2:304     77 ASP  HN          4.50    (#    304:10  Single Ambig)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1168,1169,1208,1209,
 &end
#
#    0 AMB  10-2:305     77 ASP  HN          4.50    (#    305:10  Single Ambig)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1171,1172,1171,1172,
 &end
#
#   40 LYS  HN           41 ASN  HN          3.50    (#    306:10  Unique         2.65, 2.74 A)
 &rst
  ixpk= 306, nxpk= 10, iat= 634, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 ASP  HN           41 ASN  HN          2.80    (#    307:10  Unique         1.88, 2.12 A)
 &rst
  ixpk= 307, nxpk= 10, iat= 670, 656, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   41 ASN  HA           41 ASN  HN          3.50    (#    308:10  Unique         2.79, 2.91 A)
 &rst
  ixpk= 308, nxpk= 10, iat= 658, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:309     41 ASN  HN          3.50    (#    309:10  Single Ambig)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 660, 661, 626, 627,
 &end
#
#   41 ASN  HB-          41 ASN  HN          2.80    (#    310:10  Unique         2.18, 2.98 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 660, 661,
 &end
#
#    0 AMB  10-2:311     46 VAL  HN          2.80    (#    311:10  Single Ambig)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 714,1109,
 &end
#
#   46 VAL  MGX          46 VAL  HN          2.80    (#    312:10  Unique         1.95, 3.32 A)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HA           46 VAL  HN          4.50    (#    313:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 313, nxpk= 10, iat= 736, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:314     64 MET  HN          4.50    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 957, 987,
 &end
#
#    0 AMB  10-2:315      0 AMB  10-1:315    3.50    (#    315:10  Double Ambig)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1190,1191,1007,1008,
 igr2=1186,1000,
 &end
#
#    0 AMB  10-2:316     64 MET  HN          3.50    (#    316:10  Single Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1004,1005,1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HN          3.50    (#    317:10  Unique         2.08, 2.83 A)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1004,1005,
 &end
#
#    0 AMB  10-2:318     64 MET  HN          3.50    (#    318:10  Single Ambig)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 989, 990, 989, 990,
 &end
#
#    0 AMB  10-2:319      0 AMB  10-1:319    4.50    (#    319:10  Double Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1002,1140,1141,
 igr2=1000,1186,
 &end
#
#   15 GLN  HN           16 GLU  HN          3.50    (#    320:10  Unique         1.90, 2.83 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 241, 258, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLU  HA           16 GLU  HN          4.50    (#    321:10  Unique         2.27, 2.64 A)
 &rst
  ixpk= 321, nxpk= 10, iat= 260, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:322     16 GLU  HN          3.50    (#    322:10  Single Ambig)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 245, 246, 245, 246, 262, 263,
 &end
#
#   16 GLU  HB-          16 GLU  HN          4.50    (#    323:10  Unique         2.78, 3.40 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 262, 263,
 &end
#
#   77 ASP  HN           76 LYS  HN          4.50    (#    324:10  Unique         1.90, 2.69 A)
 &rst
  ixpk= 324, nxpk= 10, iat=1186,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 LYS  HA           76 LYS  HN          4.50    (#    326:10  Unique         2.76, 2.86 A)
 &rst
  ixpk= 326, nxpk= 10, iat=1166,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 LEU  HB+          76 LYS  HN          4.50    (#    327:10  Unique         2.25, 3.65 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1149,1150,
 &end
#
#    0 AMB  10-2:328     76 LYS  HN          2.80    (#    328:10  Single Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1168,1169,1168,1169,
 &end
#
#   75 LEU  HB-          76 LYS  HN          5.50    (#    329:10  Unique         2.25, 3.65 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1149,1150,
 &end
#
#    0 AMB  10-2:330     76 LYS  HN          3.50    (#    330:10  Single Ambig)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1171,1172,1171,1172,
 &end
#
#   83 VAL  HN           17 HIS  HN          4.50    (#    331:10  Unique         1.89, 2.65 A)
 &rst
  ixpk= 331, nxpk= 10, iat=1280, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 HIS  HA           17 HIS  HN          4.50    (#    332:10  Unique         2.81, 2.90 A)
 &rst
  ixpk= 332, nxpk= 10, iat= 275, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HA           17 HIS  HN          2.80    (#    333:10  Unique         2.14, 2.25 A)
 &rst
  ixpk= 333, nxpk= 10, iat= 260, 273, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 GLU  HG+          17 HIS  HN          4.50    (#    334:10  Unique         2.01, 3.59 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 265, 266,
 &end
#
#    0 AMB  10-2:335     17 HIS  HN          4.50    (#    335:10  Single Ambig)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 265, 266, 262, 263,
 &end
#
#   41 ASN  HB+          41 ASN  HD2+        4.50    (#    337:10  Unique         2.12, 3.30 A)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   41 ASN  HB-          41 ASN  HD2+        3.50    (#    338:10  Unique         2.12, 3.30 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   41 ASN  HB-          41 ASN  HD2-        4.50    (#    340:10  Unique         2.12, 3.30 A)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   19 GLN  HA           20 GLY  HN          4.50    (#    342:10  Unique         2.14, 2.56 A)
 &rst
  ixpk= 342, nxpk= 10, iat= 308, 323, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 LYS  HN           31 GLU  HN          3.50    (#    343:10  Unique         2.24, 2.65 A)
 &rst
  ixpk= 343, nxpk= 10, iat= 478, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ARG  HN           31 GLU  HN          3.50    (#    344:10  Unique         2.07, 2.29 A)
 &rst
  ixpk= 344, nxpk= 10, iat= 515, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLU  HA           31 GLU  HN          3.50    (#    345:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 345, nxpk= 10, iat= 502, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:346     31 GLU  HN          4.50    (#    346:10  Single Ambig)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 507, 508, 507, 508,
 &end
#
#    0 AMB  10-2:347     31 GLU  HN          2.80    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 504, 505, 504, 505,
 &end
#
#    0 AMB  10-2:348     31 GLU  HN          3.50    (#    348:10  Single Ambig)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 482, 483, 519, 520,
 &end
#
#   12 GLN  HN           11 GLU  HN          4.50    (#    349:10  Unique         2.30, 2.62 A)
 &rst
  ixpk= 349, nxpk= 10, iat= 186, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLU  HA           11 GLU  HN          4.50    (#    350:10  Unique         2.76, 2.83 A)
 &rst
  ixpk= 350, nxpk= 10, iat= 173, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:351     11 GLU  HN          4.50    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 158, 159, 158, 159,
 &end
#
#    0 AMB  10-2:352     11 GLU  HN          4.50    (#    352:10  Single Ambig)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 178, 179, 178, 179,
 &end
#
#    0 AMB  10-2:353     11 GLU  HN          2.80    (#    353:10  Single Ambig)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 175, 176, 175, 176,
 &end
#
#   10 PRO  HB-          11 GLU  HN          4.50    (#    354:10  Unique         3.09, 3.85 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 164, 165,
 &end
#
#    9 VAL  MGX          11 GLU  HN          4.50    (#    355:10  Unique         2.14, 4.47 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   36 ALA  HN           37 VAL  HN          2.80    (#    356:10  Unique         2.25, 2.48 A)
 &rst
  ixpk= 356, nxpk= 10, iat= 582, 592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 VAL  HB           37 VAL  HN          3.50    (#    357:10  Unique         2.70, 2.87 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 596, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:358     37 VAL  HN          2.80    (#    358:10  Single Ambig)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 586, 587, 588, 549, 550,
 &end
#
#   37 VAL  MGX          37 VAL  HN          4.50    (#    359:10  Unique         2.59, 4.16 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HA           37 VAL  HN          3.50    (#    360:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 594, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 ILE  HN           32 ARG  HN          2.80    (#    361:10  Unique         2.05, 2.30 A)
 &rst
  ixpk= 361, nxpk= 10, iat= 539, 515, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 GLU  HN           32 ARG  HN          3.50    (#    362:10  Unique         2.07, 2.29 A)
 &rst
  ixpk= 362, nxpk= 10, iat= 500, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ARG  HA           32 ARG  HN          3.50    (#    363:10  Unique         2.75, 2.91 A)
 &rst
  ixpk= 363, nxpk= 10, iat= 517, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:364     32 ARG  HN          3.50    (#    364:10  Single Ambig)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 504, 505, 504, 505,
 &end
#
#    0 AMB  10-2:365     32 ARG  HN          3.50    (#    365:10  Single Ambig)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 519, 520, 522, 523,
 &end
#
#   32 ARG  HB-          32 ARG  HN          2.80    (#    366:10  Unique         2.09, 2.73 A)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 519, 520,
 &end
#
#    0 AMB  10-2:367     27 LYS  HN          2.80    (#    367:10  Single Ambig)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 410, 411, 429, 430,
 &end
#
#    0 AMB  10-2:368     27 LYS  HN          3.50    (#    368:10  Single Ambig)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 410, 411, 432, 433, 432, 433,
 &end
#
#   68 HIS  HN           67 THR  HN          3.50    (#    369:10  Unique         1.93, 2.57 A)
 &rst
  ixpk= 369, nxpk= 10, iat=1059,1045, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HA           67 THR  HN          2.80    (#    371:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 371, nxpk= 10, iat=1026,1045, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:372     67 THR  HN          3.50    (#    372:10  Single Ambig)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1047,1049,
 &end
#
#   67 THR  MG2          67 THR  HN          3.50    (#    373:10  Unique         2.27, 3.43 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1051,1052,1053,
 &end
#
#   27 LYS  HA           27 LYS  HN          3.50    (#    374:10  Unique         2.69, 2.82 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 427, 425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 SER  HN           55 GLY  HN          4.50    (#    379:10  Unique         2.71, 2.81 A)
 &rst
  ixpk= 379, nxpk= 10, iat= 854, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 GLY  HA+          55 GLY  HN          2.80    (#    380:10  Unique         2.29, 2.55 A)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 867, 868,
 &end
#
#    0 AMB  10-2:381     55 GLY  HN          3.50    (#    381:10  Single Ambig)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 867, 868, 858, 859,
 &end
#
#   56 GLN  HG+          56 GLN  HE2+        4.50    (#    382:10  Unique         2.13, 3.32 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 879, 880,
 igr2= 884, 885,
 &end
#
#    0 AMB  10-2:383      0 AMB  10-1:383    4.50    (#    383:10  Double Ambig)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 876, 877, 879, 880,
 igr2= 884, 885, 884, 885,
 &end
#
#    8 ARG  HA            9 VAL  HN          3.50    (#    385:10  Unique         2.24, 2.31 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 119, 141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 ARG  HB+           9 VAL  HN          4.50    (#    386:10  Unique         2.43, 3.56 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#    8 ARG  HB-           9 VAL  HN          4.50    (#    387:10  Unique         2.43, 3.56 A)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#    9 VAL  MGY           9 VAL  HN          3.50    (#    388:10  Unique         1.95, 3.03 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  10-2:389      0 AMB  10-1:389    2.80    (#    389:10  Double Ambig)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 147, 148, 149, 151, 152, 153, 946, 947,
 igr2= 141, 884, 885,
 &end
#
#   71 ASN  HB-          71 ASN  HD2+        4.50    (#    390:10  Unique         2.52, 3.49 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   71 ASN  HB+          71 ASN  HD2+        4.50    (#    391:10  Unique         2.52, 3.49 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   12 GLN  HG-          12 GLN  HE2+        5.50    (#    393:10  Unique         2.13, 3.27 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 193, 194,
 igr2= 198, 199,
 &end
#
#   74 GLY  HA+          74 GLY  HN          4.50    (#    395:10  Unique         2.29, 2.67 A)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1140,1141,
 &end
#
#   73 GLY  HA+          74 GLY  HN          2.80    (#    396:10  Unique         2.14, 2.72 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1133,1134,
 &end
#
#   74 GLY  HA-          74 GLY  HN          2.80    (#    397:10  Unique         2.29, 2.67 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1140,1141,
 &end
#
#   35 THR  HA           35 THR  HN          3.50    (#    398:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 570, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:399     35 THR  HN          4.50    (#    399:10  Single Ambig)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 574, 575, 576, 549, 550,
 &end
#
#   34 ALA  HN           35 THR  HN          3.50    (#    400:10  Unique         2.44, 2.63 A)
 &rst
  ixpk= 400, nxpk= 10, iat= 558, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 THR  HB           35 THR  HN          3.50    (#    401:10  Unique         2.59, 2.84 A)
 &rst
  ixpk= 401, nxpk= 10, iat= 572, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  MB           35 THR  HN          3.50    (#    402:10  Unique         2.74, 3.67 A)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 562, 563, 564,
 &end
#
#   23 ASN  HA           23 ASN  HD2+        4.50    (#    404:10  Unique         1.98, 2.91 A)
 &rst
  ixpk= 404, nxpk= 10, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 368, 369,
 &end
#
#   23 ASN  HA           23 ASN  HD2-        3.50    (#    405:10  Unique         1.98, 2.91 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 368, 369,
 &end
#
#   24 ILE  HN           23 ASN  HD2-        4.50    (#    406:10  Unique         3.03, 3.95 A)
 &rst
  ixpk= 406, nxpk= 10, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 368, 369,
 &end
#
#   79 ALA  HA           79 ALA  HN          4.50    (#    408:10  Unique         2.27, 2.72 A)
 &rst
  ixpk= 408, nxpk= 10, iat=1219,1217, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ILE  HA           79 ALA  HN          3.50    (#    409:10  Unique         2.14, 2.57 A)
 &rst
  ixpk= 409, nxpk= 10, iat=1200,1217, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 ALA  MB           79 ALA  HN          3.50    (#    410:10  Unique         2.33, 3.16 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,1217, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1221,1222,1223,
 &end
#
#   78 ILE  QG2          79 ALA  HN          5.50    (#    411:10  Unique         2.43, 3.81 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,1217, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1204,1205,1206,
 &end
#
#   72 ALA  HN           73 GLY  HN          4.50    (#    412:10  Unique         2.10, 2.56 A)
 &rst
  ixpk= 412, nxpk= 10, iat=1121,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 GLY  HA+          73 GLY  HN          3.50    (#    413:10  Unique         2.29, 2.68 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1133,1134,
 &end
#
#   73 GLY  HA-          73 GLY  HN          3.50    (#    414:10  Unique         2.29, 2.68 A)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1133,1134,
 &end
#
#   66 TYR  HN           65 GLY  HN          3.50    (#    415:10  Unique         1.90, 2.08 A)
 &rst
  ixpk= 415, nxpk= 10, iat=1024,1017, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 GLY  HA-          65 GLY  HN          3.50    (#    416:10  Unique         2.53, 2.77 A)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1019,1020,
 &end
#
#   65 GLY  HA+          65 GLY  HN          3.50    (#    417:10  Unique         2.53, 2.77 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1019,1020,
 &end
#
#    0 AMB  10-2:418     19 GLN  HN          5.50    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1238,1239,1240,1251,1252,
 &end
#
#    0 AMB  10-2:419     19 GLN  HN          5.50    (#    419:10  Single Ambig)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1231,1232,1265,1266,
 &end
#
#   83 VAL  MGX          19 GLN  HN          5.50    (#    420:10  Unique         2.74, 5.67 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   46 VAL  HN           72 ALA  HN          4.50    (#    421:10  Unique         2.00, 3.12 A)
 &rst
  ixpk= 421, nxpk= 10, iat= 734,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HA           72 ALA  HN          5.50    (#    422:10  Unique         3.51, 4.02 A)
 &rst
  ixpk= 422, nxpk= 10, iat= 752,1121, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  MGX          72 ALA  HN          4.50    (#    423:10  Unique         2.04, 4.87 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1,1121, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  10-2:424     72 ALA  HN          5.50    (#    424:10  Single Ambig)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1,1121, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1096,1097, 738,
 &end
#
#    0 AMB  10-2:425      4 TRP  HE1         5.50    (#    425:10  Single Ambig)
 &rst
  ixpk= 425, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  18,  19,  18,  19,
 &end
#
#   45 LYS  HD-           4 TRP  HE1         4.50    (#    426:10  Unique         2.91, 4.63 A)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 722, 723,
 &end
#
#    0 AMB  10-2:427      4 TRP  HE1         5.50    (#    427:10  Single Ambig)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 &end
#
#   70 GLU  HN           44 VAL  HN          5.50    (#    428:10  Unique         2.68, 3.61 A)
 &rst
  ixpk= 428, nxpk= 10, iat=1092, 696, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 HIS  HB+          44 VAL  HN          5.50    (#    429:10  Unique         3.38, 4.67 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#   68 HIS  HB-          44 VAL  HN          5.50    (#    430:10  Unique         3.38, 4.67 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#   44 VAL  MGX          44 VAL  HN          5.50    (#    431:10  Unique         1.96, 3.92 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   45 LYS  HB-          45 LYS  HN          4.50    (#    432:10  Unique         2.10, 2.96 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 716, 717,
 &end
#
#    0 AMB  10-2:433     45 LYS  HN          5.50    (#    433:10  Single Ambig)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 700,1096,1097,
 &end
#
#    3 HIS  HB-          45 LYS  HN          5.50    (#    434:10  Unique         3.50, 4.56 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  33,  34,
 &end
#
#    4 TRP  HA           45 LYS  HN          4.50    (#    435:10  Unique         3.21, 3.48 A)
 &rst
  ixpk= 435, nxpk= 10, iat=  48, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:436     45 LYS  HN          4.50    (#    436:10  Single Ambig)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  29, 734,
 &end
#
#    5 ILE  HN           45 LYS  HN          5.50    (#    437:10  Unique         3.37, 3.94 A)
 &rst
  ixpk= 437, nxpk= 10, iat=  70, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ILE  HN            6 ASP  HN          5.50    (#    438:10  Unique         2.79, 3.54 A)
 &rst
  ixpk= 438, nxpk= 10, iat= 340,  89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  HN            6 ASP  HN          5.50    (#    439:10  Unique         3.12, 3.56 A)
 &rst
  ixpk= 439, nxpk= 10, iat= 373,  89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 ASP  HA            6 ASP  HN          5.50    (#    440:10  Unique         2.80, 2.89 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  91,  89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:441      6 ASP  HN          4.50    (#    441:10  Single Ambig)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 334, 335, 336, 344,  74,
 &end
#
#   44 VAL  HN           70 GLU  HN          5.50    (#    442:10  Unique         2.68, 3.61 A)
 &rst
  ixpk= 442, nxpk= 10, iat= 696,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  HN           70 GLU  HN          5.50    (#    443:10  Unique         3.97, 4.74 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 734,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 VAL  HN           70 GLU  HN          5.50    (#    444:10  Unique         4.16, 4.46 A)
 &rst
  ixpk= 444, nxpk= 10, iat=1076,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   70 GLU  HA           70 GLU  HN          4.50    (#    445:10  Unique         2.83, 2.91 A)
 &rst
  ixpk= 445, nxpk= 10, iat=1094,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:446     70 GLU  HN          4.50    (#    446:10  Single Ambig)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1099,1100,1099,1100,
 &end
#
#   44 VAL  MGX          70 GLU  HN          5.50    (#    447:10  Unique         2.55, 5.95 A)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  10-2:448     70 GLU  HN          5.50    (#    448:10  Single Ambig)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 964, 965, 966, 968, 969, 970, 719, 720, 716, 717,
      
 &end
#
#   69 VAL  HN           68 HIS  HN          4.50    (#    449:10  Unique         2.29, 3.00 A)
 &rst
  ixpk= 449, nxpk= 10, iat=1076,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:450     68 HIS  HN          4.50    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1026, 976,
 &end
#
#   67 THR  HA           68 HIS  HN          4.50    (#    451:10  Unique         2.72, 2.98 A)
 &rst
  ixpk= 451, nxpk= 10, iat=1047,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 HIS  HB+          68 HIS  HN          4.50    (#    452:10  Unique         2.53, 3.32 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#   66 TYR  HB+          68 HIS  HN          5.50    (#    453:10  Unique         2.57, 3.40 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1028,1029,
 &end
#
#   67 THR  MG2          68 HIS  HN          5.50    (#    454:10  Unique         4.39, 5.21 A)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1051,1052,1053,
 &end
#
#    6 ASP  HN           24 ILE  HN          5.50    (#    455:10  Unique         3.12, 3.56 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  89, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 ASN  HN           24 ILE  HN          5.50    (#    456:10  Unique         2.86, 3.72 A)
 &rst
  ixpk= 456, nxpk= 10, iat= 359, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HA           24 ILE  HN          5.50    (#    457:10  Unique         4.41, 4.65 A)
 &rst
  ixpk= 457, nxpk= 10, iat= 103, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  HA           24 ILE  HN          4.50    (#    458:10  Unique         2.86, 2.90 A)
 &rst
  ixpk= 458, nxpk= 10, iat= 375, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 ASP  HB+          24 ILE  HN          5.50    (#    459:10  Unique         2.45, 3.90 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  93,  94,
 &end
#
#   24 ILE  HG1-         24 ILE  HN          5.50    (#    460:10  Unique         2.38, 2.96 A)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 383, 384,
 &end
#
#   24 ILE  HG1+         24 ILE  HN          4.50    (#    461:10  Unique         2.38, 2.96 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 383, 384,
 &end
#
#    4 TRP  HD1           4 TRP  HN          4.50    (#    462:10  Unique         2.58, 3.20 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  54,  46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 ALA  HA            4 TRP  HN          4.50    (#    463:10  Unique         3.18, 3.88 A)
 &rst
  ixpk= 463, nxpk= 10, iat= 332,  46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 HIS  HB-           4 TRP  HN          5.50    (#    464:10  Unique         2.45, 3.23 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1,  46, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  33,  34,
 &end
#
#    0 AMB  10-2:465      4 TRP  HN          5.50    (#    465:10  Single Ambig)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,  46, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 334, 335, 336, 344,  74,  18,  19,
 &end
#
#    0 AMB  10-2:466      4 TRP  HN          5.50    (#    466:10  Single Ambig)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,  46, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=  83,  84,  85, 716, 717,
 &end
#
#   83 VAL  MGY          84 LYS  HN          4.50    (#    468:10  Unique         2.10, 4.35 A)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  MGX          84 LYS  HN          4.50    (#    469:10  Unique         2.10, 4.35 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   24 ILE  HN           23 ASN  HN          5.50    (#    470:10  Unique         2.86, 3.72 A)
 &rst
  ixpk= 470, nxpk= 10, iat= 373, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 ASN  HD2-         23 ASN  HN          5.50    (#    471:10  Unique         4.20, 5.13 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 368, 369,
 &end
#
#    0 AMB  10-2:472     23 ASN  HN          5.50    (#    472:10  Single Ambig)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 350, 351, 377,
 &end
#
#    0 AMB  10-2:473     23 ASN  HN          5.50    (#    473:10  Single Ambig)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  83,  84,  85,  76,  77,  78, 379, 380, 381,
 &end
#
#   54 SER  HN           53 GLN  HN          4.50    (#    474:10  Unique         2.19, 2.45 A)
 &rst
  ixpk= 474, nxpk= 10, iat= 854, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:475     53 GLN  HN          4.50    (#    475:10  Single Ambig)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 839, 815,
 &end
#
#   53 GLN  HG+          53 GLN  HN          4.50    (#    476:10  Unique         2.03, 4.03 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 844, 845,
 &end
#
#   53 GLN  HB+          53 GLN  HN          4.50    (#    477:10  Unique         2.11, 2.75 A)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 841, 842,
 &end
#
#   53 GLN  HG-          53 GLN  HN          5.50    (#    478:10  Unique         2.03, 4.03 A)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 844, 845,
 &end
#
#    0 AMB  10-2:479     53 GLN  HN          4.50    (#    479:10  Single Ambig)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 817, 818, 817, 818,
 &end
#
#   34 ALA  HN           36 ALA  HN          5.50    (#    480:10  Unique         3.79, 3.95 A)
 &rst
  ixpk= 480, nxpk= 10, iat= 558, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:481     36 ALA  HN          4.50    (#    481:10  Single Ambig)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 570, 594,
 &end
#
#   33 ILE  HA           36 ALA  HN          4.50    (#    482:10  Unique         2.82, 3.04 A)
 &rst
  ixpk= 482, nxpk= 10, iat= 541, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:483     36 ALA  HN          5.50    (#    483:10  Single Ambig)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 522, 523, 519, 520, 596,
 &end
#
#    0 AMB  10-2:484     36 ALA  HN          5.50    (#    484:10  Single Ambig)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 386, 387, 388,  83,  84,  85, 379, 380, 381,
 &end
#
#   37 VAL  MGX          36 ALA  HN          5.50    (#    485:10  Unique         4.28, 6.29 A)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#    4 TRP  HE3           5 ILE  HN          5.50    (#    486:10  Unique         2.75, 3.47 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  65,  70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HN            5 ILE  HN          5.50    (#    487:10  Unique         3.91, 4.31 A)
 &rst
  ixpk= 487, nxpk= 10, iat= 750,  70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 LYS  HN            5 ILE  HN          5.50    (#    488:10  Unique         3.37, 3.94 A)
 &rst
  ixpk= 488, nxpk= 10, iat= 712,  70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 TRP  HB+           5 ILE  HN          4.50    (#    489:10  Unique         3.01, 3.88 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,
 &end
#
#    0 AMB  10-2:490      5 ILE  HN          5.50    (#    490:10  Single Ambig)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
       112, 113,
 &end
#
#   39 ASP  HB-          40 LYS  HN          5.50    (#    491:10  Unique         2.78, 3.61 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 626, 627,
 &end
#
#    0 AMB  10-2:492     40 LYS  HN          5.50    (#    492:10  Single Ambig)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 647, 648, 647, 648,
 &end
#
#   39 ASP  HB+          40 LYS  HN          5.50    (#    493:10  Unique         2.78, 3.61 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 626, 627,
 &end
#
#    0 AMB  10-2:494     63 GLU  HN          5.50    (#    494:10  Single Ambig)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 942, 943, 944,
 &end
#
#   60 ILE  HA           63 GLU  HN          5.50    (#    495:10  Unique         3.45, 3.82 A)
 &rst
  ixpk= 495, nxpk= 10, iat= 938, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 SER  HA           63 GLU  HN          5.50    (#    496:10  Unique         3.52, 3.56 A)
 &rst
  ixpk= 496, nxpk= 10, iat= 976, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LEU  HN           63 GLU  HN          5.50    (#    497:10  Unique         4.18, 4.46 A)
 &rst
  ixpk= 497, nxpk= 10, iat= 955, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HD           75 LEU  HN          5.50    (#    499:10  Unique         2.85, 6.30 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 758, 767,
 &end
#
#   75 LEU  MDX          75 LEU  HN          5.50    (#    500:10  Unique         2.62, 4.86 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  MDY          75 LEU  HN          5.50    (#    501:10  Unique         2.62, 4.86 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1154,1155,1156,1158,1159,1160,
 &end
#
#   78 ILE  QD1          75 LEU  HN          5.50    (#    502:10  Unique         3.26, 5.55 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#   75 LEU  HB-          75 LEU  HN          3.50    (#    503:10  Unique         2.04, 2.83 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#    7 VAL  MGX          26 LEU  HN          5.50    (#    504:10  Unique         3.50, 5.28 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  10-2:505     26 LEU  HN          4.50    (#    505:10  Single Ambig)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
       112, 113, 383, 384,
 &end
#
#    0 AMB  10-2:506     26 LEU  HN          4.50    (#    506:10  Single Ambig)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
       420, 421,
 &end
#
#    0 AMB  10-2:507     26 LEU  HN          5.50    (#    507:10  Single Ambig)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421, 147, 148, 149, 151,
       152, 153,
 &end
#
#   25 PRO  HB-          26 LEU  HN          4.50    (#    508:10  Unique         2.34, 3.70 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 399, 400,
 &end
#
#   25 PRO  HB+          26 LEU  HN          5.50    (#    509:10  Unique         2.34, 3.70 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 399, 400,
 &end
#
#   27 LYS  HN           26 LEU  HN          4.50    (#    510:10  Unique         2.56, 3.07 A)
 &rst
  ixpk= 510, nxpk= 10, iat= 425, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:514     34 ALA  HN          5.50    (#    514:10  Single Ambig)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 552, 553, 554, 386, 387, 388, 379, 380, 381,
 &end
#
#    0 AMB  10-2:515     34 ALA  HN          5.50    (#    515:10  Single Ambig)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 543, 519, 520, 522, 523,
 &end
#
#   64 MET  ME           34 ALA  HN          5.50    (#    516:10  Unique         3.26, 4.68 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1011,1012,1013,
 &end
#
#   32 ARG  HA           34 ALA  HN          5.50    (#    517:10  Unique         3.78, 3.91 A)
 &rst
  ixpk= 517, nxpk= 10, iat= 517, 558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:520     78 ILE  HN          5.50    (#    520:10  Single Ambig)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1190,1191,1271,1272,
 &end
#
#    0 AMB  10-2:521     78 ILE  HN          4.50    (#    521:10  Single Ambig)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1190,1191,1271,1272,
 &end
#
#   78 ILE  QD1          78 ILE  HN          4.50    (#    522:10  Unique         3.57, 4.47 A)
 &rst
  ixpk= 522, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1211,1212,1213,
 &end
#
#    7 VAL  MGX           8 ARG  HN          5.50    (#    527:10  Unique         2.20, 4.16 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    8 ARG  HB+           8 ARG  HN          4.50    (#    528:10  Unique         2.06, 2.79 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#    7 VAL  MGY           8 ARG  HN          5.50    (#    529:10  Unique         2.20, 4.16 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  10-2:530      8 ARG  HN          5.50    (#    530:10  Single Ambig)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  91, 402,
 &end
#
#    8 ARG  HA            8 ARG  HN          4.50    (#    531:10  Unique         2.75, 2.78 A)
 &rst
  ixpk= 531, nxpk= 10, iat= 119, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HA            8 ARG  HN          4.50    (#    533:10  Unique         2.60, 3.37 A)
 &rst
  ixpk= 533, nxpk= 10, iat= 103, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:534      8 ARG  HN          5.50    (#    534:10  Single Ambig)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 130,  89,
 &end
#
#    0 AMB  10-2:535     21 ALA  HN          4.50    (#    535:10  Single Ambig)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 &end
#
#    0 AMB  10-2:536      0 AMB  10-1:536    5.50    (#    536:10  Double Ambig)
 &rst
  ixpk= 536, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 294, 413,
 igr2= 330, 889,
 &end
#
#    4 TRP  HB+          21 ALA  HN          5.50    (#    537:10  Unique         3.13, 4.69 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#   20 GLY  HA-          21 ALA  HN          4.50    (#    538:10  Unique         2.14, 2.98 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 325, 326,
 &end
#
#    0 AMB  10-2:539      0 AMB  10-1:539    4.50    (#    539:10  Double Ambig)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 891, 308,
 igr2= 889, 330,
 &end
#
#   20 GLY  HA+          21 ALA  HN          4.50    (#    540:10  Unique         2.14, 2.98 A)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 325, 326,
 &end
#
#    0 AMB  10-2:542      3 HIS  HN          4.50    (#    542:10  Single Ambig)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 686,   6,
 &end
#
#    0 AMB  10-2:543      0 AMB  10-1:543    4.50    (#    543:10  Double Ambig)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  33,  34,1271,1272,
 igr2=  29,1258,
 &end
#
#   82 LYS  HG-          82 LYS  HN          4.50    (#    544:10  Unique         2.14, 3.71 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1265,1266,
 &end
#
#    0 AMB  10-2:545      3 HIS  HN          5.50    (#    545:10  Single Ambig)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 719, 720, 702, 703, 704, 706, 707, 708,
 &end
#
#   55 GLY  HN           56 GLN  HN          4.50    (#    546:10  Unique         2.53, 2.69 A)
 &rst
  ixpk= 546, nxpk= 10, iat= 865, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:547     56 GLN  HN          5.50    (#    547:10  Single Ambig)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421, 740, 741, 742, 744,
       745, 746,
 &end
#
#   57 ALA  MB           56 GLN  HN          4.50    (#    548:10  Unique         4.21, 5.20 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 893, 894, 895,
 &end
#
#   22 ILE  HA           22 ILE  HN          4.50    (#    550:10  Unique         2.85, 2.93 A)
 &rst
  ixpk= 550, nxpk= 10, iat= 342, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HB-          22 ILE  HN          5.50    (#    551:10  Unique         3.86, 4.64 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#   22 ILE  HG1-         22 ILE  HN          4.50    (#    552:10  Unique         1.94, 3.02 A)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351,
 &end
#
#   22 ILE  QG2          22 ILE  HN          4.50    (#    553:10  Unique         4.40, 4.65 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 346, 347, 348,
 &end
#
#    5 ILE  QD1          22 ILE  HN          4.50    (#    554:10  Unique         2.55, 4.25 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  83,  84,  85,
 &end
#
#    0 AMB  10-2:556      0 AMB  10-1:556    5.50    (#    556:10  Double Ambig)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 874, 502,
 igr2= 889, 539,
 &end
#
#    0 AMB  10-2:557     57 ALA  HN          5.50    (#    557:10  Single Ambig)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 879, 880, 841, 842,
 &end
#
#   26 LEU  MDX          57 ALA  HN          5.50    (#    558:10  Unique         2.32, 4.71 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  10-2:559      0 AMB  10-1:559    5.50    (#    559:10  Double Ambig)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 107, 108, 109, 111, 112, 113, 549, 550,
 igr2= 889, 539,
 &end
#
#    0 AMB  10-2:560     42 ASP  HN          5.50    (#    560:10  Single Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 665, 666, 634,
 &end
#
#    0 AMB  10-2:561     42 ASP  HN          5.50    (#    561:10  Single Ambig)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 682, 622,
 &end
#
#   40 LYS  HA           42 ASP  HN          5.50    (#    565:10  Unique         3.42, 4.17 A)
 &rst
  ixpk= 565, nxpk= 10, iat= 636, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   39 ASP  HB-          42 ASP  HN          5.50    (#    566:10  Unique         2.04, 3.49 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 626, 627,
 &end
#
#   32 ARG  HA           33 ILE  HN          4.50    (#    567:10  Unique         3.52, 3.54 A)
 &rst
  ixpk= 567, nxpk= 10, iat= 517, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HA           33 ILE  HN          4.50    (#    568:10  Unique         2.29, 2.79 A)
 &rst
  ixpk= 568, nxpk= 10, iat= 464, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:569      0 AMB  10-1:569    5.50    (#    569:10  Double Ambig)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 105,1011,1012,1013, 507, 508,
 igr2= 889, 539,
 &end
#
#    0 AMB  10-2:570     33 ILE  HN          5.50    (#    570:10  Single Ambig)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 586, 587, 588, 549, 550,
 &end
#
#   57 ALA  MB           57 ALA  HN          5.50    (#    571:10  Unique         2.13, 2.89 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 893, 894, 895,
 &end
#
#    0 AMB  10-2:572      0 AMB  10-1:572    4.50    (#    572:10  Double Ambig)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
       112, 113,
 igr2= 539, 889,
 &end
#
#    0 AMB  10-2:573     69 VAL  HN          5.50    (#    573:10  Single Ambig)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1,1076, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1063,1064, 912, 913, 912, 913,
 &end
#
#   68 HIS  HB+          69 VAL  HN          5.50    (#    574:10  Unique         3.69, 4.36 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,1076, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#   70 GLU  HN           69 VAL  HN          5.50    (#    576:10  Unique         4.16, 4.46 A)
 &rst
  ixpk= 576, nxpk= 10, iat=1092,1076, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 HIS  HN           69 VAL  HN          4.50    (#    577:10  Unique         2.29, 3.00 A)
 &rst
  ixpk= 577, nxpk= 10, iat=1059,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HE           18 VAL  HN          5.50    (#    579:10  Unique         2.53, 3.88 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 760, 765,
 &end
#
#   18 VAL  HA           18 VAL  HN          4.50    (#    580:10  Unique         2.78, 2.85 A)
 &rst
  ixpk= 580, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 HIS  HB-          18 VAL  HN          4.50    (#    581:10  Unique         1.95, 3.10 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 277, 278,
 &end
#
#   75 LEU  MDY          18 VAL  HN          5.50    (#    582:10  Unique         2.72, 5.11 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  10-2:583     18 VAL  HN          5.50    (#    583:10  Single Ambig)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1154,1155,1156,1158,1159,1160,1265,1266,
 &end
#
#    0 AMB  10-2:584     29 VAL  HN          5.50    (#    584:10  Single Ambig)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 432, 433, 432, 433,
 &end
#
#    0 AMB  10-2:585     29 VAL  HN          5.50    (#    585:10  Single Ambig)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 519, 520, 413,
 &end
#
#   26 LEU  HA           29 VAL  HN          4.50    (#    586:10  Unique         3.07, 3.39 A)
 &rst
  ixpk= 586, nxpk= 10, iat= 408, 462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:587     29 VAL  HN          5.50    (#    587:10  Single Ambig)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 375, 427,
 &end
#
#   53 GLN  HN           54 SER  HN          4.50    (#    588:10  Unique         2.19, 2.45 A)
 &rst
  ixpk= 588, nxpk= 10, iat= 837, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 GLY  HN           54 SER  HN          5.50    (#    589:10  Unique         2.71, 2.81 A)
 &rst
  ixpk= 589, nxpk= 10, iat= 865, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:591     54 SER  HN          4.50    (#    591:10  Single Ambig)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 858, 859, 856,
 &end
#
#   54 SER  HB-          54 SER  HN          5.50    (#    592:10  Unique         2.10, 2.91 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 858, 859,
 &end
#
#   53 GLN  HB+          54 SER  HN          5.50    (#    593:10  Unique         2.16, 3.28 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 841, 842,
 &end
#
#    7 VAL  MGX          54 SER  HN          5.50    (#    594:10  Unique         2.97, 5.80 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  10-2:595     71 ASN  HN          5.50    (#    595:10  Single Ambig)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1099,1100,1099,1100,
 &end
#
#   70 GLU  HB+          71 ASN  HN          4.50    (#    596:10  Unique         2.90, 3.77 A)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1096,1097,
 &end
#
#    0 AMB  10-2:597     71 ASN  HN          4.50    (#    597:10  Single Ambig)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 909, 910,1096,1097,
 &end
#
#   58 LYS  HD-          71 ASN  HN          4.50    (#    598:10  Unique         2.43, 3.88 A)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 909, 910,
 &end
#
#    0 AMB  10-2:599     71 ASN  HN          5.50    (#    599:10  Single Ambig)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 740, 741, 742, 744, 745, 746,
 &end
#
#    9 VAL  MGX          13 TYR  HN          5.50    (#    600:10  Unique         3.30, 5.89 A)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HA           13 TYR  HN          5.50    (#    601:10  Unique         3.38, 3.43 A)
 &rst
  ixpk= 601, nxpk= 10, iat= 188, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   10 PRO  HA           13 TYR  HN          5.50    (#    602:10  Unique         2.97, 3.27 A)
 &rst
  ixpk= 602, nxpk= 10, iat= 167, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 TYR  HE           66 TYR  HN          5.50    (#    603:10  Unique         4.15, 5.29 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1034,1039,
 &end
#
#   65 GLY  HA+          66 TYR  HN          5.50    (#    604:10  Unique         2.68, 3.24 A)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1019,1020,
 &end
#
#    0 AMB  10-2:605     66 TYR  HN          5.50    (#    605:10  Single Ambig)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 978, 979, 978, 979, 957,1047,
 &end
#
#   65 GLY  HA-          66 TYR  HN          4.50    (#    606:10  Unique         2.68, 3.24 A)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1019,1020,
 &end
#
#    0 AMB  10-2:607     66 TYR  HN          5.50    (#    607:10  Single Ambig)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 638, 639, 959, 960,
 &end
#
#    0 AMB  10-2:608     66 TYR  HN          5.50    (#    608:10  Single Ambig)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   61 LEU  MDY          60 ILE  HN          5.50    (#    609:10  Unique         4.68, 6.72 A)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  10-2:610     60 ILE  HN          5.50    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 893, 894, 895, 909, 910,
 &end
#
#    0 AMB  10-2:611     60 ILE  HN          4.50    (#    611:10  Single Ambig)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 923, 957,
 &end
#
#   79 ALA  HN           80 MET  HN          5.50    (#    612:10  Unique         2.68, 3.28 A)
 &rst
  ixpk= 612, nxpk= 10, iat=1217,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   81 PRO  HD+          80 MET  HN          5.50    (#    613:10  Unique         4.77, 4.88 A)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1245,1246,
 &end
#
#   82 LYS  HE-          80 MET  HN          5.50    (#    614:10  Unique         3.06, 4.17 A)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   80 MET  HG-          80 MET  HN          4.50    (#    615:10  Unique         3.68, 4.07 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1234,1235,
 &end
#
#   18 VAL  MGY          80 MET  HN          5.50    (#    616:10  Unique         4.91, 6.81 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  10-2:620     59 GLU  HN          5.50    (#    620:10  Single Ambig)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
 igr1= 949, 950, 951,1082,1083,1084,1086,1087,1088,1082,
      1083,1084,1086,1087,1088, 415, 416, 417, 419, 420,
       421,
 &end
#
#   58 LYS  HG+          59 GLU  HN          5.50    (#    621:10  Unique         3.61, 4.53 A)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 906, 907,
 &end
#
#    0 AMB  10-2:622     59 GLU  HN          5.50    (#    622:10  Single Ambig)
 &rst
  ixpk= 622, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 906, 907, 959, 960,
 &end
#
#    0 AMB  10-2:623     59 GLU  HN          4.50    (#    623:10  Single Ambig)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 946, 947, 940, 959, 960,
 &end
#
#    0 AMB  10-2:624     59 GLU  HN          4.50    (#    624:10  Single Ambig)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 901, 891,
 &end
#
#   56 GLN  HA           59 GLU  HN          4.50    (#    625:10  Unique         3.42, 3.66 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 874, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:626      2 GLU  HN          5.50    (#    626:10  Single Ambig)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1,  14, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  21,  22,  21,  22,
 &end
#
#   18 VAL  HA           83 VAL  HN          5.50    (#    627:10  Unique         3.08, 3.81 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 292,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 VAL  MGY          83 VAL  HN          4.50    (#    628:10  Unique         1.95, 4.05 A)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   82 LYS  HG-          83 VAL  HN          5.50    (#    629:10  Unique         2.82, 4.19 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1265,1266,
 &end
#
#   16 GLU  HG+          83 VAL  HN          5.50    (#    630:10  Unique         2.65, 4.20 A)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 265, 266,
 &end
#
#    0 AMB  10-2:631     61 LEU  HN          5.50    (#    631:10  Single Ambig)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
 igr1=1011,1012,1013, 925, 926, 925, 926, 989, 990, 989,
       990,
 &end
#
#   60 ILE  HA           61 LEU  HN          4.50    (#    632:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 632, nxpk= 10, iat= 938, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:633     61 LEU  HN          4.50    (#    633:10  Single Ambig)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 891, 901,
 &end
#
#   47 TYR  HB-          47 TYR  HN          5.50    (#    635:10  Unique         2.87, 3.44 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 754, 755,
 &end
#
#   47 TYR  HD           47 TYR  HN          5.50    (#    636:10  Unique         1.95, 3.54 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 758, 767,
 &end
#
#    0 AMB  10-2:637     47 TYR  HN          5.50    (#    637:10  Single Ambig)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  70,1121,
 &end
#
#    7 VAL  HN           47 TYR  HN          5.50    (#    638:10  Unique         2.53, 3.27 A)
 &rst
  ixpk= 638, nxpk= 10, iat= 101, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   12 GLN  HN           14 GLN  HN          5.50    (#    639:10  Unique         3.93, 4.32 A)
 &rst
  ixpk= 639, nxpk= 10, iat= 186, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:640     14 GLN  HN          4.50    (#    640:10  Single Ambig)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 211, 220, 236, 237,
 &end
#
#   10 PRO  HA           14 GLN  HN          5.50    (#    641:10  Unique         3.94, 4.74 A)
 &rst
  ixpk= 641, nxpk= 10, iat= 167, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:642     14 GLN  HN          4.50    (#    642:10  Single Ambig)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 205, 173,
 &end
#
#   13 TYR  HB-          14 GLN  HN          4.50    (#    643:10  Unique         2.18, 3.41 A)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#   37 VAL  HA           39 ASP  HN          4.50    (#    644:10  Unique         3.09, 3.16 A)
 &rst
  ixpk= 644, nxpk= 10, iat= 594, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 PRO  HA           39 ASP  HN          5.50    (#    645:10  Unique         3.39, 3.44 A)
 &rst
  ixpk= 645, nxpk= 10, iat= 618, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 ASN  HB+          49 ASN  HD2+        5.50    (#    646:10  Unique         2.11, 3.25 A)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 786, 787,
 igr2= 791, 792,
 &end
#
#   49 ASN  HB-          49 ASN  HD2-        5.50    (#    647:10  Unique         2.11, 3.25 A)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 786, 787,
 igr2= 791, 792,
 &end
#
#    0 AMB  10-2:648     49 ASN  HD2-        4.50    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 127, 128, 786, 787,
 igr2= 791, 792,
 &end
#
#    8 ARG  HD+          49 ASN  HD2-        4.50    (#    649:10  Unique         2.09, 5.42 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 127, 128,
 igr2= 791, 792,
 &end
#
#    0 AMB  10-2:651     30 LYS  HN          5.50    (#    651:10  Single Ambig)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 485, 486, 410, 411,
 &end
#
#   29 VAL  HA           30 LYS  HN          5.50    (#    652:10  Unique         3.34, 3.45 A)
 &rst
  ixpk= 652, nxpk= 10, iat= 464, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:655     48 CYS  HN          5.50    (#    655:10  Single Ambig)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1154,1155,1156,1158,1159,1160, 107, 108, 109, 111,
       112, 113,
 &end
#
#    0 AMB  10-2:656     48 CYS  HN          5.50    (#    656:10  Single Ambig)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1152,1125,1126,1127,
 &end
#
#    0 AMB  10-2:657     48 CYS  HN          5.50    (#    657:10  Single Ambig)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 124, 125, 738,
 &end
#
#   48 CYS  HB-          48 CYS  HN          5.50    (#    658:10  Unique         2.51, 3.54 A)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 775, 776,
 &end
#
#   54 SER  HB-          48 CYS  HN          4.50    (#    659:10  Unique         3.13, 4.09 A)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#   54 SER  HB+          48 CYS  HN          4.50    (#    660:10  Unique         3.13, 4.09 A)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#   74 GLY  HA+          48 CYS  HN          4.50    (#    661:10  Unique         1.95, 3.88 A)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1140,1141,
 &end
#
#   47 TYR  HD           48 CYS  HN          5.50    (#    662:10  Unique         2.84, 4.65 A)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 758, 767,
 &end
#
#    0 AMB  10-2:664      7 VAL  HN          5.50    (#    664:10  Single Ambig)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 738,  74, 124, 125,
 &end
#
#    7 VAL  HB            7 VAL  HN          5.50    (#    665:10  Unique         3.60, 3.61 A)
 &rst
  ixpk= 665, nxpk= 10, iat= 105, 101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 ASP  HB-           7 VAL  HN          5.50    (#    666:10  Unique         4.05, 4.47 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  93,  94,
 &end
#
#    0 AMB  10-2:667      7 VAL  HN          5.50    (#    667:10  Single Ambig)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  93,  94, 775, 776,
 &end
#
#    7 VAL  HA            7 VAL  HN          4.50    (#    669:10  Unique         2.77, 2.81 A)
 &rst
  ixpk= 669, nxpk= 10, iat= 103, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HN            7 VAL  HN          5.50    (#    670:10  Unique         2.53, 3.27 A)
 &rst
  ixpk= 670, nxpk= 10, iat= 750, 101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 VAL  HB           12 GLN  HN          4.50    (#    671:10  Unique         3.27, 3.52 A)
 &rst
  ixpk= 671, nxpk= 10, iat= 145, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 TYR  HB+          12 GLN  HN          5.50    (#    672:10  Unique         4.36, 4.63 A)
 &rst
  ixpk= 672, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 207, 208,
 &end
#
#    9 VAL  MGY          12 GLN  HN          5.50    (#    673:10  Unique         1.94, 4.27 A)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  10-2:674     12 GLN  HN          5.50    (#    674:10  Single Ambig)
 &rst
  ixpk= 674, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 173, 205,
 &end
#
#    0 AMB  10-2:678     62 SER  HN          5.50    (#    678:10  Single Ambig)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 989, 990, 989, 990, 925, 926, 925, 926,
 &end
#
#    0 AMB  10-2:679     62 SER  HN          5.50    (#    679:10  Single Ambig)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1028,1029, 928, 929,
 &end
#
#   61 LEU  MDY          62 SER  HN          5.50    (#    680:10  Unique         4.08, 5.73 A)
 &rst
  ixpk= 680, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#   84 LYS  HN           85 GLY  HN          5.50    (#    681:10  Unique         4.37, 4.56 A)
 &rst
  ixpk= 681, nxpk= 10, iat=1296,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLN  HA           85 GLY  HN          4.50    (#    682:10  Unique         2.65, 3.27 A)
 &rst
  ixpk= 682, nxpk= 10, iat= 243,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HA           85 GLY  HN          5.50    (#    683:10  Unique         2.98, 3.86 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 260,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:684     85 GLY  HN          5.50    (#    684:10  Single Ambig)
 &rst
  ixpk= 684, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 262, 263, 245, 246, 245, 246,
 &end
#
#   84 LYS  HB-          85 GLY  HN          4.50    (#    685:10  Unique         1.95, 3.20 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1300,1301,
 &end
#
#    0 AMB  10-2:686     85 GLY  HN          4.50    (#    686:10  Single Ambig)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1303,1304,1303,1304,
 &end
#
#   12 GLN  HA           15 GLN  HN          4.50    (#    687:10  Unique         2.93, 3.79 A)
 &rst
  ixpk= 687, nxpk= 10, iat= 188, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 GLN  HA           15 GLN  HN          4.50    (#    688:10  Unique         2.75, 3.17 A)
 &rst
  ixpk= 688, nxpk= 10, iat= 226, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLN  HG-          15 GLN  HN          4.50    (#    689:10  Unique         2.38, 3.75 A)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 248, 249,
 &end
#
#    0 AMB  10-2:690     15 GLN  HN          2.80    (#    690:10  Single Ambig)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 245, 246, 245, 246,
 &end
#
#    0 AMB  10-2:691     28 GLU  HN          4.50    (#    691:10  Single Ambig)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 427, 375,
 &end
#
#   26 LEU  HA           28 GLU  HN          5.50    (#    692:10  Unique         3.34, 4.12 A)
 &rst
  ixpk= 692, nxpk= 10, iat= 408, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 VAL  HA           28 GLU  HN          5.50    (#    693:10  Unique         4.43, 4.76 A)
 &rst
  ixpk= 693, nxpk= 10, iat= 464, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 PRO  HB-          28 GLU  HN          4.50    (#    694:10  Unique         3.11, 4.72 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 399, 400,
 &end
#
#    0 AMB  10-2:695     28 GLU  HN          4.50    (#    695:10  Single Ambig)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
       420, 421,
 &end
#
#   24 ILE  QG2          28 GLU  HN          5.50    (#    696:10  Unique         3.57, 4.98 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 379, 380, 381,
 &end
#
#   44 VAL  HN           43 THR  HN          5.50    (#    697:10  Unique         4.20, 4.47 A)
 &rst
  ixpk= 697, nxpk= 10, iat= 696, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 HIS  HD2          43 THR  HN          5.50    (#    698:10  Unique         3.92, 4.92 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  42, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:700     43 THR  HN          5.50    (#    700:10  Single Ambig)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  18,  19,  18,  19,
 &end
#
#   43 THR  MG2          43 THR  HN          4.50    (#    701:10  Unique         4.39, 4.58 A)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 688, 689, 690,
 &end
#
#   44 VAL  MGY          43 THR  HN          5.50    (#    702:10  Unique         4.79, 6.92 A)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   76 LYS  HA           77 ASP  HN          4.50    (#    703:10  Unique         2.39, 3.18 A)
 &rst
  ixpk= 703, nxpk= 10, iat=1166,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASN  HD2-         41 ASN  HN          5.50    (#    704:10  Unique         4.20, 5.12 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 665, 666,
 &end
#
#   39 ASP  HA           41 ASN  HN          4.50    (#    705:10  Unique         3.43, 4.02 A)
 &rst
  ixpk= 705, nxpk= 10, iat= 624, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 LYS  HA           41 ASN  HN          4.50    (#    707:10  Unique         2.74, 3.10 A)
 &rst
  ixpk= 707, nxpk= 10, iat= 636, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 ASP  HB-          41 ASN  HN          5.50    (#    708:10  Unique         2.22, 3.26 A)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 626, 627,
 &end
#
#   40 LYS  HB+          41 ASN  HN          5.50    (#    709:10  Unique         2.81, 4.00 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#   40 LYS  HB-          41 ASN  HN          4.50    (#    710:10  Unique         2.81, 4.00 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 638, 639,
 &end
#
#    0 AMB  10-2:711     41 ASN  HN          5.50    (#    711:10  Single Ambig)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 641, 642, 644, 645,
 &end
#
#   72 ALA  HN           46 VAL  HN          4.50    (#    712:10  Unique         2.00, 3.12 A)
 &rst
  ixpk= 712, nxpk= 10, iat=1121, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 GLU  HN           46 VAL  HN          5.50    (#    713:10  Unique         3.97, 4.74 A)
 &rst
  ixpk= 713, nxpk= 10, iat=1092, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:714     46 VAL  HN          4.50    (#    714:10  Single Ambig)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 738,1096,1097,  74,
 &end
#
#   72 ALA  MB           46 VAL  HN          5.50    (#    715:10  Unique         2.30, 4.17 A)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1125,1126,1127,
 &end
#
#   45 LYS  HB-          46 VAL  HN          4.50    (#    716:10  Unique         2.66, 3.94 A)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 716, 717,
 &end
#
#    0 AMB  10-2:717     46 VAL  HN          5.50    (#    717:10  Single Ambig)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 719, 720, 716, 717,
 &end
#
#   45 LYS  HG+          46 VAL  HN          4.50    (#    718:10  Unique         2.53, 4.69 A)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 719, 720,
 &end
#
#   46 VAL  MGY          46 VAL  HN          4.50    (#    719:10  Unique         1.95, 3.32 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#   63 GLU  HN           64 MET  HN          4.50    (#    720:10  Unique         2.58, 2.65 A)
 &rst
  ixpk= 720, nxpk= 10, iat= 985,1000, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 SER  HN           64 MET  HN          5.50    (#    721:10  Unique         3.68, 3.91 A)
 &rst
  ixpk= 721, nxpk= 10, iat= 974,1000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 SER  HA           64 MET  HN          5.50    (#    722:10  Unique         4.03, 4.19 A)
 &rst
  ixpk= 722, nxpk= 10, iat= 976,1000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLN  HA           16 GLU  HN          4.50    (#    723:10  Unique         2.25, 3.14 A)
 &rst
  ixpk= 723, nxpk= 10, iat= 243, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:724     16 GLU  HN          5.50    (#    724:10  Single Ambig)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 273,1296,
 &end
#
#   15 GLN  HG+          16 GLU  HN          5.50    (#    725:10  Unique         2.09, 4.86 A)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 248, 249,
 &end
#
#   15 GLN  HG-          16 GLU  HN          5.50    (#    726:10  Unique         2.09, 4.86 A)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 248, 249,
 &end
#
#   75 LEU  HN           76 LYS  HN          4.50    (#    727:10  Unique         1.90, 2.76 A)
 &rst
  ixpk= 727, nxpk= 10, iat=1145,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 GLY  HA+          76 LYS  HN          5.50    (#    728:10  Unique         3.11, 4.06 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1140,1141,
 &end
#
#   75 LEU  HA           76 LYS  HN          5.50    (#    729:10  Unique         2.26, 3.20 A)
 &rst
  ixpk= 729, nxpk= 10, iat=1147,1164, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:730     76 LYS  HN          5.50    (#    730:10  Single Ambig)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1208,1209,1154,1155,1156,1158,1159,1160,
 &end
#
#   83 VAL  MGX          17 HIS  HN          5.50    (#    731:10  Unique         2.41, 5.43 A)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  10-2:732     17 HIS  HN          5.50    (#    732:10  Single Ambig)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,1154,1155,1156,1158,
      1159,1160,
 &end
#
#    0 AMB  10-2:735     17 HIS  HN          5.50    (#    735:10  Single Ambig)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1265,1266,1154,1155,1156,1158,1159,1160,
 &end
#
#   16 GLU  HB+          17 HIS  HN          5.50    (#    736:10  Unique         2.44, 4.12 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 262, 263,
 &end
#
#   17 HIS  HB+          17 HIS  HN          5.50    (#    737:10  Unique         3.03, 3.57 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 277, 278,
 &end
#
#   84 LYS  HA           17 HIS  HN          5.50    (#    738:10  Unique         3.37, 3.83 A)
 &rst
  ixpk= 738, nxpk= 10, iat=1298, 273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 GLU  HN           17 HIS  HN          5.50    (#    739:10  Unique         3.23, 3.82 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 258, 273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 ASN  HN           41 ASN  HD2+        5.50    (#    740:10  Unique         4.20, 5.12 A)
 &rst
  ixpk= 740, nxpk= 10, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 665, 666,
 &end
#
#   41 ASN  HA           41 ASN  HD2+        5.50    (#    741:10  Unique         2.17, 4.04 A)
 &rst
  ixpk= 741, nxpk= 10, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 665, 666,
 &end
#
#   41 ASN  HB+          41 ASN  HD2-        5.50    (#    742:10  Unique         2.12, 3.30 A)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   20 GLY  HA+          20 GLY  HN          5.50    (#    743:10  Unique         2.30, 2.68 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1, 323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 325, 326,
 &end
#
#    0 AMB  10-2:744     31 GLU  HN          5.50    (#    744:10  Single Ambig)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   29 VAL  HA           31 GLU  HN          5.50    (#    745:10  Unique         4.18, 4.34 A)
 &rst
  ixpk= 745, nxpk= 10, iat= 464, 500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 LYS  HA           31 GLU  HN          4.50    (#    746:10  Unique         3.50, 3.54 A)
 &rst
  ixpk= 746, nxpk= 10, iat= 480, 500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 GLU  HA           31 GLU  HN          4.50    (#    747:10  Unique         3.20, 3.39 A)
 &rst
  ixpk= 747, nxpk= 10, iat= 449, 500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 PRO  HA           11 GLU  HN          5.50    (#    749:10  Unique         3.41, 3.48 A)
 &rst
  ixpk= 749, nxpk= 10, iat= 167, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 VAL  HA           11 GLU  HN          5.50    (#    750:10  Unique         3.91, 4.09 A)
 &rst
  ixpk= 750, nxpk= 10, iat= 143, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 VAL  HB           11 GLU  HN          4.50    (#    751:10  Unique         2.30, 2.51 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 145, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 ALA  HA           37 VAL  HN          4.50    (#    752:10  Unique         3.45, 3.53 A)
 &rst
  ixpk= 752, nxpk= 10, iat= 584, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 PRO  HD+          37 VAL  HN          5.50    (#    753:10  Unique         2.75, 3.40 A)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   33 ILE  HA           37 VAL  HN          5.50    (#    754:10  Unique         2.90, 3.22 A)
 &rst
  ixpk= 754, nxpk= 10, iat= 541, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HD-          37 VAL  HN          4.50    (#    755:10  Unique         2.75, 3.40 A)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 609, 610,
 &end
#
#   33 ILE  HG1+         37 VAL  HN          4.50    (#    756:10  Unique         2.43, 4.01 A)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 549, 550,
 &end
#
#   33 ILE  QD1          37 VAL  HN          4.50    (#    757:10  Unique         3.10, 4.92 A)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 552, 553, 554,
 &end
#
#    0 AMB  10-2:758     32 ARG  HN          5.50    (#    758:10  Single Ambig)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   29 VAL  MGX          32 ARG  HN          5.50    (#    759:10  Unique         4.18, 5.77 A)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   33 ILE  QG2          32 ARG  HN          5.50    (#    760:10  Unique         3.42, 4.66 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 545, 546, 547,
 &end
#
#    0 AMB  10-2:761     32 ARG  HN          5.50    (#    761:10  Single Ambig)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 507, 508, 507, 508,1011,1012,1013,
 &end
#
#    0 AMB  10-2:762     32 ARG  HN          5.50    (#    762:10  Single Ambig)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 525, 526, 525, 526,
 &end
#
#   29 VAL  HA           32 ARG  HN          4.50    (#    763:10  Unique         2.99, 3.31 A)
 &rst
  ixpk= 763, nxpk= 10, iat= 464, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 GLU  HA           32 ARG  HN          4.50    (#    764:10  Unique         3.19, 3.26 A)
 &rst
  ixpk= 764, nxpk= 10, iat= 502, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HN           27 LYS  HN          4.50    (#    765:10  Unique         2.56, 3.07 A)
 &rst
  ixpk= 765, nxpk= 10, iat= 406, 425, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HN           27 LYS  HN          5.50    (#    766:10  Unique         3.48, 3.81 A)
 &rst
  ixpk= 766, nxpk= 10, iat= 462, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HA           27 LYS  HN          5.50    (#    768:10  Unique         3.28, 3.44 A)
 &rst
  ixpk= 768, nxpk= 10, iat= 408, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 PRO  HB+          27 LYS  HN          5.50    (#    769:10  Unique         2.11, 3.62 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 399, 400,
 &end
#
#    0 AMB  10-2:770     27 LYS  HN          4.50    (#    770:10  Single Ambig)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474,
 &end
#
#   41 ASN  HA           67 THR  HN          4.50    (#    772:10  Unique         3.53, 4.30 A)
 &rst
  ixpk= 772, nxpk= 10, iat= 658,1045, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HB+          67 THR  HN          4.50    (#    773:10  Unique         2.43, 3.66 A)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   66 TYR  HB-          67 THR  HN          5.50    (#    774:10  Unique         2.43, 3.66 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1028,1029,
 &end
#
#   40 LYS  HB+          67 THR  HN          4.50    (#    775:10  Unique         2.11, 4.27 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 638, 639,
 &end
#
#    0 AMB  10-2:776     67 THR  HN          5.50    (#    776:10  Single Ambig)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   40 LYS  HB-          67 THR  HN          5.50    (#    777:10  Unique         2.11, 4.27 A)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#   53 GLN  HG+          53 GLN  HE2+        5.50    (#    781:10  Unique         2.12, 3.30 A)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#   53 GLN  HG-          53 GLN  HE2+        4.50    (#    782:10  Unique         2.12, 3.30 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#    0 AMB  10-2:783      0 AMB  10-1:783    5.50    (#    783:10  Double Ambig)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 841, 842, 124, 125,
 igr2= 849, 850, 849, 850,
 &end
#
#   26 LEU  MDX          53 GLN  HE2+        5.50    (#    784:10  Unique         2.93, 6.42 A)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 849, 850,
 &end
#
#   53 GLN  HG+          53 GLN  HE2-        5.50    (#    785:10  Unique         2.12, 3.30 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#   53 GLN  HG-          53 GLN  HE2-        5.50    (#    786:10  Unique         2.12, 3.30 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#    0 AMB  10-2:787     53 GLN  HE2-        5.50    (#    787:10  Single Ambig)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 841, 842, 124, 125,
 igr2= 849, 850,
 &end
#
#    9 VAL  MGX          53 GLN  HE2-        5.50    (#    788:10  Unique         1.96, 4.78 A)
 &rst
  ixpk= 788, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 849, 850,
 &end
#
#   15 GLN  HG+          15 GLN  HE2+        4.50    (#    789:10  Unique         2.12, 3.23 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 248, 249,
 igr2= 253, 254,
 &end
#
#    0 AMB  10-2:790      0 AMB  10-1:790    5.50    (#    790:10  Double Ambig)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 248, 249, 193, 194,
 igr2= 253, 254, 253, 254,
 &end
#
#   15 GLN  HG+          15 GLN  HE2-        5.50    (#    791:10  Unique         2.12, 3.23 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 248, 249,
 igr2= 253, 254,
 &end
#
#    0 AMB  10-2:792     15 GLN  HE2-        5.50    (#    792:10  Single Ambig)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 248, 249, 193, 194,
 igr2= 253, 254,
 &end
#
#   54 SER  HB-          55 GLY  HN          5.50    (#    793:10  Unique         2.48, 3.66 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 858, 859,
 &end
#
#   71 ASN  HD2+         55 GLY  HN          5.50    (#    796:10  Unique         2.81, 4.09 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1116,1117,
 &end
#
#    0 AMB  10-2:797     55 GLY  HN          5.50    (#    797:10  Single Ambig)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 889, 899,
 &end
#
#   60 ILE  HG1+         56 GLN  HE2-        5.50    (#    798:10  Unique         2.37, 4.36 A)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 946, 947,
 igr2= 884, 885,
 &end
#
#    0 AMB  10-2:799      0 AMB  10-1:799    4.50    (#    799:10  Double Ambig)
 &rst
  ixpk= 799, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 147, 148, 149, 151, 152, 153, 946, 947,
 igr2= 141, 884, 885,
 &end
#
#    0 AMB  10-2:800     56 GLN  HE2-        4.50    (#    800:10  Single Ambig)
 &rst
  ixpk= 800, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 876, 877, 879, 880,
 igr2= 884, 885,
 &end
#
#   56 GLN  HG+          56 GLN  HE2-        5.50    (#    801:10  Unique         2.13, 3.32 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 879, 880,
 igr2= 884, 885,
 &end
#
#   19 GLN  HG-          19 GLN  HE2+        4.50    (#    804:10  Unique         2.36, 3.45 A)
 &rst
  ixpk= 804, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 313, 314,
 igr2= 318, 319,
 &end
#
#   19 GLN  HG-          19 GLN  HE2-        5.50    (#    805:10  Unique         2.36, 3.45 A)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 313, 314,
 igr2= 318, 319,
 &end
#
#   83 VAL  MGX          19 GLN  HE2+        5.50    (#    806:10  Unique         3.96, 7.70 A)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 318, 319,
 &end
#
#    0 AMB  10-2:807      9 VAL  HN          4.50    (#    807:10  Single Ambig)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 145, 841, 842,
 &end
#
#   51 GLY  HA+          71 ASN  HD2-        5.50    (#    809:10  Unique         4.15, 6.76 A)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 808, 809,
 igr2=1116,1117,
 &end
#
#   55 GLY  HA+          71 ASN  HD2+        5.50    (#    810:10  Unique         1.95, 3.78 A)
 &rst
  ixpk= 810, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 867, 868,
 igr2=1116,1117,
 &end
#
#   55 GLY  HA+          71 ASN  HD2-        4.50    (#    811:10  Unique         1.95, 3.78 A)
 &rst
  ixpk= 811, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 867, 868,
 igr2=1116,1117,
 &end
#
#    0 AMB  10-2:812     71 ASN  HD2-        4.50    (#    812:10  Single Ambig)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 858, 859, 867, 868,
 igr2=1116,1117,
 &end
#
#    0 AMB  10-2:813      0 AMB  10-1:813    4.50    (#    813:10  Double Ambig)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 858, 859, 867, 868,
 igr2=1116,1117,1116,1117,
 &end
#
#   71 ASN  HB+          71 ASN  HD2-        4.50    (#    814:10  Unique         2.52, 3.49 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   71 ASN  HB-          71 ASN  HD2-        4.50    (#    815:10  Unique         2.52, 3.49 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   12 GLN  HG-          12 GLN  HE2-        5.50    (#    816:10  Unique         2.13, 3.27 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 193, 194,
 igr2= 198, 199,
 &end
#
#   12 GLN  HG+          12 GLN  HE2-        5.50    (#    817:10  Unique         2.13, 3.27 A)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 193, 194,
 igr2= 198, 199,
 &end
#
#   12 GLN  HG+          12 GLN  HE2+        5.50    (#    818:10  Unique         2.13, 3.27 A)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 193, 194,
 igr2= 198, 199,
 &end
#
#    0 AMB  10-2:819      0 AMB  10-1:819    5.50    (#    819:10  Double Ambig)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 190, 191, 190, 191,
 igr2= 198, 199, 198, 199,
 &end
#
#    8 ARG  HG-           8 ARG  HE          5.50    (#    823:10  Unique         2.22, 3.34 A)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 124, 125,
 &end
#
#    8 ARG  HB-           8 ARG  HE          4.50    (#    824:10  Unique         2.01, 3.01 A)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#    8 ARG  HB+           8 ARG  HE          5.50    (#    825:10  Unique         2.01, 3.01 A)
 &rst
  ixpk= 825, nxpk= 10, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 121, 122,
 &end
#
#    8 ARG  HD-           8 ARG  HE          5.50    (#    826:10  Unique         2.28, 2.69 A)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 127, 128,
 &end
#
#    8 ARG  HD+           8 ARG  HE          5.50    (#    827:10  Unique         2.28, 2.69 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 127, 128,
 &end
#
#   77 ASP  HB-          74 GLY  HN          5.50    (#    828:10  Unique         2.67, 4.29 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1190,1191,
 &end
#
#    0 AMB  10-2:829     35 THR  HN          5.50    (#    829:10  Single Ambig)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 386, 387, 388, 379, 380, 381,
 &end
#
#   33 ILE  QG2          35 THR  HN          5.50    (#    830:10  Unique         4.37, 5.32 A)
 &rst
  ixpk= 830, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 545, 546, 547,
 &end
#
#    0 AMB  10-2:831     35 THR  HN          5.50    (#    831:10  Single Ambig)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 522, 523, 519, 520, 543,
 &end
#
#   32 ARG  HA           35 THR  HN          5.50    (#    832:10  Unique         3.22, 3.51 A)
 &rst
  ixpk= 832, nxpk= 10, iat= 517, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:834     35 THR  HN          4.50    (#    834:10  Single Ambig)
 &rst
  ixpk= 834, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 592, 539,
 &end
#
#   36 ALA  HN           35 THR  HN          3.50    (#    835:10  Unique         1.98, 2.14 A)
 &rst
  ixpk= 835, nxpk= 10, iat= 582, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 ILE  HN           23 ASN  HD2+        4.50    (#    836:10  Unique         3.03, 3.95 A)
 &rst
  ixpk= 836, nxpk= 10, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 368, 369,
 &end
#
#   10 PRO  HA           23 ASN  HD2+        5.50    (#    838:10  Unique         3.10, 4.08 A)
 &rst
  ixpk= 838, nxpk= 10, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 368, 369,
 &end
#
#    0 AMB  10-2:839      0 AMB  10-1:839    5.50    (#    839:10  Double Ambig)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 402,  91, 226,
 igr2= 368, 369, 368, 369, 368, 369,
 &end
#
#   13 TYR  HB+          23 ASN  HD2+        5.50    (#    840:10  Unique         2.27, 4.17 A)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 368, 369,
 &end
#
#    6 ASP  HB+          23 ASN  HD2-        5.50    (#    841:10  Unique         2.78, 5.42 A)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  93,  94,
 igr2= 368, 369,
 &end
#
#   13 TYR  HB-          23 ASN  HD2+        5.50    (#    842:10  Unique         2.27, 4.17 A)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 368, 369,
 &end
#
#   25 PRO  HD-          23 ASN  HD2+        5.50    (#    843:10  Unique         2.27, 4.29 A)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 394,
 igr2= 368, 369,
 &end
#
#    0 AMB  10-2:844      0 AMB  10-1:844    4.50    (#    844:10  Double Ambig)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 363, 364, 164, 165,
 igr2= 368, 369, 368, 369,
 &end
#
#    0 AMB  10-2:845     23 ASN  HD2-        5.50    (#    845:10  Single Ambig)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 363, 364, 396, 397,
 igr2= 368, 369,
 &end
#
#   23 ASN  HB-          23 ASN  HD2+        5.50    (#    846:10  Unique         2.57, 3.51 A)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 368, 369,
 &end
#
#   23 ASN  HB-          23 ASN  HD2-        5.50    (#    847:10  Unique         2.57, 3.51 A)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 368, 369,
 &end
#
#   80 MET  HN           79 ALA  HN          5.50    (#    848:10  Unique         2.68, 3.28 A)
 &rst
  ixpk= 848, nxpk= 10, iat=1227,1217, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:849     79 ALA  HN          5.50    (#    849:10  Single Ambig)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,1217, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1208,1209,1231,1232,
 &end
#
#   72 ALA  MB           73 GLY  HN          4.50    (#    850:10  Unique         1.97, 3.34 A)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1125,1126,1127,
 &end
#
#   54 SER  HB+          73 GLY  HN          5.50    (#    851:10  Unique         2.82, 4.14 A)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 858, 859,
 &end
#
#   72 ALA  HA           73 GLY  HN          5.50    (#    852:10  Unique         3.03, 3.50 A)
 &rst
  ixpk= 852, nxpk= 10, iat=1123,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   71 ASN  HA           73 GLY  HN          4.50    (#    853:10  Unique         3.35, 4.14 A)
 &rst
  ixpk= 853, nxpk= 10, iat=1109,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:855     65 GLY  HN          5.50    (#    855:10  Single Ambig)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 976,1026,
 &end
#
#   63 GLU  HA           65 GLY  HN          5.50    (#    856:10  Unique         3.62, 3.89 A)
 &rst
  ixpk= 856, nxpk= 10, iat= 987,1017, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 MET  HB+          65 GLY  HN          5.50    (#    857:10  Unique         2.64, 3.24 A)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1004,1005,
 &end
#
#   64 MET  HB-          65 GLY  HN          5.50    (#    858:10  Unique         2.64, 3.24 A)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1004,1005,
 &end
#
#    0 AMB  10-2:859     71 ASN  HD2-        5.50    (#    859:10  Single Ambig)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1133,1134, 808, 809,
 igr2=1116,1117,
 &end
#
#   13 TYR  HE           13 TYR  HD          3.50    (#      7:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 7, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 213, 218,
 igr2= 211, 220,
 &end
#
#   13 TYR  HB-          13 TYR  HD          5.50    (#      8:60  Unique         2.30, 3.06 A)
 &rst
  ixpk= 8, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 211, 220,
 &end
#
#   13 TYR  HB+          13 TYR  HD          3.50    (#     10:60  Unique         2.30, 3.06 A)
 &rst
  ixpk= 10, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 207, 208,
 igr2= 211, 220,
 &end
#
#    0 AMB  60-2:12      66 TYR  HD          4.50    (#     12:60  Single Ambig)
 &rst
  ixpk= 12, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088,
 igr2=1032,1041,
 &end
#
#   66 TYR  HB-          66 TYR  HD          3.50    (#     13:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 13, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1028,1029,
 igr2=1032,1041,
 &end
#
#   66 TYR  HE           66 TYR  HD          3.50    (#     14:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 14, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1034,1039,
 igr2=1032,1041,
 &end
#
#   66 TYR  HB+          66 TYR  HD          3.50    (#     16:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 16, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1028,1029,
 igr2=1032,1041,
 &end
#
#   66 TYR  HN           66 TYR  HD          4.50    (#     17:60  Unique         1.94, 3.54 A)
 &rst
  ixpk= 17, nxpk= 60, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1032,1041,
 &end
#
#    4 TRP  HB-           4 TRP  HD1         4.50    (#     25:60  Unique         2.56, 3.19 A)
 &rst
  ixpk= 25, nxpk= 60, iat=  -1,  54, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,
 &end
#
#    4 TRP  HE1           4 TRP  HD1         3.50    (#     26:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 26, nxpk= 60, iat=  56,  54, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 TRP  HN            4 TRP  HD1         5.50    (#     27:60  Unique         2.58, 3.20 A)
 &rst
  ixpk= 27, nxpk= 60, iat=  46,  54, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 TRP  HZ2           4 TRP  HH2         2.80    (#     28:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 28, nxpk= 60, iat=  59,  61, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 TRP  HZ3           4 TRP  HH2         3.50    (#     29:60  Unique         2.44, 2.44 A)
 &rst
  ixpk= 29, nxpk= 60, iat=  63,  61, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ALA  MB            4 TRP  HH2         4.50    (#     30:60  Unique         2.39, 4.06 A)
 &rst
  ixpk= 30, nxpk= 60, iat=  -1,  61, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1125,1126,1127,
 &end
#
#   78 ILE  QG2           4 TRP  HH2         4.50    (#     31:60  Unique         2.01, 3.60 A)
 &rst
  ixpk= 31, nxpk= 60, iat=  -1,  61, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1204,1205,1206,
 &end
#
#    0 AMB  60-2:32      17 HIS  HD2         5.50    (#     32:60  Single Ambig)
 &rst
  ixpk= 32, nxpk= 60, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1280, 330, 283,
 &end
#
#    4 TRP  HE3           4 TRP  HZ3         3.50    (#     34:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 34, nxpk= 60, iat=  65,  63, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 TRP  HH2           4 TRP  HZ3         3.50    (#     36:60  Unique         2.44, 2.44 A)
 &rst
  ixpk= 36, nxpk= 60, iat=  61,  63, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  QD1           4 TRP  HZ3         3.50    (#     37:60  Unique         2.01, 3.29 A)
 &rst
  ixpk= 37, nxpk= 60, iat=  -1,  63, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1211,1212,1213,
 &end
#
#   72 ALA  MB            4 TRP  HZ3         3.50    (#     38:60  Unique         2.00, 3.09 A)
 &rst
  ixpk= 38, nxpk= 60, iat=  -1,  63, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1125,1126,1127,
 &end
#
#    0 AMB  60-2:40       3 HIS  HD2         4.50    (#     40:60  Single Ambig)
 &rst
  ixpk= 40, nxpk= 60, iat=  -1,  42, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  29,  39,  14,
 &end
#
#   42 ASP  HB+           3 HIS  HD2         3.50    (#     41:60  Unique         2.55, 3.15 A)
 &rst
  ixpk= 41, nxpk= 60, iat=  -1,  42, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#    0 AMB  60-2:42       3 HIS  HD2         3.50    (#     42:60  Single Ambig)
 &rst
  ixpk= 42, nxpk= 60, iat=  -1,  42, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 674, 675,  33,  34,
 &end
#
#   44 VAL  MGY           3 HIS  HD2         4.50    (#     43:60  Unique         3.01, 5.34 A)
 &rst
  ixpk= 43, nxpk= 60, iat=  -1,  42, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   33 ILE  HG1+          3 HIS  HD2         5.50    (#     44:60  Unique         5.83, 6.30 A)
 &rst
  ixpk= 44, nxpk= 60, iat=  -1,  42, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 549, 550,
 &end
#
#   68 HIS  HA           68 HIS  HD2         5.50    (#     45:60  Unique         3.78, 4.14 A)
 &rst
  ixpk= 45, nxpk= 60, iat=1061,1072, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 TRP  HB+           4 TRP  HE3         4.50    (#     51:60  Unique         2.51, 3.41 A)
 &rst
  ixpk= 51, nxpk= 60, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,
 &end
#
#   33 ILE  QG2          66 TYR  HE          3.50    (#     55:60  Unique         2.00, 4.49 A)
 &rst
  ixpk= 55, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 545, 546, 547,
 igr2=1034,1039,
 &end
#
#   33 ILE  HG1+         66 TYR  HE          2.80    (#     56:60  Unique         2.09, 3.83 A)
 &rst
  ixpk= 56, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 549, 550,
 igr2=1034,1039,
 &end
#
#    0 AMB  60-2:57       0 AMB  60-1:57     2.80    (#     57:60  Double Ambig)
 &rst
  ixpk= 57, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 286,1032,1041,
 igr2= 213, 218,1034,1039,
 &end
#
#   40 LYS  HA           66 TYR  HE          4.50    (#     58:60  Unique         2.18, 4.44 A)
 &rst
  ixpk= 58, nxpk= 60, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1034,1039,
 &end
#
#   64 MET  ME           66 TYR  HE          4.50    (#     59:60  Unique         2.00, 5.02 A)
 &rst
  ixpk= 59, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1011,1012,1013,
 igr2=1034,1039,
 &end
#
#   37 VAL  HB           66 TYR  HE          3.50    (#     60:60  Unique         2.00, 4.14 A)
 &rst
  ixpk= 60, nxpk= 60, iat= 596,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1034,1039,
 &end
#
#    4 TRP  HE1           4 TRP  HZ2         4.50    (#     61:60  Unique         2.82, 2.82 A)
 &rst
  ixpk= 61, nxpk= 60, iat=  56,  59, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HH2           4 TRP  HZ2         2.80    (#     62:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 62, nxpk= 60, iat=  61,  59, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  60-2:63       4 TRP  HZ2         5.50    (#     63:60  Single Ambig)
 &rst
  ixpk= 63, nxpk= 60, iat=  -1,  59, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1231,1232, 294,
 &end
#
#    0 AMB  60-2:64       4 TRP  HZ2         5.50    (#     64:60  Single Ambig)
 &rst
  ixpk= 64, nxpk= 60, iat=  -1,  59, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1204,1205,1206, 722, 723,
 &end
#
#    0 AMB  60-2:74      13 TYR  HD          5.50    (#     74:60  Single Ambig)
 &rst
  ixpk= 74, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 231, 232, 231, 232,
 igr2= 211, 220,
 &end
#
#   14 GLN  HA           13 TYR  HD          5.50    (#     75:60  Unique         3.28, 4.98 A)
 &rst
  ixpk= 75, nxpk= 60, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 211, 220,
 &end
#
#   14 GLN  HN           13 TYR  HD          5.50    (#     77:60  Unique         2.39, 4.63 A)
 &rst
  ixpk= 77, nxpk= 60, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 211, 220,
 &end
#
#   66 TYR  HA           66 TYR  HD          5.50    (#     79:60  Unique         2.07, 3.46 A)
 &rst
  ixpk= 79, nxpk= 60, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1032,1041,
 &end
#
#   61 LEU  HA           66 TYR  HD          5.50    (#     80:60  Unique         2.67, 5.32 A)
 &rst
  ixpk= 80, nxpk= 60, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1032,1041,
 &end
#
#    0 AMB  60-2:81      66 TYR  HD          5.50    (#     81:60  Single Ambig)
 &rst
  ixpk= 81, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 959, 960, 644, 645,
 igr2=1032,1041,
 &end
#
#   61 LEU  MDX          66 TYR  HD          5.50    (#     82:60  Unique         2.61, 6.43 A)
 &rst
  ixpk= 82, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1032,1041,
 &end
#
#    3 HIS  HA            4 TRP  HD1         5.50    (#     93:60  Unique         3.26, 4.01 A)
 &rst
  ixpk= 93, nxpk= 60, iat=  31,  54, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  60-2:94       4 TRP  HD1         5.50    (#     94:60  Single Ambig)
 &rst
  ixpk= 94, nxpk= 60, iat=  -1,  54, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  21,  22,  21,  22,
 &end
#
#   19 GLN  HA           17 HIS  HD2         5.50    (#    102:60  Unique         3.24, 4.00 A)
 &rst
  ixpk= 102, nxpk= 60, iat= 308, 286, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 HIS  HB+          17 HIS  HD2         5.50    (#    103:60  Unique         2.70, 3.31 A)
 &rst
  ixpk= 103, nxpk= 60, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 277, 278,
 &end
#
#   17 HIS  HB-          17 HIS  HD2         5.50    (#    104:60  Unique         2.70, 3.31 A)
 &rst
  ixpk= 104, nxpk= 60, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 277, 278,
 &end
#
#   21 ALA  MB           17 HIS  HD2         5.50    (#    105:60  Unique         2.61, 4.89 A)
 &rst
  ixpk= 105, nxpk= 60, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 334, 335, 336,
 &end
#
#   83 VAL  MGX          17 HIS  HD2         5.50    (#    106:60  Unique         2.04, 5.62 A)
 &rst
  ixpk= 106, nxpk= 60, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  60-2:112      4 TRP  HZ3         5.50    (#    112:60  Single Ambig)
 &rst
  ixpk= 112, nxpk= 60, iat=  -1,  63, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1208,1209,1154,1155,1156,1158,1159,1160,
 &end
#
#   78 ILE  QG2           4 TRP  HZ3         4.50    (#    113:60  Unique         3.59, 5.01 A)
 &rst
  ixpk= 113, nxpk= 60, iat=  -1,  63, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1204,1205,1206,
 &end
#
#    2 GLU  HA            3 HIS  HD2         5.50    (#    117:60  Unique         4.43, 5.01 A)
 &rst
  ixpk= 117, nxpk= 60, iat=  16,  42, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 VAL  HA            3 HIS  HD2         5.50    (#    119:60  Unique         3.87, 4.24 A)
 &rst
  ixpk= 119, nxpk= 60, iat= 698,  42, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   37 VAL  MGX           3 HIS  HD2         5.50    (#    120:60  Unique         2.00, 2.94 A)
 &rst
  ixpk= 120, nxpk= 60, iat=  -1,  42, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   68 HIS  HB-          68 HIS  HD2         5.50    (#    121:60  Unique         2.69, 3.28 A)
 &rst
  ixpk= 121, nxpk= 60, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#   68 HIS  HB+          68 HIS  HD2         5.50    (#    122:60  Unique         2.69, 3.28 A)
 &rst
  ixpk= 122, nxpk= 60, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#    4 TRP  HA            4 TRP  HE3         5.50    (#    127:60  Unique         2.58, 3.01 A)
 &rst
  ixpk= 127, nxpk= 60, iat=  48,  65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  60-2:128      4 TRP  HE3         5.50    (#    128:60  Single Ambig)
 &rst
  ixpk= 128, nxpk= 60, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 &end
#
#   64 MET  HB+          66 TYR  HE          5.50    (#    130:60  Unique         2.57, 5.37 A)
 &rst
  ixpk= 130, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1004,1005,
 igr2=1034,1039,
 &end
#
#    0 AMB  60-2:131     66 TYR  HE          5.50    (#    131:60  Single Ambig)
 &rst
  ixpk= 131, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 igr2=1034,1039,
 &end
#
#   33 ILE  HG1-         66 TYR  HE          5.50    (#    132:60  Unique         2.09, 3.83 A)
 &rst
  ixpk= 132, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 549, 550,
 igr2=1034,1039,
 &end
#
#   23 ASN  HB-          13 TYR  HE          5.50    (#    133:60  Unique         2.00, 4.48 A)
 &rst
  ixpk= 133, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 213, 218,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1   0.822  -1.094   1.769
    2    H2   ALA   1           H2       ALA   1   2.170  -0.172   1.597
    3    H3   ALA   1           H3       ALA   1   0.690   0.565   1.770
    4    HA   ALA   1           HA       ALA   1  -0.040  -0.371  -0.293
    5    HB1  ALA   1           HB1      ALA   1   0.897   1.904  -0.275
    6    HB2  ALA   1           HB2      ALA   1   2.549   1.259  -0.417
    7    HB3  ALA   1           HB3      ALA   1   1.393   1.057  -1.745
    8    H    GLU   2           H        GLU   2   0.283  -2.788  -0.118
    9    HA   GLU   2           HA       GLU   2   2.343  -3.717  -1.784
   10    HB2  GLU   2           HB2      GLU   2   3.685  -3.557   0.306
   11    HB3  GLU   2           HB3      GLU   2   2.432  -4.426   1.193
   12    HG2  GLU   2           HG2      GLU   2   2.900  -6.452  -0.232
   13    HG3  GLU   2           HG3      GLU   2   4.199  -5.550  -1.016
   14    H    HIS   3           H        HIS   3   1.691  -5.666  -2.638
   15    HA   HIS   3           HA       HIS   3  -0.281  -7.335  -1.238
   16    HB2  HIS   3           HB2      HIS   3  -0.479  -6.523  -4.177
   17    HB3  HIS   3           HB3      HIS   3  -1.427  -7.798  -3.421
   18    HD1  HIS   3           HD1      HIS   3  -2.887  -6.587  -1.081
   19    HD2  HIS   3           HD2      HIS   3  -1.808  -4.344  -4.447
   20    HE1  HIS   3           HE1      HIS   3  -4.497  -4.622  -1.179
   21    H    TRP   4           H        TRP   4  -0.142  -9.599  -2.138
   22    HA   TRP   4           HA       TRP   4   2.360 -10.165  -3.655
   23    HB2  TRP   4           HB2      TRP   4   1.088 -11.699  -1.359
   24    HB3  TRP   4           HB3      TRP   4   2.299 -12.369  -2.436
   25    HD1  TRP   4           HD1      TRP   4   2.000  -9.420   0.068
   26    HE1  TRP   4           HE1      TRP   4   4.202  -9.071   1.256
   27    HE3  TRP   4           HE3      TRP   4   4.730 -12.950  -2.434
   28    HZ2  TRP   4           HZ2      TRP   4   6.879 -10.329   1.212
   29    HZ3  TRP   4           HZ3      TRP   4   7.098 -13.355  -1.841
   30    HH2  TRP   4           HH2      TRP   4   8.185 -12.052  -0.035
   31    H    ILE   5           H        ILE   5   1.860 -11.087  -5.594
   32    HA   ILE   5           HA       ILE   5  -0.812 -12.358  -5.952
   33    HB   ILE   5           HB       ILE   5   0.713 -10.742  -8.026
   34   HG12  ILE   5          HG12      ILE   5   0.032  -9.092  -6.457
   35   HG13  ILE   5          HG13      ILE   5  -0.962  -8.994  -7.903
   36   HG21  ILE   5          HG21      ILE   5  -0.695 -12.449  -8.999
   37   HG22  ILE   5          HG22      ILE   5  -2.077 -11.972  -7.997
   38   HG23  ILE   5          HG23      ILE   5  -1.460 -10.875  -9.250
   39   HD11  ILE   5          HD11      ILE   5  -2.838 -10.072  -6.666
   40   HD12  ILE   5          HD12      ILE   5  -1.798 -10.074  -5.213
   41   HD13  ILE   5          HD13      ILE   5  -2.286  -8.547  -5.944
   42    H    ASP   6           H        ASP   6  -0.377 -14.455  -6.069
   43    HA   ASP   6           HA       ASP   6   2.048 -15.666  -7.139
   44    HB2  ASP   6           HB2      ASP   6   0.616 -16.654  -5.360
   45    HB3  ASP   6           HB3      ASP   6  -0.725 -16.745  -6.456
   46    H    VAL   7           H        VAL   7   2.398 -15.453  -9.354
   47    HA   VAL   7           HA       VAL   7   0.071 -15.235 -11.169
   48    HB   VAL   7           HB       VAL   7   1.647 -14.462 -12.842
   49   HG11  VAL   7          HG11      VAL   7   0.671 -12.856 -11.286
   50   HG12  VAL   7          HG12      VAL   7   2.045 -13.024 -10.186
   51   HG13  VAL   7          HG13      VAL   7   2.286 -12.334 -11.797
   52   HG21  VAL   7          HG21      VAL   7   3.845 -14.753 -10.760
   53   HG22  VAL   7          HG22      VAL   7   3.667 -15.766 -12.208
   54   HG23  VAL   7          HG23      VAL   7   3.999 -14.040 -12.363
   55    H    ARG   8           H        ARG   8   1.555 -17.653  -9.852
   56    HA   ARG   8           HA       ARG   8   2.364 -19.495 -11.893
   57    HB2  ARG   8           HB2      ARG   8   2.862 -19.394  -9.397
   58    HB3  ARG   8           HB3      ARG   8   1.196 -19.876  -9.115
   59    HG2  ARG   8           HG2      ARG   8   1.665 -22.079 -10.054
   60    HG3  ARG   8           HG3      ARG   8   3.305 -21.578 -10.497
   61    HD2  ARG   8           HD2      ARG   8   2.894 -22.938  -8.287
   62    HD3  ARG   8           HD3      ARG   8   4.082 -21.666  -8.321
   63    HE   ARG   8           HE       ARG   8   2.128 -20.187  -7.392
   64   HH11  ARG   8          HH11      ARG   8   2.820 -23.538  -6.423
   65   HH12  ARG   8          HH12      ARG   8   2.105 -23.325  -4.841
   66   HH21  ARG   8          HH21      ARG   8   1.177 -19.971  -5.489
   67   HH22  ARG   8          HH22      ARG   8   1.246 -21.247  -4.248
   68    H    VAL   9           H        VAL   9   1.136 -21.553 -12.357
   69    HA   VAL   9           HA       VAL   9  -1.591 -21.146 -13.079
   70    HB   VAL   9           HB       VAL   9  -1.634 -23.625 -13.397
   71   HG11  VAL   9          HG11      VAL   9  -0.897 -22.105 -15.184
   72   HG12  VAL   9          HG12      VAL   9   0.779 -22.177 -14.593
   73   HG13  VAL   9          HG13      VAL   9   0.003 -23.628 -15.246
   74   HG21  VAL   9          HG21      VAL   9   1.268 -23.560 -12.426
   75   HG22  VAL   9          HG22      VAL   9  -0.098 -24.354 -11.608
   76   HG23  VAL   9          HG23      VAL   9   0.441 -24.930 -13.185
   77    HA   PRO  10           HA       PRO  10  -3.481 -21.308  -9.186
   78    HB2  PRO  10           HB2      PRO  10  -6.050 -22.135  -9.716
   79    HB3  PRO  10           HB3      PRO  10  -5.391 -20.557 -10.236
   80    HG2  PRO  10           HG2      PRO  10  -5.602 -23.101 -11.868
   81    HG3  PRO  10           HG3      PRO  10  -6.088 -21.437 -12.334
   82    HD2  PRO  10           HD2      PRO  10  -3.699 -22.488 -13.086
   83    HD3  PRO  10           HD3      PRO  10  -3.848 -20.764 -12.630
   84    H    GLU  11           H        GLU  11  -3.326 -24.335 -10.980
   85    HA   GLU  11           HA       GLU  11  -4.298 -26.085  -9.018
   86    HB2  GLU  11           HB2      GLU  11  -2.783 -26.192 -11.558
   87    HB3  GLU  11           HB3      GLU  11  -2.130 -27.384 -10.408
   88    HG2  GLU  11           HG2      GLU  11  -4.334 -28.208  -9.862
   89    HG3  GLU  11           HG3      GLU  11  -5.108 -26.877 -10.755
   90    H    GLN  12           H        GLN  12  -1.135 -24.606  -9.292
   91    HA   GLN  12           HA       GLN  12  -0.056 -26.346  -7.199
   92    HB2  GLN  12           HB2      GLN  12   1.009 -23.959  -8.722
   93    HB3  GLN  12           HB3      GLN  12   1.926 -24.859  -7.486
   94    HG2  GLN  12           HG2      GLN  12   1.703 -26.934  -8.825
   95    HG3  GLN  12           HG3      GLN  12   0.831 -26.037 -10.073
   96   HE21  GLN  12          HE22      GLN  12   2.416 -26.312 -11.713
   97   HE22  GLN  12          HE21      GLN  12   4.004 -25.580 -11.623
   98    H    TYR  13           H        TYR  13  -1.542 -23.142  -7.455
   99    HA   TYR  13           HA       TYR  13  -0.787 -22.078  -4.928
  100    HB2  TYR  13           HB2      TYR  13  -1.811 -20.722  -6.637
  101    HB3  TYR  13           HB3      TYR  13  -3.191 -21.772  -6.733
  102    HD1  TYR  13           HD1      TYR  13  -1.531 -19.328  -4.409
  103    HD2  TYR  13           HD2      TYR  13  -5.078 -21.517  -5.533
  104    HE1  TYR  13           HE1      TYR  13  -2.889 -17.951  -2.827
  105    HE2  TYR  13           HE2      TYR  13  -6.428 -20.127  -4.028
  106    HH   TYR  13           HH       TYR  13  -6.450 -18.478  -2.677
  107    H    GLN  14           H        GLN  14  -3.300 -24.428  -5.887
  108    HA   GLN  14           HA       GLN  14  -4.499 -24.627  -3.274
  109    HB2  GLN  14           HB2      GLN  14  -4.561 -26.535  -5.661
  110    HB3  GLN  14           HB3      GLN  14  -5.596 -26.665  -4.230
  111    HG2  GLN  14           HG2      GLN  14  -6.532 -24.453  -4.574
  112    HG3  GLN  14           HG3      GLN  14  -5.434 -24.137  -5.907
  113   HE21  GLN  14          HE22      GLN  14  -5.815 -24.742  -7.883
  114   HE22  GLN  14          HE21      GLN  14  -7.342 -25.482  -8.385
  115    H    GLN  15           H        GLN  15  -1.412 -25.572  -4.107
  116    HA   GLN  15           HA       GLN  15  -1.483 -27.971  -2.325
  117    HB2  GLN  15           HB2      GLN  15   0.756 -27.074  -4.161
  118    HB3  GLN  15           HB3      GLN  15   0.566 -28.659  -3.430
  119    HG2  GLN  15           HG2      GLN  15  -1.532 -27.604  -5.351
  120    HG3  GLN  15           HG3      GLN  15   0.015 -28.071  -5.995
  121   HE21  GLN  15          HE22      GLN  15  -2.331 -28.849  -6.779
  122   HE22  GLN  15          HE21      GLN  15  -2.477 -30.602  -6.582
  123    H    GLU  16           H        GLU  16   0.192 -24.860  -3.115
  124    HA   GLU  16           HA       GLU  16   0.617 -24.364  -0.309
  125    HB2  GLU  16           HB2      GLU  16   2.508 -25.869  -1.024
  126    HB3  GLU  16           HB3      GLU  16   2.996 -24.643  -2.202
  127    HG2  GLU  16           HG2      GLU  16   3.534 -23.082  -0.407
  128    HG3  GLU  16           HG3      GLU  16   2.772 -24.133   0.786
  129    H    HIS  17           H        HIS  17   0.638 -22.124  -0.002
  130    HA   HIS  17           HA       HIS  17   1.731 -20.355  -2.059
  131    HB2  HIS  17           HB2      HIS  17  -0.184 -18.864  -2.135
  132    HB3  HIS  17           HB3      HIS  17  -0.472 -20.450  -2.848
  133    HD1  HIS  17           HD1      HIS  17  -2.380 -21.870  -1.907
  134    HD2  HIS  17           HD2      HIS  17  -1.705 -18.207   0.019
  135    HE1  HIS  17           HE1      HIS  17  -4.451 -21.379  -0.525
  136    H    VAL  18           H        VAL  18   1.907 -18.090  -1.193
  137    HA   VAL  18           HA       VAL  18   2.917 -18.099   1.504
  138    HB   VAL  18           HB       VAL  18   2.338 -15.853  -0.489
  139   HG11  VAL  18          HG11      VAL  18   2.485 -14.965   1.818
  140   HG12  VAL  18          HG12      VAL  18   4.005 -15.842   2.072
  141   HG13  VAL  18          HG13      VAL  18   3.913 -14.507   0.892
  142   HG21  VAL  18          HG21      VAL  18   4.929 -17.312   0.185
  143   HG22  VAL  18          HG22      VAL  18   4.030 -17.427  -1.344
  144   HG23  VAL  18          HG23      VAL  18   4.781 -15.906  -0.895
  145    H    GLN  19           H        GLN  19   1.927 -17.403   3.291
  146    HA   GLN  19           HA       GLN  19  -0.887 -17.475   3.529
  147    HB2  GLN  19           HB2      GLN  19   1.012 -17.910   5.268
  148    HB3  GLN  19           HB3      GLN  19   1.063 -16.155   5.470
  149    HG2  GLN  19           HG2      GLN  19  -1.434 -16.243   5.949
  150    HG3  GLN  19           HG3      GLN  19  -1.313 -18.002   5.945
  151   HE21  GLN  19          HE22      GLN  19   0.791 -18.745   7.480
  152   HE22  GLN  19          HE21      GLN  19   0.682 -17.959   9.055
  153    H    GLY  20           H        GLY  20  -2.139 -15.981   2.467
  154    HA2  GLY  20           HA2      GLY  20  -3.280 -13.902   2.826
  155    HA3  GLY  20           HA3      GLY  20  -1.753 -13.153   3.309
  156    H    ALA  21           H        ALA  21  -1.195 -15.090   0.551
  157    HA   ALA  21           HA       ALA  21  -1.100 -12.728  -1.199
  158    HB1  ALA  21           HB1      ALA  21   0.732 -14.370  -1.235
  159    HB2  ALA  21           HB2      ALA  21  -0.418 -15.671  -1.629
  160    HB3  ALA  21           HB3      ALA  21  -0.121 -14.363  -2.794
  161    H    ILE  22           H        ILE  22  -1.991 -12.954  -3.369
  162    HA   ILE  22           HA       ILE  22  -4.639 -14.322  -3.504
  163    HB   ILE  22           HB       ILE  22  -3.702 -12.355  -5.573
  164   HG12  ILE  22          HG12      ILE  22  -3.379 -11.218  -3.139
  165   HG13  ILE  22          HG13      ILE  22  -3.879 -10.401  -4.573
  166   HG21  ILE  22          HG21      ILE  22  -5.796 -13.532  -5.916
  167   HG22  ILE  22          HG22      ILE  22  -6.425 -12.955  -4.364
  168   HG23  ILE  22          HG23      ILE  22  -6.119 -11.812  -5.693
  169   HD11  ILE  22          HD11      ILE  22  -6.148 -10.321  -3.925
  170   HD12  ILE  22          HD12      ILE  22  -5.836 -11.384  -2.517
  171   HD13  ILE  22          HD13      ILE  22  -5.128  -9.750  -2.601
  172    H    ASN  23           H        ASN  23  -4.928 -15.592  -5.528
  173    HA   ASN  23           HA       ASN  23  -2.477 -15.904  -7.195
  174    HB2  ASN  23           HB2      ASN  23  -2.904 -18.068  -6.298
  175    HB3  ASN  23           HB3      ASN  23  -4.640 -17.970  -6.660
  176   HD21  ASN  23          HD22      ASN  23  -1.411 -18.651  -8.017
  177   HD22  ASN  23          HD21      ASN  23  -1.962 -18.945  -9.653
  178    H    ILE  24           H        ILE  24  -2.638 -15.218  -9.125
  179    HA   ILE  24           HA       ILE  24  -5.190 -15.252 -10.524
  180    HB   ILE  24           HB       ILE  24  -3.492 -12.778 -10.376
  181   HG12  ILE  24          HG12      ILE  24  -6.147 -12.994  -9.018
  182   HG13  ILE  24          HG13      ILE  24  -4.547 -12.799  -8.279
  183   HG21  ILE  24          HG21      ILE  24  -4.661 -13.218 -12.552
  184   HG22  ILE  24          HG22      ILE  24  -6.199 -13.336 -11.689
  185   HG23  ILE  24          HG23      ILE  24  -5.329 -11.785 -11.798
  186   HD11  ILE  24          HD11      ILE  24  -4.263 -10.599  -9.369
  187   HD12  ILE  24          HD12      ILE  24  -5.920 -10.712 -10.010
  188   HD13  ILE  24          HD13      ILE  24  -5.650 -10.666  -8.268
  189    HA   PRO  25           HA       PRO  25  -1.580 -17.020 -12.617
  190    HB2  PRO  25           HB2      PRO  25  -2.781 -18.034 -14.889
  191    HB3  PRO  25           HB3      PRO  25  -2.864 -18.806 -13.276
  192    HG2  PRO  25           HG2      PRO  25  -4.919 -17.021 -14.600
  193    HG3  PRO  25           HG3      PRO  25  -5.188 -18.557 -13.721
  194    HD2  PRO  25           HD2      PRO  25  -5.545 -16.104 -12.564
  195    HD3  PRO  25           HD3      PRO  25  -4.946 -17.507 -11.624
  196    H    LEU  26           H        LEU  26  -0.202 -16.401 -14.330
  197    HA   LEU  26           HA       LEU  26  -0.007 -13.746 -14.627
  198    HB2  LEU  26           HB2      LEU  26   1.797 -15.326 -15.113
  199    HB3  LEU  26           HB3      LEU  26   1.005 -15.850 -16.600
  200    HG   LEU  26           HG       LEU  26   1.370 -13.646 -17.638
  201   HD11  LEU  26          HD11      LEU  26   1.200 -12.159 -15.684
  202   HD12  LEU  26          HD12      LEU  26   2.596 -12.949 -14.955
  203   HD13  LEU  26          HD13      LEU  26   2.785 -11.953 -16.424
  204   HD21  LEU  26          HD21      LEU  26   3.890 -14.673 -16.262
  205   HD22  LEU  26          HD22      LEU  26   3.197 -15.311 -17.787
  206   HD23  LEU  26          HD23      LEU  26   3.847 -13.667 -17.710
  207    H    LYS  27           H        LYS  27  -1.614 -15.801 -17.002
  208    HA   LYS  27           HA       LYS  27  -1.885 -13.723 -18.941
  209    HB2  LYS  27           HB2      LYS  27  -2.730 -15.355 -20.222
  210    HB3  LYS  27           HB3      LYS  27  -1.950 -16.387 -19.009
  211    HG2  LYS  27           HG2      LYS  27  -4.146 -16.601 -17.805
  212    HG3  LYS  27           HG3      LYS  27  -4.843 -15.540 -19.049
  213    HD2  LYS  27           HD2      LYS  27  -3.589 -17.354 -20.686
  214    HD3  LYS  27           HD3      LYS  27  -3.900 -18.400 -19.264
  215    HE2  LYS  27           HE2      LYS  27  -6.223 -17.643 -19.194
  216    HE3  LYS  27           HE3      LYS  27  -5.886 -16.385 -20.401
  217    HZ1  LYS  27           HZ1      LYS  27  -5.513 -17.976 -22.040
  218    HZ2  LYS  27           HZ2      LYS  27  -5.746 -19.240 -20.993
  219    HZ3  LYS  27           HZ3      LYS  27  -7.003 -18.223 -21.374
  220    H    GLU  28           H        GLU  28  -3.890 -14.556 -16.103
  221    HA   GLU  28           HA       GLU  28  -6.080 -12.762 -16.956
  222    HB2  GLU  28           HB2      GLU  28  -5.596 -14.748 -14.774
  223    HB3  GLU  28           HB3      GLU  28  -6.353 -13.250 -14.236
  224    HG2  GLU  28           HG2      GLU  28  -8.131 -13.443 -15.858
  225    HG3  GLU  28           HG3      GLU  28  -7.400 -14.907 -16.550
  226    H    VAL  29           H        VAL  29  -3.168 -12.828 -14.828
  227    HA   VAL  29           HA       VAL  29  -3.796 -10.634 -13.270
  228    HB   VAL  29           HB       VAL  29  -1.578 -12.335 -13.609
  229   HG11  VAL  29          HG11      VAL  29  -0.302 -10.649 -14.975
  230   HG12  VAL  29          HG12      VAL  29  -0.506  -9.487 -13.645
  231   HG13  VAL  29          HG13      VAL  29   0.420 -10.974 -13.389
  232   HG21  VAL  29          HG21      VAL  29  -1.932  -9.967 -11.727
  233   HG22  VAL  29          HG22      VAL  29  -2.620 -11.572 -11.593
  234   HG23  VAL  29          HG23      VAL  29  -0.879 -11.385 -11.465
  235    H    LYS  30           H        LYS  30  -2.439 -10.641 -16.491
  236    HA   LYS  30           HA       LYS  30  -1.687  -7.911 -16.607
  237    HB2  LYS  30           HB2      LYS  30  -1.164 -10.027 -18.055
  238    HB3  LYS  30           HB3      LYS  30  -2.667  -9.616 -18.917
  239    HG2  LYS  30           HG2      LYS  30  -1.643  -7.295 -19.324
  240    HG3  LYS  30           HG3      LYS  30  -0.167  -7.907 -18.538
  241    HD2  LYS  30           HD2      LYS  30  -0.359  -9.903 -20.192
  242    HD3  LYS  30           HD3      LYS  30  -1.633  -8.932 -20.981
  243    HE2  LYS  30           HE2      LYS  30   0.402  -7.087 -20.706
  244    HE3  LYS  30           HE3      LYS  30   1.332  -8.589 -20.869
  245    HZ1  LYS  30           HZ1      LYS  30  -0.081  -9.061 -22.832
  246    HZ2  LYS  30           HZ2      LYS  30  -0.734  -7.561 -22.705
  247    HZ3  LYS  30           HZ3      LYS  30   0.885  -7.724 -23.047
  248    H    GLU  31           H        GLU  31  -4.828  -9.217 -16.461
  249    HA   GLU  31           HA       GLU  31  -5.927  -6.605 -17.401
  250    HB2  GLU  31           HB2      GLU  31  -6.594  -9.357 -18.121
  251    HB3  GLU  31           HB3      GLU  31  -7.936  -8.694 -17.171
  252    HG2  GLU  31           HG2      GLU  31  -7.899  -6.635 -18.545
  253    HG3  GLU  31           HG3      GLU  31  -6.530  -7.285 -19.475
  254    H    ARG  32           H        ARG  32  -6.278  -9.311 -15.181
  255    HA   ARG  32           HA       ARG  32  -8.289  -8.066 -13.677
  256    HB2  ARG  32           HB2      ARG  32  -7.707 -10.529 -14.150
  257    HB3  ARG  32           HB3      ARG  32  -6.465 -10.371 -12.894
  258    HG2  ARG  32           HG2      ARG  32  -8.096  -9.909 -11.229
  259    HG3  ARG  32           HG3      ARG  32  -9.388  -9.651 -12.427
  260    HD2  ARG  32           HD2      ARG  32  -9.658 -11.908 -12.873
  261    HD3  ARG  32           HD3      ARG  32  -7.985 -12.314 -12.448
  262    HE   ARG  32           HE       ARG  32  -9.518 -11.190 -10.281
  263   HH11  ARG  32          HH11      ARG  32  -8.819 -14.324 -11.889
  264   HH12  ARG  32          HH12      ARG  32  -9.010 -15.248 -10.460
  265   HH21  ARG  32          HH21      ARG  32  -9.956 -12.335  -8.509
  266   HH22  ARG  32          HH22      ARG  32  -9.785 -14.056  -8.450
  267    H    ILE  33           H        ILE  33  -4.779  -7.771 -13.397
  268    HA   ILE  33           HA       ILE  33  -4.735  -7.043 -10.648
  269    HB   ILE  33           HB       ILE  33  -2.703  -7.526 -12.100
  270   HG12  ILE  33          HG12      ILE  33  -1.282  -5.708 -10.992
  271   HG13  ILE  33          HG13      ILE  33  -2.779  -5.079 -10.318
  272   HG21  ILE  33          HG21      ILE  33  -3.233  -6.049 -14.035
  273   HG22  ILE  33          HG22      ILE  33  -3.060  -4.635 -12.992
  274   HG23  ILE  33          HG23      ILE  33  -1.673  -5.660 -13.313
  275   HD11  ILE  33          HD11      ILE  33  -3.160  -7.305  -9.197
  276   HD12  ILE  33          HD12      ILE  33  -1.649  -7.892  -9.925
  277   HD13  ILE  33          HD13      ILE  33  -1.613  -6.577  -8.737
  278    H    ALA  34           H        ALA  34  -5.748  -5.271 -13.591
  279    HA   ALA  34           HA       ALA  34  -5.749  -2.671 -12.414
  280    HB1  ALA  34           HB1      ALA  34  -5.911  -3.056 -14.854
  281    HB2  ALA  34           HB2      ALA  34  -7.500  -3.831 -14.635
  282    HB3  ALA  34           HB3      ALA  34  -7.300  -2.113 -14.266
  283    H    THR  35           H        THR  35  -8.033  -5.368 -12.122
  284    HA   THR  35           HA       THR  35 -10.070  -3.710 -10.863
  285    HB   THR  35           HB       THR  35  -9.924  -6.748 -10.921
  286    HG1  THR  35           HG1      THR  35 -11.004  -6.529 -13.007
  287   HG21  THR  35          HG21      THR  35 -11.846  -5.754  -9.751
  288   HG22  THR  35          HG22      THR  35 -12.243  -4.787 -11.185
  289   HG23  THR  35          HG23      THR  35 -12.380  -6.563 -11.235
  290    H    ALA  36           H        ALA  36  -7.454  -5.944  -9.901
  291    HA   ALA  36           HA       ALA  36  -8.415  -6.140  -7.139
  292    HB1  ALA  36           HB1      ALA  36  -7.371  -8.065  -8.270
  293    HB2  ALA  36           HB2      ALA  36  -5.875  -7.136  -8.511
  294    HB3  ALA  36           HB3      ALA  36  -6.399  -7.564  -6.868
  295    H    VAL  37           H        VAL  37  -6.005  -4.268  -8.910
  296    HA   VAL  37           HA       VAL  37  -5.184  -2.786  -6.501
  297    HB   VAL  37           HB       VAL  37  -3.176  -3.957  -8.466
  298   HG11  VAL  37          HG11      VAL  37  -2.483  -1.948  -7.221
  299   HG12  VAL  37          HG12      VAL  37  -2.922  -2.717  -5.691
  300   HG13  VAL  37          HG13      VAL  37  -1.580  -3.354  -6.670
  301   HG21  VAL  37          HG21      VAL  37  -3.926  -5.142  -5.776
  302   HG22  VAL  37          HG22      VAL  37  -4.096  -5.920  -7.364
  303   HG23  VAL  37          HG23      VAL  37  -2.488  -5.569  -6.734
  304    HA   PRO  38           HA       PRO  38  -6.068  -0.426 -10.466
  305    HB2  PRO  38           HB2      PRO  38  -7.686   1.547  -9.371
  306    HB3  PRO  38           HB3      PRO  38  -8.271   0.000 -10.049
  307    HG2  PRO  38           HG2      PRO  38  -7.775   0.714  -7.155
  308    HG3  PRO  38           HG3      PRO  38  -9.144  -0.206  -7.863
  309    HD2  PRO  38           HD2      PRO  38  -7.018  -1.422  -6.637
  310    HD3  PRO  38           HD3      PRO  38  -7.864  -2.161  -8.031
  311    H    ASP  39           H        ASP  39  -4.992   0.461  -7.235
  312    HA   ASP  39           HA       ASP  39  -3.739   2.998  -7.953
  313    HB2  ASP  39           HB2      ASP  39  -4.511   2.572  -5.641
  314    HB3  ASP  39           HB3      ASP  39  -3.372   1.230  -5.508
  315    H    LYS  40           H        LYS  40  -2.306   2.649  -9.574
  316    HA   LYS  40           HA       LYS  40  -0.564   0.465  -9.857
  317    HB2  LYS  40           HB2      LYS  40  -0.354   3.368 -10.817
  318    HB3  LYS  40           HB3      LYS  40   0.705   2.073 -11.390
  319    HG2  LYS  40           HG2      LYS  40  -1.580   0.746 -11.709
  320    HG3  LYS  40           HG3      LYS  40  -2.287   2.372 -11.695
  321    HD2  LYS  40           HD2      LYS  40  -0.881   2.986 -13.631
  322    HD3  LYS  40           HD3      LYS  40  -0.130   1.348 -13.596
  323    HE2  LYS  40           HE2      LYS  40  -2.311   0.280 -13.712
  324    HE3  LYS  40           HE3      LYS  40  -3.137   1.838 -13.614
  325    HZ1  LYS  40           HZ1      LYS  40  -2.201   2.402 -15.762
  326    HZ2  LYS  40           HZ2      LYS  40  -1.392   0.960 -15.857
  327    HZ3  LYS  40           HZ3      LYS  40  -3.053   1.006 -15.865
  328    H    ASN  41           H        ASN  41  -0.250   2.834  -7.436
  329    HA   ASN  41           HA       ASN  41   2.697   2.648  -7.339
  330    HB2  ASN  41           HB2      ASN  41   1.349   4.801  -7.008
  331    HB3  ASN  41           HB3      ASN  41   0.761   4.104  -5.497
  332   HD21  ASN  41          HD22      ASN  41   2.357   3.717  -3.814
  333   HD22  ASN  41          HD21      ASN  41   3.903   4.541  -3.835
  334    H    ASP  42           H        ASP  42   0.025   0.768  -6.215
  335    HA   ASP  42           HA       ASP  42   1.088   0.100  -3.653
  336    HB2  ASP  42           HB2      ASP  42  -1.247  -0.529  -4.885
  337    HB3  ASP  42           HB3      ASP  42  -0.338  -2.023  -5.176
  338    H    THR  43           H        THR  43   2.627  -1.490  -2.993
  339    HA   THR  43           HA       THR  43   4.385  -2.332  -5.021
  340    HB   THR  43           HB       THR  43   4.415  -3.214  -2.160
  341    HG1  THR  43           HG1      THR  43   5.791  -1.610  -1.852
  342   HG21  THR  43          HG21      THR  43   5.778  -4.661  -3.669
  343   HG22  THR  43          HG22      THR  43   6.597  -3.223  -4.302
  344   HG23  THR  43          HG23      THR  43   6.798  -3.692  -2.594
  345    H    VAL  44           H        VAL  44   3.367  -3.639  -6.559
  346    HA   VAL  44           HA       VAL  44   1.961  -6.058  -5.653
  347    HB   VAL  44           HB       VAL  44   2.763  -5.307  -8.501
  348   HG11  VAL  44          HG11      VAL  44   2.185  -7.715  -8.115
  349   HG12  VAL  44          HG12      VAL  44   0.662  -7.193  -7.365
  350   HG13  VAL  44          HG13      VAL  44   0.948  -6.899  -9.084
  351   HG21  VAL  44          HG21      VAL  44   0.145  -4.795  -7.020
  352   HG22  VAL  44          HG22      VAL  44   1.276  -3.554  -7.580
  353   HG23  VAL  44          HG23      VAL  44   0.415  -4.543  -8.764
  354    H    LYS  45           H        LYS  45   3.327  -7.464  -4.632
  355    HA   LYS  45           HA       LYS  45   5.967  -8.121  -5.771
  356    HB2  LYS  45           HB2      LYS  45   4.444  -9.382  -3.432
  357    HB3  LYS  45           HB3      LYS  45   6.114  -9.712  -3.918
  358    HG2  LYS  45           HG2      LYS  45   6.395  -7.095  -3.722
  359    HG3  LYS  45           HG3      LYS  45   4.923  -7.179  -2.749
  360    HD2  LYS  45           HD2      LYS  45   6.007  -8.617  -1.143
  361    HD3  LYS  45           HD3      LYS  45   7.464  -8.776  -2.175
  362    HE2  LYS  45           HE2      LYS  45   7.672  -6.251  -2.100
  363    HE3  LYS  45           HE3      LYS  45   6.300  -6.224  -0.993
  364    HZ1  LYS  45           HZ1      LYS  45   7.566  -7.419   0.607
  365    HZ2  LYS  45           HZ2      LYS  45   8.916  -7.454  -0.405
  366    HZ3  LYS  45           HZ3      LYS  45   8.288  -6.051   0.208
  367    H    VAL  46           H        VAL  46   6.145  -9.611  -7.393
  368    HA   VAL  46           HA       VAL  46   3.840 -11.468  -7.809
  369    HB   VAL  46           HB       VAL  46   4.734 -11.696 -10.121
  370   HG11  VAL  46          HG11      VAL  46   2.827 -10.249  -9.601
  371   HG12  VAL  46          HG12      VAL  46   3.918  -8.888  -9.261
  372   HG13  VAL  46          HG13      VAL  46   3.799  -9.550 -10.905
  373   HG21  VAL  46          HG21      VAL  46   6.447  -9.263  -9.441
  374   HG22  VAL  46          HG22      VAL  46   7.063 -10.898  -9.797
  375   HG23  VAL  46          HG23      VAL  46   6.213  -9.970 -11.036
  376    H    TYR  47           H        TYR  47   4.132 -13.656  -7.702
  377    HA   TYR  47           HA       TYR  47   6.879 -14.709  -7.815
  378    HB2  TYR  47           HB2      TYR  47   6.843 -15.897  -5.850
  379    HB3  TYR  47           HB3      TYR  47   6.383 -14.262  -5.408
  380    HD1  TYR  47           HD2      TYR  47   3.966 -13.744  -4.890
  381    HD2  TYR  47           HD1      TYR  47   5.423 -17.770  -5.366
  382    HE1  TYR  47           HE2      TYR  47   2.038 -14.595  -3.588
  383    HE2  TYR  47           HE1      TYR  47   3.466 -18.640  -4.135
  384    HH   TYR  47           HH       TYR  47   1.453 -18.054  -3.057
  385    H    CYS  48           H        CYS  48   6.861 -17.155  -7.898
  386    HA   CYS  48           HA       CYS  48   4.365 -18.335  -8.644
  387    HB2  CYS  48           HB2      CYS  48   4.802 -18.905 -10.929
  388    HB3  CYS  48           HB3      CYS  48   5.130 -17.184 -10.776
  389    HG   CYS  48           HG       CYS  48   6.811 -18.195 -12.413
  390    H    ASN  49           H        ASN  49   5.869 -20.659 -10.007
  391    HA   ASN  49           HA       ASN  49   6.495 -22.064  -7.551
  392    HB2  ASN  49           HB2      ASN  49   5.669 -23.201  -9.590
  393    HB3  ASN  49           HB3      ASN  49   7.169 -22.812 -10.431
  394   HD21  ASN  49          HD22      ASN  49   5.607 -25.247  -8.835
  395   HD22  ASN  49          HD21      ASN  49   7.012 -26.168  -8.305
  396    H    ALA  50           H        ALA  50   8.510 -20.569 -10.128
  397    HA   ALA  50           HA       ALA  50  10.891 -21.063  -8.375
  398    HB1  ALA  50           HB1      ALA  50  10.749 -22.884  -9.950
  399    HB2  ALA  50           HB2      ALA  50  10.578 -21.754 -11.322
  400    HB3  ALA  50           HB3      ALA  50  12.096 -21.823 -10.400
  401    H    GLY  51           H        GLY  51   9.383 -18.725 -10.505
  402    HA2  GLY  51           HA2      GLY  51  10.310 -16.493  -9.886
  403    HA3  GLY  51           HA3      GLY  51  11.905 -17.117 -10.307
  404    H    ARG  52           H        ARG  52  10.819 -18.658 -12.632
  405    HA   ARG  52           HA       ARG  52  11.565 -16.640 -14.409
  406    HB2  ARG  52           HB2      ARG  52  11.555 -18.269 -16.029
  407    HB3  ARG  52           HB3      ARG  52  11.869 -19.140 -14.516
  408    HG2  ARG  52           HG2      ARG  52   9.441 -19.831 -14.451
  409    HG3  ARG  52           HG3      ARG  52   9.239 -18.996 -16.024
  410    HD2  ARG  52           HD2      ARG  52  11.333 -20.313 -16.786
  411    HD3  ARG  52           HD3      ARG  52  11.044 -21.341 -15.344
  412    HE   ARG  52           HE       ARG  52   8.611 -20.858 -16.632
  413   HH11  ARG  52          HH11      ARG  52  11.646 -22.473 -17.476
  414   HH12  ARG  52          HH12      ARG  52  10.921 -23.594 -18.569
  415   HH21  ARG  52          HH21      ARG  52   7.632 -22.113 -17.935
  416   HH22  ARG  52          HH22      ARG  52   8.367 -23.377 -18.853
  417    H    GLN  53           H        GLN  53   8.299 -17.855 -13.718
  418    HA   GLN  53           HA       GLN  53   7.082 -16.283 -15.846
  419    HB2  GLN  53           HB2      GLN  53   6.297 -18.487 -15.156
  420    HB3  GLN  53           HB3      GLN  53   5.843 -17.890 -13.566
  421    HG2  GLN  53           HG2      GLN  53   4.053 -16.604 -14.382
  422    HG3  GLN  53           HG3      GLN  53   4.626 -16.728 -16.062
  423   HE21  GLN  53          HE22      GLN  53   2.108 -17.881 -14.210
  424   HE22  GLN  53          HE21      GLN  53   1.973 -19.432 -15.026
  425    H    SER  54           H        SER  54   7.646 -15.896 -12.302
  426    HA   SER  54           HA       SER  54   6.135 -13.462 -12.104
  427    HB2  SER  54           HB2      SER  54   7.708 -13.286 -10.004
  428    HB3  SER  54           HB3      SER  54   6.381 -14.445 -10.080
  429    HG   SER  54           HG       SER  54   8.448 -15.320  -9.364
  430    H    GLY  55           H        GLY  55   9.506 -14.270 -13.080
  431    HA2  GLY  55           HA2      GLY  55  10.563 -11.641 -12.994
  432    HA3  GLY  55           HA3      GLY  55  11.092 -12.964 -14.067
  433    H    GLN  56           H        GLN  56   9.003 -13.526 -15.625
  434    HA   GLN  56           HA       GLN  56   8.807 -11.401 -17.416
  435    HB2  GLN  56           HB2      GLN  56   7.633 -14.079 -17.064
  436    HB3  GLN  56           HB3      GLN  56   6.441 -13.012 -17.710
  437    HG2  GLN  56           HG2      GLN  56   8.776 -14.285 -18.968
  438    HG3  GLN  56           HG3      GLN  56   7.161 -13.966 -19.557
  439   HE21  GLN  56          HE22      GLN  56   8.929 -10.840 -18.844
  440   HE22  GLN  56          HE21      GLN  56   9.400 -10.707 -20.498
  441    H    ALA  57           H        ALA  57   6.478 -12.451 -14.884
  442    HA   ALA  57           HA       ALA  57   4.482 -10.580 -15.479
  443    HB1  ALA  57           HB1      ALA  57   4.282 -12.453 -13.856
  444    HB2  ALA  57           HB2      ALA  57   5.299 -11.562 -12.721
  445    HB3  ALA  57           HB3      ALA  57   3.723 -10.898 -13.185
  446    H    LYS  58           H        LYS  58   7.477 -10.107 -13.521
  447    HA   LYS  58           HA       LYS  58   6.687  -7.569 -12.512
  448    HB2  LYS  58           HB2      LYS  58   8.587  -8.667 -11.526
  449    HB3  LYS  58           HB3      LYS  58   9.460  -8.725 -13.072
  450    HG2  LYS  58           HG2      LYS  58   9.804  -6.394 -13.138
  451    HG3  LYS  58           HG3      LYS  58   8.546  -6.072 -11.931
  452    HD2  LYS  58           HD2      LYS  58   9.885  -6.918 -10.158
  453    HD3  LYS  58           HD3      LYS  58  11.160  -7.472 -11.274
  454    HE2  LYS  58           HE2      LYS  58  10.355  -4.653 -11.692
  455    HE3  LYS  58           HE3      LYS  58  10.903  -4.923 -10.038
  456    HZ1  LYS  58           HZ1      LYS  58  12.944  -5.841 -10.919
  457    HZ2  LYS  58           HZ2      LYS  58  12.441  -5.612 -12.479
  458    HZ3  LYS  58           HZ3      LYS  58  12.721  -4.317 -11.498
  459    H    GLU  59           H        GLU  59   8.329  -8.519 -15.553
  460    HA   GLU  59           HA       GLU  59   8.849  -5.844 -16.441
  461    HB2  GLU  59           HB2      GLU  59   8.530  -8.447 -17.996
  462    HB3  GLU  59           HB3      GLU  59   9.237  -6.955 -18.616
  463    HG2  GLU  59           HG2      GLU  59  10.496  -7.656 -16.055
  464    HG3  GLU  59           HG3      GLU  59  10.494  -9.066 -17.111
  465    H    ILE  60           H        ILE  60   6.274  -8.200 -17.121
  466    HA   ILE  60           HA       ILE  60   4.802  -6.686 -18.970
  467    HB   ILE  60           HB       ILE  60   4.218  -8.931 -17.021
  468   HG12  ILE  60          HG12      ILE  60   4.047  -8.797 -20.066
  469   HG13  ILE  60          HG13      ILE  60   5.521  -9.219 -19.204
  470   HG21  ILE  60          HG21      ILE  60   2.101  -7.710 -17.055
  471   HG22  ILE  60          HG22      ILE  60   2.138  -7.670 -18.831
  472   HG23  ILE  60          HG23      ILE  60   1.942  -9.209 -17.935
  473   HD11  ILE  60          HD11      ILE  60   4.416 -11.181 -18.195
  474   HD12  ILE  60          HD12      ILE  60   2.924 -10.811 -19.094
  475   HD13  ILE  60          HD13      ILE  60   4.401 -11.233 -19.968
  476    H    LEU  61           H        LEU  61   4.539  -6.757 -15.349
  477    HA   LEU  61           HA       LEU  61   2.389  -4.831 -15.398
  478    HB2  LEU  61           HB2      LEU  61   4.208  -5.772 -13.154
  479    HB3  LEU  61           HB3      LEU  61   2.857  -4.661 -12.931
  480    HG   LEU  61           HG       LEU  61   2.689  -7.571 -13.812
  481   HD11  LEU  61          HD11      LEU  61   3.056  -7.183 -11.396
  482   HD12  LEU  61          HD12      LEU  61   1.649  -6.104 -11.346
  483   HD13  LEU  61          HD13      LEU  61   1.441  -7.834 -11.703
  484   HD21  LEU  61          HD21      LEU  61   0.455  -5.533 -13.563
  485   HD22  LEU  61          HD22      LEU  61   0.963  -6.361 -15.055
  486   HD23  LEU  61          HD23      LEU  61   0.231  -7.293 -13.762
  487    H    SER  62           H        SER  62   5.952  -4.513 -15.103
  488    HA   SER  62           HA       SER  62   5.930  -1.715 -14.507
  489    HB2  SER  62           HB2      SER  62   7.928  -3.335 -16.149
  490    HB3  SER  62           HB3      SER  62   8.191  -1.712 -15.500
  491    HG   SER  62           HG       SER  62   8.988  -3.633 -14.325
  492    H    GLU  63           H        GLU  63   5.739  -3.562 -17.612
  493    HA   GLU  63           HA       GLU  63   5.648  -1.267 -19.240
  494    HB2  GLU  63           HB2      GLU  63   5.619  -4.114 -19.617
  495    HB3  GLU  63           HB3      GLU  63   4.126  -3.535 -20.373
  496    HG2  GLU  63           HG2      GLU  63   5.406  -1.697 -21.456
  497    HG3  GLU  63           HG3      GLU  63   6.893  -2.274 -20.683
  498    H    MET  64           H        MET  64   3.068  -3.035 -17.644
  499    HA   MET  64           HA       MET  64   0.930  -1.421 -18.696
  500    HB2  MET  64           HB2      MET  64   1.183  -3.135 -16.188
  501    HB3  MET  64           HB3      MET  64  -0.312  -2.343 -16.701
  502    HG2  MET  64           HG2      MET  64  -0.081  -3.504 -18.935
  503    HG3  MET  64           HG3      MET  64   1.288  -4.374 -18.297
  504    HE1  MET  64           HE1      MET  64  -1.809  -3.846 -15.778
  505    HE2  MET  64           HE2      MET  64  -2.524  -3.632 -17.404
  506    HE3  MET  64           HE3      MET  64  -2.906  -5.064 -16.424
  507    H    GLY  65           H        GLY  65   3.487  -0.475 -16.755
  508    HA2  GLY  65           HA2      GLY  65   3.905   1.645 -16.059
  509    HA3  GLY  65           HA3      GLY  65   2.200   2.077 -16.288
  510    H    TYR  66           H        TYR  66   2.903  -0.766 -14.317
  511    HA   TYR  66           HA       TYR  66   1.976   0.537 -11.860
  512    HB2  TYR  66           HB2      TYR  66   3.044  -2.218 -12.486
  513    HB3  TYR  66           HB3      TYR  66   2.842  -1.628 -10.838
  514    HD1  TYR  66           HD1      TYR  66   0.897  -1.994 -14.037
  515    HD2  TYR  66           HD2      TYR  66   0.795  -1.877  -9.723
  516    HE1  TYR  66           HE1      TYR  66  -1.560  -2.312 -14.090
  517    HE2  TYR  66           HE2      TYR  66  -1.649  -2.219  -9.764
  518    HH   TYR  66           HH       TYR  66  -3.511  -2.456 -12.830
  519    H    THR  67           H        THR  67   3.242   1.637 -10.455
  520    HA   THR  67           HA       THR  67   5.952   2.188 -11.414
  521    HB   THR  67           HB       THR  67   5.641   4.122  -9.733
  522    HG1  THR  67           HG1      THR  67   3.597   4.471  -9.006
  523   HG21  THR  67          HG21      THR  67   5.272   4.390 -12.194
  524   HG22  THR  67          HG22      THR  67   3.588   3.866 -11.979
  525   HG23  THR  67          HG23      THR  67   4.148   5.376 -11.237
  526    H    HIS  68           H        HIS  68   4.597   0.178  -9.039
  527    HA   HIS  68           HA       HIS  68   7.145   0.049  -7.517
  528    HB2  HIS  68           HB2      HIS  68   4.512   0.968  -6.638
  529    HB3  HIS  68           HB3      HIS  68   4.986  -0.419  -5.707
  530    HD1  HIS  68           HD1      HIS  68   6.515  -0.030  -3.757
  531    HD2  HIS  68           HD2      HIS  68   6.469   3.063  -6.604
  532    HE1  HIS  68           HE1      HIS  68   7.896   1.911  -2.770
  533    H    VAL  69           H        VAL  69   6.854  -1.736  -9.534
  534    HA   VAL  69           HA       VAL  69   5.532  -4.167  -8.495
  535    HB   VAL  69           HB       VAL  69   7.487  -4.056 -10.804
  536   HG11  VAL  69          HG11      VAL  69   6.531  -6.269 -10.121
  537   HG12  VAL  69          HG12      VAL  69   4.894  -5.601 -10.319
  538   HG13  VAL  69          HG13      VAL  69   5.962  -5.748 -11.727
  539   HG21  VAL  69          HG21      VAL  69   4.565  -3.207 -10.920
  540   HG22  VAL  69          HG22      VAL  69   5.971  -2.169 -11.271
  541   HG23  VAL  69          HG23      VAL  69   5.612  -3.503 -12.334
  542    H    GLU  70           H        GLU  70   6.708  -5.974  -7.615
  543    HA   GLU  70           HA       GLU  70   9.666  -5.736  -7.560
  544    HB2  GLU  70           HB2      GLU  70   8.839  -4.923  -5.366
  545    HB3  GLU  70           HB3      GLU  70   7.960  -6.436  -5.152
  546    HG2  GLU  70           HG2      GLU  70   9.821  -7.312  -4.203
  547    HG3  GLU  70           HG3      GLU  70  10.585  -7.281  -5.779
  548    H    ASN  71           H        ASN  71  10.642  -7.765  -7.786
  549    HA   ASN  71           HA       ASN  71   8.865 -10.068  -8.443
  550    HB2  ASN  71           HB2      ASN  71  10.623  -9.477 -10.140
  551    HB3  ASN  71           HB3      ASN  71  11.864  -9.709  -8.886
  552   HD21  ASN  71          HD22      ASN  71   9.234 -11.382 -10.710
  553   HD22  ASN  71          HD21      ASN  71   9.965 -12.959 -10.501
  554    H    ALA  72           H        ALA  72   8.618 -11.540  -6.852
  555    HA   ALA  72           HA       ALA  72  10.488 -11.482  -4.535
  556    HB1  ALA  72           HB1      ALA  72   8.126 -11.049  -4.015
  557    HB2  ALA  72           HB2      ALA  72   7.656 -12.571  -4.805
  558    HB3  ALA  72           HB3      ALA  72   8.651 -12.603  -3.338
  559    H    GLY  73           H        GLY  73  10.320 -13.162  -7.366
  560    HA2  GLY  73           HA2      GLY  73  11.620 -14.994  -7.913
  561    HA3  GLY  73           HA3      GLY  73  11.857 -15.336  -6.191
  562    H    GLY  74           H        GLY  74  11.102 -17.364  -5.782
  563    HA2  GLY  74           HA2      GLY  74   8.404 -18.080  -6.721
  564    HA3  GLY  74           HA3      GLY  74   9.743 -19.178  -7.096
  565    H    LEU  75           H        LEU  75   7.572 -19.914  -5.625
  566    HA   LEU  75           HA       LEU  75   7.377 -19.276  -3.040
  567    HB2  LEU  75           HB2      LEU  75   5.941 -20.682  -4.673
  568    HB3  LEU  75           HB3      LEU  75   6.874 -22.076  -4.155
  569    HG   LEU  75           HG       LEU  75   5.897 -22.179  -2.068
  570   HD11  LEU  75          HD11      LEU  75   6.349 -19.767  -1.337
  571   HD12  LEU  75          HD12      LEU  75   4.871 -19.312  -2.195
  572   HD13  LEU  75          HD13      LEU  75   4.805 -20.464  -0.860
  573   HD21  LEU  75          HD21      LEU  75   3.895 -20.924  -3.973
  574   HD22  LEU  75          HD22      LEU  75   4.004 -22.623  -3.435
  575   HD23  LEU  75          HD23      LEU  75   3.426 -21.391  -2.338
  576    H    LYS  76           H        LYS  76   9.690 -21.485  -4.281
  577    HA   LYS  76           HA       LYS  76  10.279 -22.997  -1.885
  578    HB2  LYS  76           HB2      LYS  76  12.118 -22.339  -4.216
  579    HB3  LYS  76           HB3      LYS  76  12.148 -23.759  -3.136
  580    HG2  LYS  76           HG2      LYS  76   9.993 -24.498  -4.044
  581    HG3  LYS  76           HG3      LYS  76   9.925 -23.095  -5.155
  582    HD2  LYS  76           HD2      LYS  76  11.421 -23.872  -6.543
  583    HD3  LYS  76           HD3      LYS  76  12.616 -24.241  -5.275
  584    HE2  LYS  76           HE2      LYS  76  11.528 -26.249  -4.633
  585    HE3  LYS  76           HE3      LYS  76  10.156 -25.919  -5.739
  586    HZ1  LYS  76           HZ1      LYS  76  11.724 -25.768  -7.521
  587    HZ2  LYS  76           HZ2      LYS  76  12.986 -26.117  -6.522
  588    HZ3  LYS  76           HZ3      LYS  76  11.847 -27.290  -6.849
  589    H    ASP  77           H        ASP  77  11.390 -19.962  -3.281
  590    HA   ASP  77           HA       ASP  77  13.839 -19.946  -1.599
  591    HB2  ASP  77           HB2      ASP  77  14.090 -19.515  -4.009
  592    HB3  ASP  77           HB3      ASP  77  12.922 -18.192  -3.918
  593    H    ILE  78           H        ILE  78  10.659 -18.522  -2.112
  594    HA   ILE  78           HA       ILE  78  10.956 -16.288  -0.339
  595    HB   ILE  78           HB       ILE  78   8.515 -17.904  -1.210
  596   HG12  ILE  78          HG12      ILE  78   9.434 -15.132  -2.106
  597   HG13  ILE  78          HG13      ILE  78   9.808 -16.597  -2.994
  598   HG21  ILE  78          HG21      ILE  78   8.058 -16.742   0.933
  599   HG22  ILE  78          HG22      ILE  78   8.608 -15.207   0.223
  600   HG23  ILE  78          HG23      ILE  78   7.139 -16.010  -0.362
  601   HD11  ILE  78          HD11      ILE  78   7.395 -17.078  -3.286
  602   HD12  ILE  78          HD12      ILE  78   6.999 -15.547  -2.480
  603   HD13  ILE  78          HD13      ILE  78   7.921 -15.532  -3.985
  604    H    ALA  79           H        ALA  79  11.225 -16.443   1.812
  605    HA   ALA  79           HA       ALA  79  10.501 -18.967   3.201
  606    HB1  ALA  79           HB1      ALA  79  12.855 -18.565   3.097
  607    HB2  ALA  79           HB2      ALA  79  12.666 -16.898   3.688
  608    HB3  ALA  79           HB3      ALA  79  12.316 -18.273   4.769
  609    H    MET  80           H        MET  80   8.437 -17.381   2.710
  610    HA   MET  80           HA       MET  80   7.827 -15.844   5.187
  611    HB2  MET  80           HB2      MET  80   6.480 -16.014   2.464
  612    HB3  MET  80           HB3      MET  80   5.734 -15.191   3.815
  613    HG2  MET  80           HG2      MET  80   8.564 -14.450   3.225
  614    HG3  MET  80           HG3      MET  80   7.425 -14.054   1.963
  615    HE1  MET  80           HE1      MET  80   4.909 -12.662   3.132
  616    HE2  MET  80           HE2      MET  80   5.080 -13.034   4.872
  617    HE3  MET  80           HE3      MET  80   5.234 -11.368   4.302
  618    HA   PRO  81           HA       PRO  81   5.215 -19.170   6.618
  619    HB2  PRO  81           HB2      PRO  81   2.887 -17.352   6.885
  620    HB3  PRO  81           HB3      PRO  81   3.734 -18.296   8.141
  621    HG2  PRO  81           HG2      PRO  81   3.923 -15.515   7.743
  622    HG3  PRO  81           HG3      PRO  81   5.100 -16.511   8.651
  623    HD2  PRO  81           HD2      PRO  81   5.367 -15.280   5.991
  624    HD3  PRO  81           HD3      PRO  81   6.626 -15.943   7.071
  625    H    LYS  82           H        LYS  82   3.498 -20.523   5.927
  626    HA   LYS  82           HA       LYS  82   2.504 -19.923   3.181
  627    HB2  LYS  82           HB2      LYS  82   3.620 -22.559   4.226
  628    HB3  LYS  82           HB3      LYS  82   3.096 -22.210   2.584
  629    HG2  LYS  82           HG2      LYS  82   5.095 -20.249   3.368
  630    HG3  LYS  82           HG3      LYS  82   5.713 -21.866   3.739
  631    HD2  LYS  82           HD2      LYS  82   5.302 -22.473   1.411
  632    HD3  LYS  82           HD3      LYS  82   4.512 -20.930   1.129
  633    HE2  LYS  82           HE2      LYS  82   6.555 -20.231   0.429
  634    HE3  LYS  82           HE3      LYS  82   6.995 -20.131   2.120
  635    HZ1  LYS  82           HZ1      LYS  82   7.993 -22.272   1.942
  636    HZ2  LYS  82           HZ2      LYS  82   7.307 -22.577   0.476
  637    HZ3  LYS  82           HZ3      LYS  82   8.476 -21.430   0.587
  638    H    VAL  83           H        VAL  83   0.784 -21.304   2.535
  639    HA   VAL  83           HA       VAL  83  -0.755 -22.677   4.655
  640    HB   VAL  83           HB       VAL  83  -1.875 -20.929   2.401
  641   HG11  VAL  83          HG11      VAL  83  -3.385 -22.809   2.965
  642   HG12  VAL  83          HG12      VAL  83  -3.273 -22.400   4.694
  643   HG13  VAL  83          HG13      VAL  83  -4.060 -21.290   3.543
  644   HG21  VAL  83          HG21      VAL  83  -1.853 -20.441   5.412
  645   HG22  VAL  83          HG22      VAL  83  -0.942 -19.523   4.197
  646   HG23  VAL  83          HG23      VAL  83  -2.708 -19.445   4.201
  647    H    LYS  84           H        LYS  84  -1.887 -24.521   3.648
  648    HA   LYS  84           HA       LYS  84  -0.838 -25.224   0.968
  649    HB2  LYS  84           HB2      LYS  84  -0.757 -26.932   3.450
  650    HB3  LYS  84           HB3      LYS  84  -0.236 -27.405   1.828
  651    HG2  LYS  84           HG2      LYS  84   1.675 -25.944   1.876
  652    HG3  LYS  84           HG3      LYS  84   1.174 -25.223   3.444
  653    HD2  LYS  84           HD2      LYS  84   1.168 -27.280   4.579
  654    HD3  LYS  84           HD3      LYS  84   1.267 -28.248   3.111
  655    HE2  LYS  84           HE2      LYS  84   3.466 -26.914   4.604
  656    HE3  LYS  84           HE3      LYS  84   3.161 -28.603   4.145
  657    HZ1  LYS  84           HZ1      LYS  84   3.459 -27.784   1.766
  658    HZ2  LYS  84           HZ2      LYS  84   4.165 -26.444   2.379
  659    HZ3  LYS  84           HZ3      LYS  84   4.809 -27.920   2.694
  660    H    GLY  85           H        GLY  85  -1.690 -27.180   0.257
  661    HA2  GLY  85           HA2      GLY  85  -4.429 -26.833  -0.106
  662    HA3  GLY  85           HA3      GLY  85  -3.415 -28.196  -0.672
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1   2.550   0.595   2.161
    2    H2   ALA   1           H2       ALA   1   2.564  -1.040   2.084
    3    H3   ALA   1           H3       ALA   1   3.897  -0.194   1.655
    4    HA   ALA   1           HA       ALA   1   1.318  -0.153   0.245
    5    HB1  ALA   1           HB1      ALA   1   2.455   1.218  -1.457
    6    HB2  ALA   1           HB2      ALA   1   2.460   2.032   0.111
    7    HB3  ALA   1           HB3      ALA   1   3.937   1.241  -0.485
    8    H    GLU   2           H        GLU   2   1.318  -2.521   0.122
    9    HA   GLU   2           HA       GLU   2   3.184  -3.712  -1.802
   10    HB2  GLU   2           HB2      GLU   2   4.458  -3.781   0.290
   11    HB3  GLU   2           HB3      GLU   2   3.073  -4.464   1.151
   12    HG2  GLU   2           HG2      GLU   2   3.253  -6.510  -0.321
   13    HG3  GLU   2           HG3      GLU   2   4.705  -5.805  -1.039
   14    H    HIS   3           H        HIS   3   2.285  -5.591  -2.663
   15    HA   HIS   3           HA       HIS   3   0.010  -6.961  -1.420
   16    HB2  HIS   3           HB2      HIS   3   0.039  -6.121  -4.358
   17    HB3  HIS   3           HB3      HIS   3  -1.151  -7.165  -3.592
   18    HD1  HIS   3           HD1      HIS   3  -2.208  -5.519  -1.195
   19    HD2  HIS   3           HD2      HIS   3  -1.096  -3.904  -4.918
   20    HE1  HIS   3           HE1      HIS   3  -3.460  -3.316  -1.416
   21    H    TRP   4           H        TRP   4  -0.180  -9.165  -2.613
   22    HA   TRP   4           HA       TRP   4   2.369  -9.957  -3.926
   23    HB2  TRP   4           HB2      TRP   4   0.926 -11.344  -1.640
   24    HB3  TRP   4           HB3      TRP   4   2.130 -12.129  -2.648
   25    HD1  TRP   4           HD1      TRP   4   1.878  -9.224  -0.123
   26    HE1  TRP   4           HE1      TRP   4   4.133  -8.866   1.004
   27    HE3  TRP   4           HE3      TRP   4   4.602 -12.700  -2.728
   28    HZ2  TRP   4           HZ2      TRP   4   6.792 -10.054   0.879
   29    HZ3  TRP   4           HZ3      TRP   4   6.969 -13.094  -2.166
   30    HH2  TRP   4           HH2      TRP   4   8.092 -11.757  -0.393
   31    H    ILE   5           H        ILE   5   1.978 -11.102  -5.747
   32    HA   ILE   5           HA       ILE   5  -0.755 -12.193  -6.201
   33    HB   ILE   5           HB       ILE   5   0.847 -10.540  -8.182
   34   HG12  ILE   5          HG12      ILE   5  -0.274  -9.150  -6.398
   35   HG13  ILE   5          HG13      ILE   5  -0.797  -8.831  -8.040
   36   HG21  ILE   5          HG21      ILE   5  -1.869 -11.921  -8.428
   37   HG22  ILE   5          HG22      ILE   5  -1.185 -10.786  -9.619
   38   HG23  ILE   5          HG23      ILE   5  -0.390 -12.334  -9.301
   39   HD11  ILE   5          HD11      ILE   5  -2.614  -8.830  -6.308
   40   HD12  ILE   5          HD12      ILE   5  -2.914  -9.904  -7.682
   41   HD13  ILE   5          HD13      ILE   5  -2.372 -10.580  -6.131
   42    H    ASP   6           H        ASP   6  -0.509 -14.220  -6.345
   43    HA   ASP   6           HA       ASP   6   1.995 -15.582  -7.058
   44    HB2  ASP   6           HB2      ASP   6   0.634 -16.310  -5.163
   45    HB3  ASP   6           HB3      ASP   6  -0.769 -16.417  -6.162
   46    H    VAL   7           H        VAL   7   2.240 -15.101  -9.267
   47    HA   VAL   7           HA       VAL   7   0.028 -15.061 -11.116
   48    HB   VAL   7           HB       VAL   7   1.574 -14.460 -12.785
   49   HG11  VAL   7          HG11      VAL   7   2.562 -12.462 -11.867
   50   HG12  VAL   7          HG12      VAL   7   1.016 -12.735 -11.069
   51   HG13  VAL   7          HG13      VAL   7   2.528 -13.115 -10.224
   52   HG21  VAL   7          HG21      VAL   7   3.913 -15.050 -10.929
   53   HG22  VAL   7          HG22      VAL   7   3.427 -16.083 -12.288
   54   HG23  VAL   7          HG23      VAL   7   3.962 -14.437 -12.594
   55    H    ARG   8           H        ARG   8   1.455 -17.585  -9.708
   56    HA   ARG   8           HA       ARG   8   2.217 -19.434 -11.741
   57    HB2  ARG   8           HB2      ARG   8   2.742 -19.256  -9.223
   58    HB3  ARG   8           HB3      ARG   8   1.075 -19.857  -8.979
   59    HG2  ARG   8           HG2      ARG   8   1.643 -22.012  -9.846
   60    HG3  ARG   8           HG3      ARG   8   3.248 -21.454 -10.361
   61    HD2  ARG   8           HD2      ARG   8   3.006 -22.809  -8.136
   62    HD3  ARG   8           HD3      ARG   8   4.080 -21.423  -8.182
   63    HE   ARG   8           HE       ARG   8   2.061 -20.106  -7.251
   64   HH11  ARG   8          HH11      ARG   8   3.102 -23.348  -6.107
   65   HH12  ARG   8          HH12      ARG   8   2.063 -23.248  -4.712
   66   HH21  ARG   8          HH21      ARG   8   0.750 -20.096  -5.506
   67   HH22  ARG   8          HH22      ARG   8   0.879 -21.361  -4.282
   68    H    VAL   9           H        VAL   9   1.091 -21.475 -12.196
   69    HA   VAL   9           HA       VAL   9  -1.620 -21.179 -12.842
   70    HB   VAL   9           HB       VAL   9  -1.532 -23.670 -13.288
   71   HG11  VAL   9          HG11      VAL   9  -0.846 -22.011 -14.994
   72   HG12  VAL   9          HG12      VAL   9   0.833 -22.110 -14.418
   73   HG13  VAL   9          HG13      VAL   9   0.050 -23.531 -15.132
   74   HG21  VAL   9          HG21      VAL   9   0.055 -24.339 -11.490
   75   HG22  VAL   9          HG22      VAL   9   0.564 -24.890 -13.089
   76   HG23  VAL   9          HG23      VAL   9   1.368 -23.499 -12.343
   77    HA   PRO  10           HA       PRO  10  -3.645 -21.692  -9.133
   78    HB2  PRO  10           HB2      PRO  10  -6.122 -22.632  -9.766
   79    HB3  PRO  10           HB3      PRO  10  -5.505 -21.033 -10.315
   80    HG2  PRO  10           HG2      PRO  10  -5.484 -23.637 -11.868
   81    HG3  PRO  10           HG3      PRO  10  -6.112 -22.036 -12.390
   82    HD2  PRO  10           HD2      PRO  10  -3.613 -22.831 -13.050
   83    HD3  PRO  10           HD3      PRO  10  -3.937 -21.138 -12.576
   84    H    GLU  11           H        GLU  11  -3.231 -24.689 -10.949
   85    HA   GLU  11           HA       GLU  11  -4.168 -26.545  -9.029
   86    HB2  GLU  11           HB2      GLU  11  -3.585 -27.041 -11.389
   87    HB3  GLU  11           HB3      GLU  11  -1.870 -26.817 -11.016
   88    HG2  GLU  11           HG2      GLU  11  -1.948 -28.721  -9.441
   89    HG3  GLU  11           HG3      GLU  11  -3.686 -28.891  -9.704
   90    H    GLN  12           H        GLN  12  -0.993 -24.853  -9.294
   91    HA   GLN  12           HA       GLN  12   0.134 -26.409  -7.088
   92    HB2  GLN  12           HB2      GLN  12   1.123 -23.968  -8.599
   93    HB3  GLN  12           HB3      GLN  12   2.035 -24.832  -7.342
   94    HG2  GLN  12           HG2      GLN  12   1.997 -26.898  -8.698
   95    HG3  GLN  12           HG3      GLN  12   1.081 -26.068  -9.955
   96   HE21  GLN  12          HE22      GLN  12   2.623 -26.172 -11.639
   97   HE22  GLN  12          HE21      GLN  12   4.183 -25.395 -11.544
   98    H    TYR  13           H        TYR  13  -1.574 -23.315  -7.459
   99    HA   TYR  13           HA       TYR  13  -1.095 -22.272  -4.837
  100    HB2  TYR  13           HB2      TYR  13  -2.116 -20.703  -6.050
  101    HB3  TYR  13           HB3      TYR  13  -2.974 -21.832  -7.063
  102    HD1  TYR  13           HD1      TYR  13  -3.073 -20.352  -3.614
  103    HD2  TYR  13           HD2      TYR  13  -5.308 -22.037  -6.889
  104    HE1  TYR  13           HE1      TYR  13  -5.175 -19.744  -2.472
  105    HE2  TYR  13           HE2      TYR  13  -7.423 -21.446  -5.756
  106    HH   TYR  13           HH       TYR  13  -7.508 -19.790  -2.563
  107    H    GLN  14           H        GLN  14  -3.336 -24.758  -6.053
  108    HA   GLN  14           HA       GLN  14  -4.519 -25.243  -3.438
  109    HB2  GLN  14           HB2      GLN  14  -4.660 -26.696  -6.108
  110    HB3  GLN  14           HB3      GLN  14  -5.584 -27.175  -4.684
  111    HG2  GLN  14           HG2      GLN  14  -6.858 -25.168  -4.658
  112    HG3  GLN  14           HG3      GLN  14  -5.786 -24.353  -5.791
  113   HE21  GLN  14          HE22      GLN  14  -5.814 -24.893  -8.020
  114   HE22  GLN  14          HE21      GLN  14  -7.185 -25.733  -8.739
  115    H    GLN  15           H        GLN  15  -1.479 -25.512  -3.803
  116    HA   GLN  15           HA       GLN  15  -1.238 -28.061  -2.329
  117    HB2  GLN  15           HB2      GLN  15   0.583 -27.206  -4.619
  118    HB3  GLN  15           HB3      GLN  15   0.958 -28.488  -3.479
  119    HG2  GLN  15           HG2      GLN  15  -1.479 -28.546  -5.314
  120    HG3  GLN  15           HG3      GLN  15   0.082 -29.236  -5.718
  121   HE21  GLN  15          HE22      GLN  15  -2.733 -29.564  -3.557
  122   HE22  GLN  15          HE21      GLN  15  -2.373 -31.210  -3.058
  123    H    GLU  16           H        GLU  16   0.179 -24.887  -3.225
  124    HA   GLU  16           HA       GLU  16   0.669 -24.403  -0.411
  125    HB2  GLU  16           HB2      GLU  16   2.746 -25.587  -1.181
  126    HB3  GLU  16           HB3      GLU  16   3.029 -24.298  -2.350
  127    HG2  GLU  16           HG2      GLU  16   3.368 -22.667  -0.630
  128    HG3  GLU  16           HG3      GLU  16   2.684 -23.706   0.618
  129    H    HIS  17           H        HIS  17   0.672 -22.128  -0.012
  130    HA   HIS  17           HA       HIS  17   1.060 -20.187  -2.176
  131    HB2  HIS  17           HB2      HIS  17  -1.383 -20.956  -2.214
  132    HB3  HIS  17           HB3      HIS  17  -1.528 -20.348  -0.568
  133    HD1  HIS  17           HD1      HIS  17  -0.654 -18.813  -4.097
  134    HD2  HIS  17           HD2      HIS  17  -2.601 -18.060  -0.424
  135    HE1  HIS  17           HE1      HIS  17  -1.796 -16.587  -4.320
  136    H    VAL  18           H        VAL  18   1.371 -18.013  -1.176
  137    HA   VAL  18           HA       VAL  18   2.439 -18.110   1.538
  138    HB   VAL  18           HB       VAL  18   1.982 -15.817  -0.414
  139   HG11  VAL  18          HG11      VAL  18   3.579 -14.539   1.029
  140   HG12  VAL  18          HG12      VAL  18   2.037 -14.853   1.822
  141   HG13  VAL  18          HG13      VAL  18   3.462 -15.826   2.251
  142   HG21  VAL  18          HG21      VAL  18   3.714 -17.518  -1.110
  143   HG22  VAL  18          HG22      VAL  18   4.385 -15.925  -0.783
  144   HG23  VAL  18          HG23      VAL  18   4.565 -17.226   0.418
  145    H    GLN  19           H        GLN  19   1.518 -17.256   3.386
  146    HA   GLN  19           HA       GLN  19  -1.372 -17.261   3.516
  147    HB2  GLN  19           HB2      GLN  19   0.374 -18.261   5.126
  148    HB3  GLN  19           HB3      GLN  19   0.625 -16.621   5.720
  149    HG2  GLN  19           HG2      GLN  19  -1.820 -16.565   6.359
  150    HG3  GLN  19           HG3      GLN  19  -1.976 -18.223   5.784
  151   HE21  GLN  19          HE22      GLN  19  -0.294 -19.860   6.841
  152   HE22  GLN  19          HE21      GLN  19  -0.041 -19.621   8.553
  153    H    GLY  20           H        GLY  20  -0.730 -15.152   1.835
  154    HA2  GLY  20           HA2      GLY  20  -2.000 -12.882   2.910
  155    HA3  GLY  20           HA3      GLY  20  -0.257 -12.638   3.125
  156    H    ALA  21           H        ALA  21  -2.193 -14.165   0.467
  157    HA   ALA  21           HA       ALA  21  -1.150 -12.245  -1.513
  158    HB1  ALA  21           HB1      ALA  21  -0.267 -14.173  -2.876
  159    HB2  ALA  21           HB2      ALA  21   0.621 -13.941  -1.357
  160    HB3  ALA  21           HB3      ALA  21  -0.568 -15.250  -1.491
  161    H    ILE  22           H        ILE  22  -2.005 -13.063  -3.771
  162    HA   ILE  22           HA       ILE  22  -4.626 -14.433  -3.548
  163    HB   ILE  22           HB       ILE  22  -4.385 -12.544  -5.817
  164   HG12  ILE  22          HG12      ILE  22  -4.708 -11.322  -3.049
  165   HG13  ILE  22          HG13      ILE  22  -3.418 -11.009  -4.223
  166   HG21  ILE  22          HG21      ILE  22  -6.634 -13.010  -3.825
  167   HG22  ILE  22          HG22      ILE  22  -6.759 -12.272  -5.440
  168   HG23  ILE  22          HG23      ILE  22  -6.350 -13.974  -5.294
  169   HD11  ILE  22          HD11      ILE  22  -5.127 -10.075  -5.799
  170   HD12  ILE  22          HD12      ILE  22  -6.333 -10.206  -4.494
  171   HD13  ILE  22          HD13      ILE  22  -4.920  -9.160  -4.293
  172    H    ASN  23           H        ASN  23  -4.853 -16.013  -5.158
  173    HA   ASN  23           HA       ASN  23  -2.560 -16.360  -7.044
  174    HB2  ASN  23           HB2      ASN  23  -3.095 -18.435  -5.858
  175    HB3  ASN  23           HB3      ASN  23  -4.787 -18.314  -6.376
  176   HD21  ASN  23          HD22      ASN  23  -1.441 -18.934  -7.483
  177   HD22  ASN  23          HD21      ASN  23  -1.855 -19.318  -9.151
  178    H    ILE  24           H        ILE  24  -2.770 -15.702  -9.012
  179    HA   ILE  24           HA       ILE  24  -5.370 -15.698 -10.332
  180    HB   ILE  24           HB       ILE  24  -3.609 -13.218 -10.422
  181   HG12  ILE  24          HG12      ILE  24  -6.130 -13.409  -8.775
  182   HG13  ILE  24          HG13      ILE  24  -4.471 -13.243  -8.174
  183   HG21  ILE  24          HG21      ILE  24  -5.519 -12.257 -11.635
  184   HG22  ILE  24          HG22      ILE  24  -4.928 -13.727 -12.398
  185   HG23  ILE  24          HG23      ILE  24  -6.403 -13.796 -11.418
  186   HD11  ILE  24          HD11      ILE  24  -4.284 -11.042  -9.389
  187   HD12  ILE  24          HD12      ILE  24  -6.027 -11.144  -9.704
  188   HD13  ILE  24          HD13      ILE  24  -5.430 -11.090  -8.038
  189    HA   PRO  25           HA       PRO  25  -1.899 -17.448 -12.691
  190    HB2  PRO  25           HB2      PRO  25  -3.191 -18.335 -14.942
  191    HB3  PRO  25           HB3      PRO  25  -3.303 -19.156 -13.349
  192    HG2  PRO  25           HG2      PRO  25  -5.275 -17.208 -14.561
  193    HG3  PRO  25           HG3      PRO  25  -5.602 -18.795 -13.794
  194    HD2  PRO  25           HD2      PRO  25  -5.845 -16.433 -12.429
  195    HD3  PRO  25           HD3      PRO  25  -5.263 -17.924 -11.626
  196    H    LEU  26           H        LEU  26  -0.524 -16.583 -14.303
  197    HA   LEU  26           HA       LEU  26  -0.522 -13.906 -14.568
  198    HB2  LEU  26           HB2      LEU  26   1.400 -15.375 -14.945
  199    HB3  LEU  26           HB3      LEU  26   0.746 -15.873 -16.503
  200    HG   LEU  26           HG       LEU  26   1.062 -13.632 -17.426
  201   HD11  LEU  26          HD11      LEU  26   0.653 -12.147 -15.557
  202   HD12  LEU  26          HD12      LEU  26   1.980 -12.865 -14.620
  203   HD13  LEU  26          HD13      LEU  26   2.312 -11.891 -16.073
  204   HD21  LEU  26          HD21      LEU  26   2.969 -15.228 -17.424
  205   HD22  LEU  26          HD22      LEU  26   3.509 -13.545 -17.376
  206   HD23  LEU  26          HD23      LEU  26   3.549 -14.523 -15.898
  207    H    LYS  27           H        LYS  27  -2.023 -16.055 -16.987
  208    HA   LYS  27           HA       LYS  27  -2.537 -14.164 -19.001
  209    HB2  LYS  27           HB2      LYS  27  -2.765 -16.608 -19.260
  210    HB3  LYS  27           HB3      LYS  27  -4.091 -16.633 -18.097
  211    HG2  LYS  27           HG2      LYS  27  -4.935 -16.847 -20.341
  212    HG3  LYS  27           HG3      LYS  27  -5.506 -15.338 -19.630
  213    HD2  LYS  27           HD2      LYS  27  -3.812 -14.069 -20.928
  214    HD3  LYS  27           HD3      LYS  27  -3.166 -15.593 -21.581
  215    HE2  LYS  27           HE2      LYS  27  -5.380 -16.069 -22.615
  216    HE3  LYS  27           HE3      LYS  27  -6.011 -14.550 -21.968
  217    HZ1  LYS  27           HZ1      LYS  27  -4.387 -13.371 -23.336
  218    HZ2  LYS  27           HZ2      LYS  27  -3.803 -14.778 -23.933
  219    HZ3  LYS  27           HZ3      LYS  27  -5.327 -14.318 -24.268
  220    H    GLU  28           H        GLU  28  -4.357 -14.900 -15.985
  221    HA   GLU  28           HA       GLU  28  -6.478 -12.983 -16.630
  222    HB2  GLU  28           HB2      GLU  28  -5.886 -14.865 -14.376
  223    HB3  GLU  28           HB3      GLU  28  -6.638 -13.334 -13.928
  224    HG2  GLU  28           HG2      GLU  28  -8.467 -13.659 -15.468
  225    HG3  GLU  28           HG3      GLU  28  -7.752 -15.170 -16.063
  226    H    VAL  29           H        VAL  29  -3.504 -13.070 -14.630
  227    HA   VAL  29           HA       VAL  29  -3.859 -10.739 -13.177
  228    HB   VAL  29           HB       VAL  29  -1.300 -11.863 -14.359
  229   HG11  VAL  29          HG11      VAL  29  -0.043 -10.601 -12.641
  230   HG12  VAL  29          HG12      VAL  29  -0.792  -9.529 -13.823
  231   HG13  VAL  29          HG13      VAL  29  -1.524  -9.718 -12.213
  232   HG21  VAL  29          HG21      VAL  29  -0.969 -12.832 -12.174
  233   HG22  VAL  29          HG22      VAL  29  -2.339 -11.920 -11.509
  234   HG23  VAL  29          HG23      VAL  29  -2.608 -13.230 -12.674
  235    H    LYS  30           H        LYS  30  -2.602 -10.917 -16.547
  236    HA   LYS  30           HA       LYS  30  -1.999  -8.164 -16.661
  237    HB2  LYS  30           HB2      LYS  30  -1.283 -10.211 -18.156
  238    HB3  LYS  30           HB3      LYS  30  -2.735  -9.847 -19.091
  239    HG2  LYS  30           HG2      LYS  30  -1.863  -7.518 -19.466
  240    HG3  LYS  30           HG3      LYS  30  -0.442  -7.909 -18.485
  241    HD2  LYS  30           HD2      LYS  30   0.208  -9.646 -20.112
  242    HD3  LYS  30           HD3      LYS  30  -1.268  -9.375 -21.046
  243    HE2  LYS  30           HE2      LYS  30   0.892  -7.263 -20.586
  244    HE3  LYS  30           HE3      LYS  30   0.827  -8.322 -21.996
  245    HZ1  LYS  30           HZ1      LYS  30  -1.320  -7.361 -22.562
  246    HZ2  LYS  30           HZ2      LYS  30  -1.276  -6.366 -21.263
  247    HZ3  LYS  30           HZ3      LYS  30  -0.189  -6.197 -22.466
  248    H    GLU  31           H        GLU  31  -5.124  -9.383 -16.439
  249    HA   GLU  31           HA       GLU  31  -6.133  -6.746 -17.376
  250    HB2  GLU  31           HB2      GLU  31  -6.950  -8.496 -18.875
  251    HB3  GLU  31           HB3      GLU  31  -7.523  -9.455 -17.500
  252    HG2  GLU  31           HG2      GLU  31  -9.124  -7.711 -16.898
  253    HG3  GLU  31           HG3      GLU  31  -8.495  -6.648 -18.162
  254    H    ARG  32           H        ARG  32  -6.593  -9.521 -15.179
  255    HA   ARG  32           HA       ARG  32  -8.470  -8.275 -13.495
  256    HB2  ARG  32           HB2      ARG  32  -8.189 -10.704 -13.788
  257    HB3  ARG  32           HB3      ARG  32  -6.644 -10.644 -12.922
  258    HG2  ARG  32           HG2      ARG  32  -7.710 -10.041 -10.868
  259    HG3  ARG  32           HG3      ARG  32  -9.260  -9.702 -11.664
  260    HD2  ARG  32           HD2      ARG  32  -9.702 -11.999 -12.065
  261    HD3  ARG  32           HD3      ARG  32  -8.013 -12.448 -11.824
  262    HE   ARG  32           HE       ARG  32  -9.253 -11.290  -9.463
  263   HH11  ARG  32          HH11      ARG  32  -8.878 -14.353 -11.268
  264   HH12  ARG  32          HH12      ARG  32  -8.949 -15.334  -9.841
  265   HH21  ARG  32          HH21      ARG  32  -9.385 -12.623  -7.595
  266   HH22  ARG  32          HH22      ARG  32  -9.269 -14.335  -7.728
  267    H    ILE  33           H        ILE  33  -4.930  -8.024 -13.440
  268    HA   ILE  33           HA       ILE  33  -4.684  -7.239 -10.734
  269    HB   ILE  33           HB       ILE  33  -2.747  -7.657 -12.266
  270   HG12  ILE  33          HG12      ILE  33  -1.349  -5.640 -11.365
  271   HG13  ILE  33          HG13      ILE  33  -2.811  -5.150 -10.522
  272   HG21  ILE  33          HG21      ILE  33  -3.139  -4.820 -13.288
  273   HG22  ILE  33          HG22      ILE  33  -1.908  -5.991 -13.764
  274   HG23  ILE  33          HG23      ILE  33  -3.593  -6.258 -14.201
  275   HD11  ILE  33          HD11      ILE  33  -2.885  -7.369  -9.385
  276   HD12  ILE  33          HD12      ILE  33  -1.405  -7.841 -10.253
  277   HD13  ILE  33          HD13      ILE  33  -1.365  -6.503  -9.090
  278    H    ALA  34           H        ALA  34  -5.863  -5.437 -13.612
  279    HA   ALA  34           HA       ALA  34  -5.859  -2.883 -12.401
  280    HB1  ALA  34           HB1      ALA  34  -6.189  -3.316 -14.841
  281    HB2  ALA  34           HB2      ALA  34  -7.812  -3.962 -14.482
  282    HB3  ALA  34           HB3      ALA  34  -7.444  -2.255 -14.168
  283    H    THR  35           H        THR  35  -7.893  -5.578 -11.626
  284    HA   THR  35           HA       THR  35  -9.853  -3.816 -10.236
  285    HB   THR  35           HB       THR  35  -9.965  -6.805 -10.804
  286    HG1  THR  35           HG1      THR  35 -10.024  -5.520 -12.704
  287   HG21  THR  35          HG21      THR  35 -11.436  -6.162  -8.941
  288   HG22  THR  35          HG22      THR  35 -12.124  -4.839  -9.908
  289   HG23  THR  35          HG23      THR  35 -12.400  -6.534 -10.375
  290    H    ALA  36           H        ALA  36  -7.354  -6.306  -9.771
  291    HA   ALA  36           HA       ALA  36  -7.872  -6.656  -6.933
  292    HB1  ALA  36           HB1      ALA  36  -6.796  -8.406  -8.326
  293    HB2  ALA  36           HB2      ALA  36  -5.398  -7.334  -8.587
  294    HB3  ALA  36           HB3      ALA  36  -5.769  -7.927  -6.960
  295    H    VAL  37           H        VAL  37  -5.756  -4.621  -8.878
  296    HA   VAL  37           HA       VAL  37  -4.944  -2.969  -6.581
  297    HB   VAL  37           HB       VAL  37  -2.957  -3.989  -8.648
  298   HG11  VAL  37          HG11      VAL  37  -2.454  -1.799  -7.628
  299   HG12  VAL  37          HG12      VAL  37  -2.623  -2.491  -6.016
  300   HG13  VAL  37          HG13      VAL  37  -1.304  -3.020  -7.096
  301   HG21  VAL  37          HG21      VAL  37  -1.934  -5.349  -6.853
  302   HG22  VAL  37          HG22      VAL  37  -3.376  -5.063  -5.846
  303   HG23  VAL  37          HG23      VAL  37  -3.496  -5.948  -7.388
  304    HA   PRO  38           HA       PRO  38  -6.301  -0.575 -10.322
  305    HB2  PRO  38           HB2      PRO  38  -7.799   1.318  -8.978
  306    HB3  PRO  38           HB3      PRO  38  -8.448  -0.251  -9.543
  307    HG2  PRO  38           HG2      PRO  38  -7.455   0.469  -6.774
  308    HG3  PRO  38           HG3      PRO  38  -8.952  -0.407  -7.223
  309    HD2  PRO  38           HD2      PRO  38  -6.686  -1.710  -6.425
  310    HD3  PRO  38           HD3      PRO  38  -7.755  -2.396  -7.684
  311    H    ASP  39           H        ASP  39  -4.835   0.128  -7.204
  312    HA   ASP  39           HA       ASP  39  -3.603   2.652  -7.800
  313    HB2  ASP  39           HB2      ASP  39  -3.948   1.443  -5.532
  314    HB3  ASP  39           HB3      ASP  39  -2.519   0.501  -5.951
  315    H    LYS  40           H        LYS  40  -0.995   2.604  -7.760
  316    HA   LYS  40           HA       LYS  40   0.030   0.605  -9.691
  317    HB2  LYS  40           HB2      LYS  40   0.159   3.618 -10.101
  318    HB3  LYS  40           HB3      LYS  40   1.100   2.464 -11.034
  319    HG2  LYS  40           HG2      LYS  40  -1.938   2.473 -10.912
  320    HG3  LYS  40           HG3      LYS  40  -1.011   3.296 -12.157
  321    HD2  LYS  40           HD2      LYS  40  -0.239   1.305 -13.130
  322    HD3  LYS  40           HD3      LYS  40  -0.582   0.328 -11.711
  323    HE2  LYS  40           HE2      LYS  40  -2.707   1.565 -13.508
  324    HE3  LYS  40           HE3      LYS  40  -2.123  -0.102 -13.580
  325    HZ1  LYS  40           HZ1      LYS  40  -2.825  -0.170 -11.115
  326    HZ2  LYS  40           HZ2      LYS  40  -3.738   1.124 -11.441
  327    HZ3  LYS  40           HZ3      LYS  40  -3.988  -0.272 -12.272
  328    H    ASN  41           H        ASN  41   0.525   2.777  -7.009
  329    HA   ASN  41           HA       ASN  41   3.474   2.515  -7.090
  330    HB2  ASN  41           HB2      ASN  41   2.501   4.763  -6.720
  331    HB3  ASN  41           HB3      ASN  41   1.614   4.153  -5.320
  332   HD21  ASN  41          HD22      ASN  41   2.636   4.528  -3.353
  333   HD22  ASN  41          HD21      ASN  41   4.355   4.729  -3.152
  334    H    ASP  42           H        ASP  42   0.593   1.194  -5.520
  335    HA   ASP  42           HA       ASP  42   1.895   0.044  -3.222
  336    HB2  ASP  42           HB2      ASP  42  -0.556  -0.666  -4.829
  337    HB3  ASP  42           HB3      ASP  42   0.170  -1.882  -3.776
  338    H    THR  43           H        THR  43   3.496  -1.400  -3.155
  339    HA   THR  43           HA       THR  43   4.811  -2.326  -5.466
  340    HB   THR  43           HB       THR  43   5.060  -3.294  -2.583
  341    HG1  THR  43           HG1      THR  43   5.401  -1.261  -2.356
  342   HG21  THR  43          HG21      THR  43   7.037  -3.301  -4.883
  343   HG22  THR  43          HG22      THR  43   7.406  -3.693  -3.178
  344   HG23  THR  43          HG23      THR  43   6.273  -4.703  -4.086
  345    H    VAL  44           H        VAL  44   3.588  -3.697  -6.845
  346    HA   VAL  44           HA       VAL  44   2.275  -6.048  -5.695
  347    HB   VAL  44           HB       VAL  44   2.987  -5.554  -8.628
  348   HG11  VAL  44          HG11      VAL  44   0.876  -7.272  -7.241
  349   HG12  VAL  44          HG12      VAL  44   1.089  -7.123  -9.000
  350   HG13  VAL  44          HG13      VAL  44   2.344  -7.889  -8.020
  351   HG21  VAL  44          HG21      VAL  44   0.633  -4.741  -8.870
  352   HG22  VAL  44          HG22      VAL  44   0.477  -4.736  -7.098
  353   HG23  VAL  44          HG23      VAL  44   1.628  -3.650  -7.905
  354    H    LYS  45           H        LYS  45   3.422  -7.691  -4.873
  355    HA   LYS  45           HA       LYS  45   6.116  -8.277  -5.946
  356    HB2  LYS  45           HB2      LYS  45   4.712  -9.263  -3.430
  357    HB3  LYS  45           HB3      LYS  45   6.354  -9.688  -3.957
  358    HG2  LYS  45           HG2      LYS  45   6.826  -7.175  -4.078
  359    HG3  LYS  45           HG3      LYS  45   5.287  -6.920  -3.246
  360    HD2  LYS  45           HD2      LYS  45   6.085  -7.977  -1.256
  361    HD3  LYS  45           HD3      LYS  45   7.475  -8.707  -2.094
  362    HE2  LYS  45           HE2      LYS  45   8.479  -6.516  -2.481
  363    HE3  LYS  45           HE3      LYS  45   7.071  -5.700  -1.784
  364    HZ1  LYS  45           HZ1      LYS  45   8.965  -5.897  -0.246
  365    HZ2  LYS  45           HZ2      LYS  45   7.591  -6.557   0.337
  366    HZ3  LYS  45           HZ3      LYS  45   8.812  -7.523  -0.231
  367    H    VAL  46           H        VAL  46   5.925  -9.404  -7.783
  368    HA   VAL  46           HA       VAL  46   3.765 -11.378  -8.094
  369    HB   VAL  46           HB       VAL  46   4.767 -11.668 -10.371
  370   HG11  VAL  46          HG11      VAL  46   3.876  -9.546 -11.231
  371   HG12  VAL  46          HG12      VAL  46   2.852 -10.166  -9.928
  372   HG13  VAL  46          HG13      VAL  46   3.972  -8.821  -9.617
  373   HG21  VAL  46          HG21      VAL  46   6.457  -9.212  -9.692
  374   HG22  VAL  46          HG22      VAL  46   7.093 -10.859  -9.928
  375   HG23  VAL  46          HG23      VAL  46   6.309 -10.007 -11.257
  376    H    TYR  47           H        TYR  47   4.039 -13.613  -7.907
  377    HA   TYR  47           HA       TYR  47   6.772 -14.683  -7.999
  378    HB2  TYR  47           HB2      TYR  47   6.778 -15.728  -5.922
  379    HB3  TYR  47           HB3      TYR  47   6.326 -14.072  -5.594
  380    HD1  TYR  47           HD2      TYR  47   3.935 -13.529  -4.949
  381    HD2  TYR  47           HD1      TYR  47   5.352 -17.574  -5.414
  382    HE1  TYR  47           HE2      TYR  47   2.084 -14.344  -3.520
  383    HE2  TYR  47           HE1      TYR  47   3.486 -18.398  -4.007
  384    HH   TYR  47           HH       TYR  47   1.031 -16.215  -2.606
  385    H    CYS  48           H        CYS  48   6.808 -17.051  -8.108
  386    HA   CYS  48           HA       CYS  48   4.516 -18.661  -8.317
  387    HB2  CYS  48           HB2      CYS  48   4.832 -19.411 -10.661
  388    HB3  CYS  48           HB3      CYS  48   4.498 -17.677 -10.639
  389    HG   CYS  48           HG       CYS  48   7.070 -16.996 -10.603
  390    H    ASN  49           H        ASN  49   5.616 -21.003  -9.080
  391    HA   ASN  49           HA       ASN  49   7.710 -21.349  -7.087
  392    HB2  ASN  49           HB2      ASN  49   5.922 -23.042  -7.423
  393    HB3  ASN  49           HB3      ASN  49   6.507 -23.333  -9.065
  394   HD21  ASN  49          HD22      ASN  49   7.583 -25.302  -9.075
  395   HD22  ASN  49          HD21      ASN  49   8.713 -25.821  -7.853
  396    H    ALA  50           H        ALA  50   7.573 -21.386 -10.660
  397    HA   ALA  50           HA       ALA  50  10.287 -22.328 -10.966
  398    HB1  ALA  50           HB1      ALA  50   8.501 -22.734 -12.630
  399    HB2  ALA  50           HB2      ALA  50   8.393 -20.982 -12.944
  400    HB3  ALA  50           HB3      ALA  50   9.875 -21.875 -13.351
  401    H    GLY  51           H        GLY  51   8.955 -19.189 -10.318
  402    HA2  GLY  51           HA2      GLY  51   9.964 -17.143 -10.065
  403    HA3  GLY  51           HA3      GLY  51  11.508 -17.812 -10.615
  404    H    ARG  52           H        ARG  52  10.795 -18.817 -13.118
  405    HA   ARG  52           HA       ARG  52  11.153 -16.772 -14.880
  406    HB2  ARG  52           HB2      ARG  52  11.466 -19.043 -15.527
  407    HB3  ARG  52           HB3      ARG  52   9.780 -19.467 -15.221
  408    HG2  ARG  52           HG2      ARG  52   9.003 -18.196 -17.121
  409    HG3  ARG  52           HG3      ARG  52  10.622 -17.533 -17.423
  410    HD2  ARG  52           HD2      ARG  52   9.877 -20.488 -17.554
  411    HD3  ARG  52           HD3      ARG  52   9.951 -19.404 -18.954
  412    HE   ARG  52           HE       ARG  52  12.430 -19.151 -17.736
  413   HH11  ARG  52          HH21      ARG  52  10.587 -21.802 -19.210
  414   HH12  ARG  52          HH22      ARG  52  11.980 -22.690 -19.702
  415   HH21  ARG  52          HH11      ARG  52  14.292 -20.339 -18.378
  416   HH22  ARG  52          HH12      ARG  52  14.133 -21.832 -19.220
  417    H    GLN  53           H        GLN  53   7.878 -18.106 -14.118
  418    HA   GLN  53           HA       GLN  53   6.643 -16.354 -16.006
  419    HB2  GLN  53           HB2      GLN  53   5.813 -18.557 -15.246
  420    HB3  GLN  53           HB3      GLN  53   5.321 -17.835 -13.698
  421    HG2  GLN  53           HG2      GLN  53   3.653 -16.501 -14.746
  422    HG3  GLN  53           HG3      GLN  53   4.318 -16.813 -16.360
  423   HE21  GLN  53          HE22      GLN  53   1.871 -17.872 -14.119
  424   HE22  GLN  53          HE21      GLN  53   1.498 -19.347 -14.970
  425    H    SER  54           H        SER  54   7.253 -16.029 -12.463
  426    HA   SER  54           HA       SER  54   5.926 -13.470 -12.306
  427    HB2  SER  54           HB2      SER  54   7.519 -13.305 -10.218
  428    HB3  SER  54           HB3      SER  54   6.090 -14.330 -10.258
  429    HG   SER  54           HG       SER  54   8.709 -15.294 -10.837
  430    H    GLY  55           H        GLY  55   9.168 -14.468 -13.386
  431    HA2  GLY  55           HA2      GLY  55  10.432 -11.907 -13.336
  432    HA3  GLY  55           HA3      GLY  55  10.800 -13.256 -14.431
  433    H    GLN  56           H        GLN  56   8.671 -13.637 -15.960
  434    HA   GLN  56           HA       GLN  56   8.482 -11.414 -17.737
  435    HB2  GLN  56           HB2      GLN  56   6.844 -13.941 -17.352
  436    HB3  GLN  56           HB3      GLN  56   6.422 -12.755 -18.587
  437    HG2  GLN  56           HG2      GLN  56   9.275 -13.789 -18.470
  438    HG3  GLN  56           HG3      GLN  56   8.004 -14.796 -19.152
  439   HE21  GLN  56          HE22      GLN  56   9.616 -11.521 -19.570
  440   HE22  GLN  56          HE21      GLN  56   9.145 -11.413 -21.245
  441    H    ALA  57           H        ALA  57   6.240 -12.486 -15.098
  442    HA   ALA  57           HA       ALA  57   4.304 -10.524 -15.546
  443    HB1  ALA  57           HB1      ALA  57   4.135 -12.451 -13.943
  444    HB2  ALA  57           HB2      ALA  57   5.121 -11.505 -12.802
  445    HB3  ALA  57           HB3      ALA  57   3.546 -10.892 -13.325
  446    H    LYS  58           H        LYS  58   7.408 -10.174 -13.697
  447    HA   LYS  58           HA       LYS  58   6.782  -7.626 -12.657
  448    HB2  LYS  58           HB2      LYS  58   8.633  -8.800 -11.750
  449    HB3  LYS  58           HB3      LYS  58   9.504  -8.790 -13.295
  450    HG2  LYS  58           HG2      LYS  58   9.899  -6.451 -13.208
  451    HG3  LYS  58           HG3      LYS  58   8.658  -6.179 -11.982
  452    HD2  LYS  58           HD2      LYS  58   9.987  -7.244 -10.276
  453    HD3  LYS  58           HD3      LYS  58  11.226  -7.718 -11.476
  454    HE2  LYS  58           HE2      LYS  58  11.484  -5.217 -11.975
  455    HE3  LYS  58           HE3      LYS  58  10.486  -4.904 -10.551
  456    HZ1  LYS  58           HZ1      LYS  58  13.096  -6.320 -10.560
  457    HZ2  LYS  58           HZ2      LYS  58  12.833  -4.809 -10.022
  458    HZ3  LYS  58           HZ3      LYS  58  12.199  -6.075  -9.209
  459    H    GLU  59           H        GLU  59   8.181  -8.630 -15.784
  460    HA   GLU  59           HA       GLU  59   8.832  -5.974 -16.714
  461    HB2  GLU  59           HB2      GLU  59   8.325  -8.576 -18.236
  462    HB3  GLU  59           HB3      GLU  59   8.997  -7.105 -18.935
  463    HG2  GLU  59           HG2      GLU  59  10.966  -7.249 -17.504
  464    HG3  GLU  59           HG3      GLU  59  10.307  -8.637 -16.646
  465    H    ILE  60           H        ILE  60   6.129  -8.242 -17.254
  466    HA   ILE  60           HA       ILE  60   4.566  -6.699 -18.986
  467    HB   ILE  60           HB       ILE  60   4.043  -8.920 -17.003
  468   HG12  ILE  60          HG12      ILE  60   3.779  -8.850 -20.043
  469   HG13  ILE  60          HG13      ILE  60   5.278  -9.258 -19.220
  470   HG21  ILE  60          HG21      ILE  60   1.748  -9.197 -17.902
  471   HG22  ILE  60          HG22      ILE  60   1.949  -7.734 -16.960
  472   HG23  ILE  60          HG23      ILE  60   1.926  -7.628 -18.734
  473   HD11  ILE  60          HD11      ILE  60   4.213 -11.309 -19.834
  474   HD12  ILE  60          HD12      ILE  60   4.103 -11.161 -18.070
  475   HD13  ILE  60          HD13      ILE  60   2.680 -10.836 -19.089
  476    H    LEU  61           H        LEU  61   4.362  -6.814 -15.353
  477    HA   LEU  61           HA       LEU  61   2.238  -4.881 -15.354
  478    HB2  LEU  61           HB2      LEU  61   4.124  -5.767 -13.151
  479    HB3  LEU  61           HB3      LEU  61   2.757  -4.671 -12.917
  480    HG   LEU  61           HG       LEU  61   2.635  -7.596 -13.736
  481   HD11  LEU  61          HD11      LEU  61   1.426  -7.851 -11.626
  482   HD12  LEU  61          HD12      LEU  61   2.988  -7.071 -11.327
  483   HD13  LEU  61          HD13      LEU  61   1.502  -6.098 -11.336
  484   HD21  LEU  61          HD21      LEU  61   0.389  -5.559 -13.686
  485   HD22  LEU  61          HD22      LEU  61   0.879  -6.620 -15.035
  486   HD23  LEU  61          HD23      LEU  61   0.129  -7.317 -13.607
  487    H    SER  62           H        SER  62   5.789  -4.553 -15.235
  488    HA   SER  62           HA       SER  62   5.802  -1.756 -14.607
  489    HB2  SER  62           HB2      SER  62   7.802  -3.357 -16.260
  490    HB3  SER  62           HB3      SER  62   8.066  -1.774 -15.513
  491    HG   SER  62           HG       SER  62   7.661  -4.293 -14.269
  492    H    GLU  63           H        GLU  63   5.629  -3.547 -17.764
  493    HA   GLU  63           HA       GLU  63   5.507  -1.194 -19.366
  494    HB2  GLU  63           HB2      GLU  63   4.667  -4.077 -19.851
  495    HB3  GLU  63           HB3      GLU  63   4.478  -2.808 -21.065
  496    HG2  GLU  63           HG2      GLU  63   6.906  -2.310 -20.945
  497    HG3  GLU  63           HG3      GLU  63   7.124  -3.621 -19.792
  498    H    MET  64           H        MET  64   2.944  -3.087 -17.717
  499    HA   MET  64           HA       MET  64   0.733  -1.618 -18.823
  500    HB2  MET  64           HB2      MET  64   1.051  -3.183 -16.234
  501    HB3  MET  64           HB3      MET  64  -0.453  -2.406 -16.717
  502    HG2  MET  64           HG2      MET  64  -0.523  -3.731 -18.785
  503    HG3  MET  64           HG3      MET  64   0.995  -4.511 -18.353
  504    HE1  MET  64           HE1      MET  64  -2.828  -4.201 -17.713
  505    HE2  MET  64           HE2      MET  64  -3.096  -5.217 -16.284
  506    HE3  MET  64           HE3      MET  64  -2.266  -3.661 -16.112
  507    H    GLY  65           H        GLY  65   3.185  -0.640 -16.566
  508    HA2  GLY  65           HA2      GLY  65   3.486   1.644 -16.141
  509    HA3  GLY  65           HA3      GLY  65   1.743   1.929 -16.210
  510    H    TYR  66           H        TYR  66   2.723  -0.855 -14.286
  511    HA   TYR  66           HA       TYR  66   1.935   0.492 -11.808
  512    HB2  TYR  66           HB2      TYR  66   3.111  -2.249 -12.415
  513    HB3  TYR  66           HB3      TYR  66   2.879  -1.642 -10.782
  514    HD1  TYR  66           HD1      TYR  66   0.971  -2.334 -13.959
  515    HD2  TYR  66           HD2      TYR  66   0.810  -1.851  -9.673
  516    HE1  TYR  66           HE1      TYR  66  -1.457  -2.828 -13.996
  517    HE2  TYR  66           HE2      TYR  66  -1.609  -2.360  -9.714
  518    HH   TYR  66           HH       TYR  66  -3.486  -2.664 -11.024
  519    H    THR  67           H        THR  67   3.201   1.863 -10.757
  520    HA   THR  67           HA       THR  67   5.866   2.388 -11.744
  521    HB   THR  67           HB       THR  67   5.619   4.317 -10.106
  522    HG1  THR  67           HG1      THR  67   3.641   4.589  -9.142
  523   HG21  THR  67          HG21      THR  67   4.896   4.458 -12.517
  524   HG22  THR  67          HG22      THR  67   3.266   3.943 -12.024
  525   HG23  THR  67          HG23      THR  67   3.932   5.485 -11.442
  526    H    HIS  68           H        HIS  68   4.542   0.447  -9.194
  527    HA   HIS  68           HA       HIS  68   7.294  -0.026  -8.217
  528    HB2  HIS  68           HB2      HIS  68   5.373   1.414  -6.743
  529    HB3  HIS  68           HB3      HIS  68   5.306  -0.206  -6.068
  530    HD1  HIS  68           HD1      HIS  68   7.042  -0.490  -4.134
  531    HD2  HIS  68           HD2      HIS  68   8.007   2.479  -6.959
  532    HE1  HIS  68           HE1      HIS  68   9.173   0.618  -3.300
  533    H    VAL  69           H        VAL  69   7.710  -2.071  -8.620
  534    HA   VAL  69           HA       VAL  69   5.775  -4.213  -8.087
  535    HB   VAL  69           HB       VAL  69   7.278  -3.871 -10.736
  536   HG11  VAL  69          HG11      VAL  69   5.428  -6.119  -9.823
  537   HG12  VAL  69          HG12      VAL  69   6.065  -5.910 -11.464
  538   HG13  VAL  69          HG13      VAL  69   7.178  -6.248 -10.136
  539   HG21  VAL  69          HG21      VAL  69   5.296  -2.443 -10.761
  540   HG22  VAL  69          HG22      VAL  69   5.058  -3.821 -11.823
  541   HG23  VAL  69          HG23      VAL  69   4.276  -3.799 -10.223
  542    H    GLU  70           H        GLU  70   7.004  -6.154  -7.520
  543    HA   GLU  70           HA       GLU  70   9.882  -5.996  -7.915
  544    HB2  GLU  70           HB2      GLU  70   9.451  -5.143  -5.549
  545    HB3  GLU  70           HB3      GLU  70   8.790  -6.745  -5.173
  546    HG2  GLU  70           HG2      GLU  70  11.121  -6.460  -4.432
  547    HG3  GLU  70           HG3      GLU  70  10.904  -7.803  -5.544
  548    H    ASN  71           H        ASN  71  10.876  -8.084  -7.882
  549    HA   ASN  71           HA       ASN  71   8.951 -10.250  -8.594
  550    HB2  ASN  71           HB2      ASN  71  10.826  -9.698 -10.197
  551    HB3  ASN  71           HB3      ASN  71  11.985 -10.152  -8.938
  552   HD21  ASN  71          HD22      ASN  71   9.427 -11.309 -11.136
  553   HD22  ASN  71          HD21      ASN  71   9.861 -13.000 -10.955
  554    H    ALA  72           H        ALA  72   8.617 -11.854  -7.141
  555    HA   ALA  72           HA       ALA  72  10.604 -12.257  -4.972
  556    HB1  ALA  72           HB1      ALA  72   7.577 -12.166  -4.658
  557    HB2  ALA  72           HB2      ALA  72   8.784 -12.458  -3.381
  558    HB3  ALA  72           HB3      ALA  72   8.706 -10.877  -4.172
  559    H    GLY  73           H        GLY  73  10.205 -13.693  -7.558
  560    HA2  GLY  73           HA2      GLY  73   8.582 -15.974  -7.384
  561    HA3  GLY  73           HA3      GLY  73  10.010 -15.795  -8.395
  562    H    GLY  74           H        GLY  74   8.970 -18.135  -6.949
  563    HA2  GLY  74           HA2      GLY  74  10.170 -20.018  -6.397
  564    HA3  GLY  74           HA3      GLY  74  11.487 -19.049  -5.719
  565    H    LEU  75           H        LEU  75   8.548 -20.752  -5.017
  566    HA   LEU  75           HA       LEU  75   7.526 -19.462  -2.776
  567    HB2  LEU  75           HB2      LEU  75   7.487 -22.299  -3.788
  568    HB3  LEU  75           HB3      LEU  75   7.047 -22.074  -2.119
  569    HG   LEU  75           HG       LEU  75   5.094 -22.176  -3.527
  570   HD11  LEU  75          HD11      LEU  75   3.868 -20.311  -2.647
  571   HD12  LEU  75          HD12      LEU  75   5.039 -20.832  -1.434
  572   HD13  LEU  75          HD13      LEU  75   5.347 -19.363  -2.390
  573   HD21  LEU  75          HD21      LEU  75   5.935 -21.251  -5.600
  574   HD22  LEU  75          HD22      LEU  75   4.508 -20.347  -5.086
  575   HD23  LEU  75          HD23      LEU  75   6.125 -19.644  -4.863
  576    H    LYS  76           H        LYS  76  10.341 -21.646  -2.846
  577    HA   LYS  76           HA       LYS  76  10.488 -21.835   0.039
  578    HB2  LYS  76           HB2      LYS  76  12.599 -22.950  -0.303
  579    HB3  LYS  76           HB3      LYS  76  11.382 -23.593  -1.402
  580    HG2  LYS  76           HG2      LYS  76  12.364 -22.245  -3.264
  581    HG3  LYS  76           HG3      LYS  76  13.596 -21.620  -2.148
  582    HD2  LYS  76           HD2      LYS  76  14.361 -23.947  -1.709
  583    HD3  LYS  76           HD3      LYS  76  13.199 -24.558  -2.889
  584    HE2  LYS  76           HE2      LYS  76  15.446 -22.574  -3.496
  585    HE3  LYS  76           HE3      LYS  76  15.568 -24.319  -3.722
  586    HZ1  LYS  76           HZ1      LYS  76  13.675 -22.555  -5.163
  587    HZ2  LYS  76           HZ2      LYS  76  15.010 -23.247  -5.781
  588    HZ3  LYS  76           HZ3      LYS  76  13.758 -24.183  -5.334
  589    H    ASP  77           H        ASP  77  11.631 -19.430  -2.273
  590    HA   ASP  77           HA       ASP  77  13.776 -18.444  -0.553
  591    HB2  ASP  77           HB2      ASP  77  13.931 -18.292  -3.003
  592    HB3  ASP  77           HB3      ASP  77  12.487 -17.277  -3.049
  593    H    ILE  78           H        ILE  78  10.374 -17.658  -1.215
  594    HA   ILE  78           HA       ILE  78  10.272 -15.105  -0.033
  595    HB   ILE  78           HB       ILE  78   8.096 -17.240  -0.137
  596   HG12  ILE  78          HG12      ILE  78   8.655 -14.963  -2.098
  597   HG13  ILE  78          HG13      ILE  78   9.100 -16.637  -2.380
  598   HG21  ILE  78          HG21      ILE  78   7.534 -15.405   1.431
  599   HG22  ILE  78          HG22      ILE  78   7.880 -14.209   0.179
  600   HG23  ILE  78          HG23      ILE  78   6.508 -15.320   0.013
  601   HD11  ILE  78          HD11      ILE  78   6.297 -15.519  -2.238
  602   HD12  ILE  78          HD12      ILE  78   7.113 -16.342  -3.573
  603   HD13  ILE  78          HD13      ILE  78   6.647 -17.263  -2.135
  604    H    ALA  79           H        ALA  79   9.973 -18.314   1.407
  605    HA   ALA  79           HA       ALA  79   9.751 -19.100   3.492
  606    HB1  ALA  79           HB1      ALA  79  11.616 -18.518   4.964
  607    HB2  ALA  79           HB2      ALA  79  12.166 -18.593   3.281
  608    HB3  ALA  79           HB3      ALA  79  11.895 -17.016   4.058
  609    H    MET  80           H        MET  80   7.766 -17.141   2.990
  610    HA   MET  80           HA       MET  80   7.208 -15.925   5.650
  611    HB2  MET  80           HB2      MET  80   5.820 -15.812   2.936
  612    HB3  MET  80           HB3      MET  80   5.027 -15.282   4.411
  613    HG2  MET  80           HG2      MET  80   6.794 -13.644   4.852
  614    HG3  MET  80           HG3      MET  80   7.673 -14.177   3.422
  615    HE1  MET  80           HE1      MET  80   3.673 -11.805   3.352
  616    HE2  MET  80           HE2      MET  80   3.697 -13.513   3.827
  617    HE3  MET  80           HE3      MET  80   4.533 -12.301   4.827
  618    HA   PRO  81           HA       PRO  81   4.516 -19.327   6.882
  619    HB2  PRO  81           HB2      PRO  81   2.334 -17.249   7.101
  620    HB3  PRO  81           HB3      PRO  81   2.776 -18.538   8.262
  621    HG2  PRO  81           HG2      PRO  81   3.551 -15.973   8.691
  622    HG3  PRO  81           HG3      PRO  81   4.704 -17.319   8.980
  623    HD2  PRO  81           HD2      PRO  81   4.509 -15.482   6.591
  624    HD3  PRO  81           HD3      PRO  81   5.964 -16.045   7.470
  625    H    LYS  82           H        LYS  82   2.731 -20.603   6.051
  626    HA   LYS  82           HA       LYS  82   1.956 -19.875   3.259
  627    HB2  LYS  82           HB2      LYS  82   2.922 -22.569   4.316
  628    HB3  LYS  82           HB3      LYS  82   2.403 -22.253   2.670
  629    HG2  LYS  82           HG2      LYS  82   4.873 -21.065   3.985
  630    HG3  LYS  82           HG3      LYS  82   4.818 -22.437   2.875
  631    HD2  LYS  82           HD2      LYS  82   3.961 -20.996   1.065
  632    HD3  LYS  82           HD3      LYS  82   3.908 -19.621   2.165
  633    HE2  LYS  82           HE2      LYS  82   5.833 -19.483   0.681
  634    HE3  LYS  82           HE3      LYS  82   6.307 -19.552   2.380
  635    HZ1  LYS  82           HZ1      LYS  82   6.311 -21.987   0.682
  636    HZ2  LYS  82           HZ2      LYS  82   7.595 -20.958   0.744
  637    HZ3  LYS  82           HZ3      LYS  82   7.085 -21.735   2.100
  638    H    VAL  83           H        VAL  83   0.355 -21.435   2.405
  639    HA   VAL  83           HA       VAL  83  -1.500 -22.687   4.325
  640    HB   VAL  83           HB       VAL  83  -2.326 -21.049   1.866
  641   HG11  VAL  83          HG11      VAL  83  -4.022 -22.486   3.962
  642   HG12  VAL  83          HG12      VAL  83  -4.643 -21.458   2.653
  643   HG13  VAL  83          HG13      VAL  83  -3.824 -22.969   2.261
  644   HG21  VAL  83          HG21      VAL  83  -3.473 -19.530   3.470
  645   HG22  VAL  83          HG22      VAL  83  -2.717 -20.408   4.820
  646   HG23  VAL  83          HG23      VAL  83  -1.720 -19.505   3.654
  647    H    LYS  84           H        LYS  84  -2.160 -24.766   3.369
  648    HA   LYS  84           HA       LYS  84  -0.855 -25.475   0.804
  649    HB2  LYS  84           HB2      LYS  84  -0.343 -26.858   3.479
  650    HB3  LYS  84           HB3      LYS  84   0.057 -27.541   1.903
  651    HG2  LYS  84           HG2      LYS  84   1.488 -25.489   1.454
  652    HG3  LYS  84           HG3      LYS  84   1.217 -24.993   3.120
  653    HD2  LYS  84           HD2      LYS  84   3.360 -26.094   2.945
  654    HD3  LYS  84           HD3      LYS  84   2.276 -27.060   3.938
  655    HE2  LYS  84           HE2      LYS  84   3.636 -28.455   2.445
  656    HE3  LYS  84           HE3      LYS  84   1.917 -28.651   2.109
  657    HZ1  LYS  84           HZ1      LYS  84   2.153 -27.304   0.158
  658    HZ2  LYS  84           HZ2      LYS  84   3.712 -26.873   0.547
  659    HZ3  LYS  84           HZ3      LYS  84   3.349 -28.417   0.118
  660    H    GLY  85           H        GLY  85  -1.521 -27.526  -0.013
  661    HA2  GLY  85           HA2      GLY  85  -3.238 -28.779  -0.875
  662    HA3  GLY  85           HA3      GLY  85  -3.796 -29.006   0.793
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1  -0.514   0.903   1.232
    2    H2   ALA   1           H2       ALA   1  -0.297  -0.715   1.353
    3    H3   ALA   1           H3       ALA   1   0.996   0.285   1.408
    4    HA   ALA   1           HA       ALA   1  -0.746  -0.121  -0.935
    5    HB1  ALA   1           HB1      ALA   1   1.751   1.605  -0.666
    6    HB2  ALA   1           HB2      ALA   1   0.835   1.303  -2.154
    7    HB3  ALA   1           HB3      ALA   1   0.079   2.190  -0.824
    8    H    GLU   2           H        GLU   2  -0.306  -2.519  -0.333
    9    HA   GLU   2           HA       GLU   2   1.848  -3.449  -1.986
   10    HB2  GLU   2           HB2      GLU   2   3.051  -3.153   0.173
   11    HB3  GLU   2           HB3      GLU   2   1.810  -4.084   1.017
   12    HG2  GLU   2           HG2      GLU   2   2.447  -6.107  -0.278
   13    HG3  GLU   2           HG3      GLU   2   3.690  -5.174  -1.118
   14    H    HIS   3           H        HIS   3   1.356  -5.529  -2.711
   15    HA   HIS   3           HA       HIS   3  -0.636  -7.205  -1.373
   16    HB2  HIS   3           HB2      HIS   3  -0.871  -6.358  -4.303
   17    HB3  HIS   3           HB3      HIS   3  -1.708  -7.735  -3.597
   18    HD1  HIS   3           HD1      HIS   3  -3.413  -6.926  -1.369
   19    HD2  HIS   3           HD2      HIS   3  -2.328  -4.235  -4.416
   20    HE1  HIS   3           HE1      HIS   3  -5.140  -5.060  -1.318
   21    H    TRP   4           H        TRP   4  -0.464  -9.441  -2.322
   22    HA   TRP   4           HA       TRP   4   2.120  -9.925  -3.730
   23    HB2  TRP   4           HB2      TRP   4   0.808 -11.484  -1.448
   24    HB3  TRP   4           HB3      TRP   4   2.041 -12.162  -2.494
   25    HD1  TRP   4           HD1      TRP   4   1.748  -9.072  -0.156
   26    HE1  TRP   4           HE1      TRP   4   4.001  -8.646   0.942
   27    HE3  TRP   4           HE3      TRP   4   4.422 -12.866  -2.349
   28    HZ2  TRP   4           HZ2      TRP   4   6.583 -10.003   1.109
   29    HZ3  TRP   4           HZ3      TRP   4   6.764 -13.265  -1.694
   30    HH2  TRP   4           HH2      TRP   4   7.865 -11.837   0.015
   31    H    ILE   5           H        ILE   5   1.633 -10.852  -5.679
   32    HA   ILE   5           HA       ILE   5  -0.967 -12.279  -5.983
   33    HB   ILE   5           HB       ILE   5   0.373 -10.657  -8.159
   34   HG12  ILE   5          HG12      ILE   5  -0.174  -9.027  -6.398
   35   HG13  ILE   5          HG13      ILE   5  -1.088  -8.824  -7.874
   36   HG21  ILE   5          HG21      ILE   5  -1.171 -12.346  -8.950
   37   HG22  ILE   5          HG22      ILE   5  -2.420 -11.829  -7.798
   38   HG23  ILE   5          HG23      ILE   5  -1.943 -10.762  -9.131
   39   HD11  ILE   5          HD11      ILE   5  -3.092  -9.805  -6.795
   40   HD12  ILE   5          HD12      ILE   5  -2.147  -9.999  -5.294
   41   HD13  ILE   5          HD13      ILE   5  -2.473  -8.385  -5.939
   42    H    ASP   6           H        ASP   6  -0.414 -14.342  -6.055
   43    HA   ASP   6           HA       ASP   6   2.038 -15.437  -7.134
   44    HB2  ASP   6           HB2      ASP   6   0.541 -16.527  -5.434
   45    HB3  ASP   6           HB3      ASP   6  -0.713 -16.634  -6.649
   46    H    VAL   7           H        VAL   7   2.471 -15.597  -9.322
   47    HA   VAL   7           HA       VAL   7   0.195 -15.389 -11.233
   48    HB   VAL   7           HB       VAL   7   1.722 -14.553 -12.872
   49   HG11  VAL   7          HG11      VAL   7   2.191 -12.371 -11.925
   50   HG12  VAL   7          HG12      VAL   7   0.641 -12.970 -11.300
   51   HG13  VAL   7          HG13      VAL   7   2.089 -13.007 -10.276
   52   HG21  VAL   7          HG21      VAL   7   3.799 -15.768 -12.117
   53   HG22  VAL   7          HG22      VAL   7   4.032 -14.066 -12.488
   54   HG23  VAL   7          HG23      VAL   7   3.946 -14.582 -10.796
   55    H    ARG   8           H        ARG   8   1.796 -17.722  -9.789
   56    HA   ARG   8           HA       ARG   8   2.537 -19.610 -11.825
   57    HB2  ARG   8           HB2      ARG   8   2.964 -19.480  -9.280
   58    HB3  ARG   8           HB3      ARG   8   1.261 -19.973  -9.105
   59    HG2  ARG   8           HG2      ARG   8   1.842 -22.167 -10.005
   60    HG3  ARG   8           HG3      ARG   8   3.511 -21.601 -10.291
   61    HD2  ARG   8           HD2      ARG   8   2.940 -22.985  -8.124
   62    HD3  ARG   8           HD3      ARG   8   4.076 -21.646  -8.050
   63    HE   ARG   8           HE       ARG   8   1.895 -20.300  -7.384
   64   HH11  ARG   8          HH11      ARG   8   2.970 -23.474  -6.083
   65   HH12  ARG   8          HH12      ARG   8   2.036 -23.251  -4.626
   66   HH21  ARG   8          HH21      ARG   8   0.790 -20.103  -5.525
   67   HH22  ARG   8          HH22      ARG   8   0.941 -21.310  -4.229
   68    H    VAL   9           H        VAL   9   1.197 -21.602 -12.277
   69    HA   VAL   9           HA       VAL   9  -1.492 -21.040 -12.959
   70    HB   VAL   9           HB       VAL   9  -1.679 -23.525 -13.309
   71   HG11  VAL   9          HG11      VAL   9  -0.881 -22.000 -15.087
   72   HG12  VAL   9          HG12      VAL   9   0.796 -22.242 -14.551
   73   HG13  VAL   9          HG13      VAL   9  -0.140 -23.602 -15.200
   74   HG21  VAL   9          HG21      VAL   9   1.255 -23.631 -12.457
   75   HG22  VAL   9          HG22      VAL   9  -0.112 -24.307 -11.544
   76   HG23  VAL   9          HG23      VAL   9   0.288 -24.951 -13.139
   77    HA   PRO  10           HA       PRO  10  -3.399 -21.131  -9.137
   78    HB2  PRO  10           HB2      PRO  10  -6.012 -21.738  -9.649
   79    HB3  PRO  10           HB3      PRO  10  -5.211 -20.247 -10.255
   80    HG2  PRO  10           HG2      PRO  10  -5.613 -22.854 -11.748
   81    HG3  PRO  10           HG3      PRO  10  -6.024 -21.191 -12.287
   82    HD2  PRO  10           HD2      PRO  10  -3.692 -22.360 -13.019
   83    HD3  PRO  10           HD3      PRO  10  -3.753 -20.626 -12.587
   84    H    GLU  11           H        GLU  11  -3.517 -24.219 -10.864
   85    HA   GLU  11           HA       GLU  11  -4.634 -25.833  -8.834
   86    HB2  GLU  11           HB2      GLU  11  -4.221 -26.509 -11.183
   87    HB3  GLU  11           HB3      GLU  11  -2.479 -26.536 -10.874
   88    HG2  GLU  11           HG2      GLU  11  -2.787 -28.339  -9.208
   89    HG3  GLU  11           HG3      GLU  11  -4.539 -28.248  -9.406
   90    H    GLN  12           H        GLN  12  -1.303 -24.546  -9.219
   91    HA   GLN  12           HA       GLN  12  -0.235 -26.226  -7.097
   92    HB2  GLN  12           HB2      GLN  12   0.895 -23.878  -8.627
   93    HB3  GLN  12           HB3      GLN  12   1.771 -24.808  -7.388
   94    HG2  GLN  12           HG2      GLN  12   1.469 -26.885  -8.702
   95    HG3  GLN  12           HG3      GLN  12   0.612 -25.983  -9.947
   96   HE21  GLN  12          HE22      GLN  12   2.118 -26.405 -11.640
   97   HE22  GLN  12          HE21      GLN  12   3.742 -25.771 -11.619
   98    H    TYR  13           H        TYR  13  -1.670 -22.971  -7.311
   99    HA   TYR  13           HA       TYR  13  -0.991 -22.079  -4.680
  100    HB2  TYR  13           HB2      TYR  13  -1.917 -20.628  -6.434
  101    HB3  TYR  13           HB3      TYR  13  -3.426 -21.508  -6.399
  102    HD1  TYR  13           HD1      TYR  13  -5.025 -21.282  -4.525
  103    HD2  TYR  13           HD2      TYR  13  -1.414 -18.933  -4.728
  104    HE1  TYR  13           HE1      TYR  13  -6.026 -19.620  -2.994
  105    HE2  TYR  13           HE2      TYR  13  -2.413 -17.251  -3.221
  106    HH   TYR  13           HH       TYR  13  -4.307 -16.612  -2.020
  107    H    GLN  14           H        GLN  14  -3.480 -24.380  -5.832
  108    HA   GLN  14           HA       GLN  14  -4.827 -24.516  -3.292
  109    HB2  GLN  14           HB2      GLN  14  -4.654 -26.833  -5.230
  110    HB3  GLN  14           HB3      GLN  14  -5.928 -26.450  -4.086
  111    HG2  GLN  14           HG2      GLN  14  -5.306 -25.126  -6.731
  112    HG3  GLN  14           HG3      GLN  14  -6.742 -26.019  -6.294
  113   HE21  GLN  14          HE22      GLN  14  -5.677 -22.963  -6.895
  114   HE22  GLN  14          HE21      GLN  14  -6.866 -22.061  -5.965
  115    H    GLN  15           H        GLN  15  -1.735 -25.795  -4.382
  116    HA   GLN  15           HA       GLN  15  -1.715 -27.935  -2.365
  117    HB2  GLN  15           HB2      GLN  15   0.612 -27.082  -4.112
  118    HB3  GLN  15           HB3      GLN  15   0.367 -28.611  -3.274
  119    HG2  GLN  15           HG2      GLN  15  -1.005 -27.567  -5.750
  120    HG3  GLN  15           HG3      GLN  15   0.014 -28.984  -5.619
  121   HE21  GLN  15          HE22      GLN  15  -3.023 -28.154  -6.270
  122   HE22  GLN  15          HE21      GLN  15  -3.902 -29.499  -5.561
  123    H    GLU  16           H        GLU  16   0.017 -24.865  -3.061
  124    HA   GLU  16           HA       GLU  16   0.202 -24.290  -0.231
  125    HB2  GLU  16           HB2      GLU  16   2.209 -25.748  -0.583
  126    HB3  GLU  16           HB3      GLU  16   2.789 -24.617  -1.815
  127    HG2  GLU  16           HG2      GLU  16   2.898 -22.828  -0.065
  128    HG3  GLU  16           HG3      GLU  16   2.343 -23.976   1.135
  129    H    HIS  17           H        HIS  17   0.433 -22.032   0.086
  130    HA   HIS  17           HA       HIS  17   1.522 -20.352  -2.032
  131    HB2  HIS  17           HB2      HIS  17  -0.448 -18.820  -2.014
  132    HB3  HIS  17           HB3      HIS  17  -0.735 -20.380  -2.770
  133    HD1  HIS  17           HD1      HIS  17  -2.565 -21.961  -1.630
  134    HD2  HIS  17           HD2      HIS  17  -1.985 -18.162   0.066
  135    HE1  HIS  17           HE1      HIS  17  -4.544 -21.556  -0.082
  136    H    VAL  18           H        VAL  18   1.887 -18.125  -1.230
  137    HA   VAL  18           HA       VAL  18   2.837 -18.016   1.489
  138    HB   VAL  18           HB       VAL  18   2.261 -15.783  -0.509
  139   HG11  VAL  18          HG11      VAL  18   2.404 -14.857   1.771
  140   HG12  VAL  18          HG12      VAL  18   3.917 -15.747   2.060
  141   HG13  VAL  18          HG13      VAL  18   3.853 -14.438   0.858
  142   HG21  VAL  18          HG21      VAL  18   4.865 -17.219   0.161
  143   HG22  VAL  18          HG22      VAL  18   3.961 -17.325  -1.366
  144   HG23  VAL  18          HG23      VAL  18   4.699 -15.800  -0.899
  145    H    GLN  19           H        GLN  19   1.819 -17.307   3.307
  146    HA   GLN  19           HA       GLN  19  -0.957 -17.629   3.472
  147    HB2  GLN  19           HB2      GLN  19   0.729 -17.971   5.256
  148    HB3  GLN  19           HB3      GLN  19   0.936 -16.229   5.419
  149    HG2  GLN  19           HG2      GLN  19  -1.330 -15.970   6.234
  150    HG3  GLN  19           HG3      GLN  19  -1.745 -17.631   5.819
  151   HE21  GLN  19          HE22      GLN  19  -0.111 -19.376   6.920
  152   HE22  GLN  19          HE21      GLN  19   0.144 -19.064   8.618
  153    H    GLY  20           H        GLY  20  -2.508 -16.384   2.663
  154    HA2  GLY  20           HA2      GLY  20  -3.899 -14.545   2.661
  155    HA3  GLY  20           HA3      GLY  20  -2.599 -13.523   3.277
  156    H    ALA  21           H        ALA  21  -1.264 -15.158   0.619
  157    HA   ALA  21           HA       ALA  21  -1.361 -12.768  -1.026
  158    HB1  ALA  21           HB1      ALA  21  -0.363 -15.585  -1.605
  159    HB2  ALA  21           HB2      ALA  21  -0.105 -14.160  -2.638
  160    HB3  ALA  21           HB3      ALA  21   0.611 -14.211  -1.012
  161    H    ILE  22           H        ILE  22  -2.209 -12.619  -3.153
  162    HA   ILE  22           HA       ILE  22  -4.747 -14.054  -3.673
  163    HB   ILE  22           HB       ILE  22  -3.379 -12.019  -5.462
  164   HG12  ILE  22          HG12      ILE  22  -3.401 -10.822  -3.365
  165   HG13  ILE  22          HG13      ILE  22  -4.567 -10.150  -4.471
  166   HG21  ILE  22          HG21      ILE  22  -5.730 -11.376  -6.065
  167   HG22  ILE  22          HG22      ILE  22  -5.312 -13.023  -6.499
  168   HG23  ILE  22          HG23      ILE  22  -6.314 -12.724  -5.066
  169   HD11  ILE  22          HD11      ILE  22  -6.426 -11.235  -3.245
  170   HD12  ILE  22          HD12      ILE  22  -5.261 -12.009  -2.144
  171   HD13  ILE  22          HD13      ILE  22  -5.436 -10.246  -2.162
  172    H    ASN  23           H        ASN  23  -4.934 -15.042  -5.935
  173    HA   ASN  23           HA       ASN  23  -2.379 -15.521  -7.311
  174    HB2  ASN  23           HB2      ASN  23  -2.714 -17.683  -6.347
  175    HB3  ASN  23           HB3      ASN  23  -4.424 -17.715  -6.786
  176   HD21  ASN  23          HD22      ASN  23  -1.235 -18.694  -7.818
  177   HD22  ASN  23          HD21      ASN  23  -1.616 -18.925  -9.513
  178    H    ILE  24           H        ILE  24  -2.515 -14.983  -9.336
  179    HA   ILE  24           HA       ILE  24  -5.022 -15.227 -10.784
  180    HB   ILE  24           HB       ILE  24  -3.515 -12.585 -11.012
  181   HG12  ILE  24          HG12      ILE  24  -6.158 -13.005  -9.570
  182   HG13  ILE  24          HG13      ILE  24  -4.618 -12.578  -8.808
  183   HG21  ILE  24          HG21      ILE  24  -4.627 -13.524 -13.004
  184   HG22  ILE  24          HG22      ILE  24  -6.177 -13.457 -12.129
  185   HG23  ILE  24          HG23      ILE  24  -5.239 -11.975 -12.484
  186   HD11  ILE  24          HD11      ILE  24  -4.567 -10.459 -10.132
  187   HD12  ILE  24          HD12      ILE  24  -6.214 -10.836 -10.701
  188   HD13  ILE  24          HD13      ILE  24  -5.907 -10.586  -8.978
  189    HA   PRO  25           HA       PRO  25  -1.356 -17.010 -12.678
  190    HB2  PRO  25           HB2      PRO  25  -2.417 -18.176 -14.921
  191    HB3  PRO  25           HB3      PRO  25  -2.657 -18.819 -13.264
  192    HG2  PRO  25           HG2      PRO  25  -4.543 -17.059 -14.851
  193    HG3  PRO  25           HG3      PRO  25  -4.922 -18.567 -13.958
  194    HD2  PRO  25           HD2      PRO  25  -5.322 -16.088 -12.884
  195    HD3  PRO  25           HD3      PRO  25  -4.792 -17.469 -11.871
  196    H    LEU  26           H        LEU  26   0.078 -16.455 -14.412
  197    HA   LEU  26           HA       LEU  26   0.221 -13.796 -14.891
  198    HB2  LEU  26           HB2      LEU  26   2.007 -15.482 -15.081
  199    HB3  LEU  26           HB3      LEU  26   1.419 -15.981 -16.657
  200    HG   LEU  26           HG       LEU  26   2.208 -13.082 -16.153
  201   HD11  LEU  26          HD11      LEU  26   4.514 -13.608 -16.781
  202   HD12  LEU  26          HD12      LEU  26   4.065 -14.540 -15.349
  203   HD13  LEU  26          HD13      LEU  26   4.112 -15.331 -16.936
  204   HD21  LEU  26          HD21      LEU  26   1.194 -13.498 -18.367
  205   HD22  LEU  26          HD22      LEU  26   2.916 -13.228 -18.568
  206   HD23  LEU  26          HD23      LEU  26   2.278 -14.879 -18.634
  207    H    LYS  27           H        LYS  27  -1.233 -16.109 -17.176
  208    HA   LYS  27           HA       LYS  27  -1.704 -14.420 -19.349
  209    HB2  LYS  27           HB2      LYS  27  -3.385 -16.020 -20.042
  210    HB3  LYS  27           HB3      LYS  27  -1.988 -16.861 -19.377
  211    HG2  LYS  27           HG2      LYS  27  -3.275 -17.125 -17.195
  212    HG3  LYS  27           HG3      LYS  27  -4.687 -16.418 -18.006
  213    HD2  LYS  27           HD2      LYS  27  -4.613 -18.258 -19.699
  214    HD3  LYS  27           HD3      LYS  27  -3.195 -18.922 -18.888
  215    HE2  LYS  27           HE2      LYS  27  -4.973 -20.246 -18.144
  216    HE3  LYS  27           HE3      LYS  27  -4.593 -19.190 -16.785
  217    HZ1  LYS  27           HZ1      LYS  27  -6.988 -19.439 -17.251
  218    HZ2  LYS  27           HZ2      LYS  27  -6.561 -17.875 -17.307
  219    HZ3  LYS  27           HZ3      LYS  27  -6.816 -18.720 -18.698
  220    H    GLU  28           H        GLU  28  -3.373 -14.428 -16.264
  221    HA   GLU  28           HA       GLU  28  -5.447 -12.582 -17.323
  222    HB2  GLU  28           HB2      GLU  28  -5.448 -14.826 -15.358
  223    HB3  GLU  28           HB3      GLU  28  -6.297 -13.381 -14.812
  224    HG2  GLU  28           HG2      GLU  28  -7.791 -13.349 -16.586
  225    HG3  GLU  28           HG3      GLU  28  -6.781 -14.397 -17.608
  226    H    VAL  29           H        VAL  29  -2.797 -12.850 -14.954
  227    HA   VAL  29           HA       VAL  29  -3.623 -10.681 -13.366
  228    HB   VAL  29           HB       VAL  29  -1.627 -12.346 -13.155
  229   HG11  VAL  29          HG11      VAL  29  -0.258 -11.510 -15.061
  230   HG12  VAL  29          HG12      VAL  29  -0.039  -9.976 -14.199
  231   HG13  VAL  29          HG13      VAL  29   0.589 -11.481 -13.513
  232   HG21  VAL  29          HG21      VAL  29  -1.349  -9.490 -12.133
  233   HG22  VAL  29          HG22      VAL  29  -2.448 -10.707 -11.457
  234   HG23  VAL  29          HG23      VAL  29  -0.694 -10.960 -11.381
  235    H    LYS  30           H        LYS  30  -1.972 -10.726 -16.416
  236    HA   LYS  30           HA       LYS  30  -1.356  -8.015 -16.760
  237    HB2  LYS  30           HB2      LYS  30  -0.693 -10.145 -18.095
  238    HB3  LYS  30           HB3      LYS  30  -2.229  -9.977 -18.945
  239    HG2  LYS  30           HG2      LYS  30  -1.501  -7.724 -19.758
  240    HG3  LYS  30           HG3      LYS  30   0.010  -7.906 -18.845
  241    HD2  LYS  30           HD2      LYS  30   0.615  -9.868 -20.226
  242    HD3  LYS  30           HD3      LYS  30  -0.929  -9.737 -21.100
  243    HE2  LYS  30           HE2      LYS  30  -0.291  -7.451 -21.861
  244    HE3  LYS  30           HE3      LYS  30   1.257  -7.604 -21.024
  245    HZ1  LYS  30           HZ1      LYS  30   0.353  -9.312 -23.274
  246    HZ2  LYS  30           HZ2      LYS  30   1.462  -8.126 -23.372
  247    HZ3  LYS  30           HZ3      LYS  30   1.787  -9.467 -22.505
  248    H    GLU  31           H        GLU  31  -4.569  -9.329 -16.672
  249    HA   GLU  31           HA       GLU  31  -5.540  -6.679 -17.613
  250    HB2  GLU  31           HB2      GLU  31  -7.486  -7.639 -18.603
  251    HB3  GLU  31           HB3      GLU  31  -6.014  -8.254 -19.364
  252    HG2  GLU  31           HG2      GLU  31  -6.188 -10.331 -18.064
  253    HG3  GLU  31           HG3      GLU  31  -7.629  -9.716 -17.249
  254    H    ARG  32           H        ARG  32  -5.868  -9.312 -15.275
  255    HA   ARG  32           HA       ARG  32  -8.185  -8.109 -14.047
  256    HB2  ARG  32           HB2      ARG  32  -6.395 -10.370 -13.123
  257    HB3  ARG  32           HB3      ARG  32  -7.836  -9.811 -12.265
  258    HG2  ARG  32           HG2      ARG  32  -9.100 -10.147 -14.512
  259    HG3  ARG  32           HG3      ARG  32  -7.697 -11.110 -15.001
  260    HD2  ARG  32           HD2      ARG  32  -8.005 -12.482 -12.892
  261    HD3  ARG  32           HD3      ARG  32  -9.487 -11.589 -12.563
  262    HE   ARG  32           HE       ARG  32  -9.052 -13.737 -14.487
  263   HH11  ARG  32          HH12      ARG  32 -11.261 -11.031 -13.750
  264   HH12  ARG  32          HH11      ARG  32 -12.557 -11.713 -14.660
  265   HH21  ARG  32          HH21      ARG  32 -10.630 -14.578 -15.601
  266   HH22  ARG  32          HH22      ARG  32 -12.210 -13.835 -15.773
  267    H    ILE  33           H        ILE  33  -4.666  -7.832 -13.494
  268    HA   ILE  33           HA       ILE  33  -4.894  -6.858 -10.842
  269    HB   ILE  33           HB       ILE  33  -2.746  -7.530 -12.035
  270   HG12  ILE  33          HG12      ILE  33  -1.345  -5.760 -10.807
  271   HG13  ILE  33          HG13      ILE  33  -2.860  -5.005 -10.320
  272   HG21  ILE  33          HG21      ILE  33  -2.698  -4.643 -12.967
  273   HG22  ILE  33          HG22      ILE  33  -1.467  -5.879 -13.212
  274   HG23  ILE  33          HG23      ILE  33  -3.022  -6.022 -14.039
  275   HD11  ILE  33          HD11      ILE  33  -3.539  -7.105  -9.192
  276   HD12  ILE  33          HD12      ILE  33  -2.052  -7.891  -9.764
  277   HD13  ILE  33          HD13      ILE  33  -1.960  -6.543  -8.610
  278    H    ALA  34           H        ALA  34  -5.388  -5.269 -13.969
  279    HA   ALA  34           HA       ALA  34  -5.535  -2.640 -13.053
  280    HB1  ALA  34           HB1      ALA  34  -6.846  -2.231 -15.128
  281    HB2  ALA  34           HB2      ALA  34  -5.514  -3.359 -15.461
  282    HB3  ALA  34           HB3      ALA  34  -7.176  -3.970 -15.270
  283    H    THR  35           H        THR  35  -7.799  -5.176 -12.351
  284    HA   THR  35           HA       THR  35  -9.802  -3.173 -11.415
  285    HB   THR  35           HB       THR  35 -10.140  -6.159 -11.888
  286    HG1  THR  35           HG1      THR  35  -9.730  -5.036 -13.823
  287   HG21  THR  35          HG21      THR  35 -12.187  -3.928 -11.476
  288   HG22  THR  35          HG22      THR  35 -12.568  -5.610 -11.919
  289   HG23  THR  35          HG23      THR  35 -11.834  -5.257 -10.350
  290    H    ALA  36           H        ALA  36  -7.619  -5.795 -10.445
  291    HA   ALA  36           HA       ALA  36  -8.703  -6.006  -7.753
  292    HB1  ALA  36           HB1      ALA  36  -6.051  -7.000  -8.888
  293    HB2  ALA  36           HB2      ALA  36  -6.782  -7.490  -7.349
  294    HB3  ALA  36           HB3      ALA  36  -7.579  -7.910  -8.875
  295    H    VAL  37           H        VAL  37  -6.072  -4.212  -9.293
  296    HA   VAL  37           HA       VAL  37  -5.538  -2.654  -6.848
  297    HB   VAL  37           HB       VAL  37  -3.283  -3.911  -8.457
  298   HG11  VAL  37          HG11      VAL  37  -1.955  -3.263  -6.498
  299   HG12  VAL  37          HG12      VAL  37  -2.739  -1.860  -7.220
  300   HG13  VAL  37          HG13      VAL  37  -3.398  -2.564  -5.727
  301   HG21  VAL  37          HG21      VAL  37  -2.874  -5.448  -6.576
  302   HG22  VAL  37          HG22      VAL  37  -4.445  -4.988  -5.872
  303   HG23  VAL  37          HG23      VAL  37  -4.355  -5.813  -7.446
  304    HA   PRO  38           HA       PRO  38  -5.924  -0.348 -10.888
  305    HB2  PRO  38           HB2      PRO  38  -7.494   1.738  -9.996
  306    HB3  PRO  38           HB3      PRO  38  -8.134   0.165 -10.558
  307    HG2  PRO  38           HG2      PRO  38  -7.609   1.052  -7.709
  308    HG3  PRO  38           HG3      PRO  38  -9.069   0.246  -8.369
  309    HD2  PRO  38           HD2      PRO  38  -7.125  -1.151  -7.079
  310    HD3  PRO  38           HD3      PRO  38  -7.964  -1.844  -8.499
  311    H    ASP  39           H        ASP  39  -4.852   0.567  -7.648
  312    HA   ASP  39           HA       ASP  39  -3.521   3.031  -8.430
  313    HB2  ASP  39           HB2      ASP  39  -4.166   2.711  -6.122
  314    HB3  ASP  39           HB3      ASP  39  -3.208   1.230  -6.007
  315    H    LYS  40           H        LYS  40  -2.095   2.775 -10.096
  316    HA   LYS  40           HA       LYS  40  -0.426   0.525 -10.515
  317    HB2  LYS  40           HB2      LYS  40  -0.268   3.406 -11.501
  318    HB3  LYS  40           HB3      LYS  40   0.869   2.166 -11.999
  319    HG2  LYS  40           HG2      LYS  40  -1.200   0.742 -12.651
  320    HG3  LYS  40           HG3      LYS  40  -2.118   2.250 -12.522
  321    HD2  LYS  40           HD2      LYS  40  -0.579   3.282 -14.212
  322    HD3  LYS  40           HD3      LYS  40   0.299   1.737 -14.314
  323    HE2  LYS  40           HE2      LYS  40  -1.848   0.614 -14.984
  324    HE3  LYS  40           HE3      LYS  40  -2.629   2.200 -15.020
  325    HZ1  LYS  40           HZ1      LYS  40  -1.023   2.847 -16.749
  326    HZ2  LYS  40           HZ2      LYS  40  -0.358   1.341 -16.734
  327    HZ3  LYS  40           HZ3      LYS  40  -1.904   1.559 -17.215
  328    H    ASN  41           H        ASN  41  -0.054   2.929  -8.065
  329    HA   ASN  41           HA       ASN  41   2.877   2.447  -7.892
  330    HB2  ASN  41           HB2      ASN  41   1.626   4.803  -7.789
  331    HB3  ASN  41           HB3      ASN  41   1.395   4.357  -6.101
  332   HD21  ASN  41          HD22      ASN  41   3.715   3.338  -5.189
  333   HD22  ASN  41          HD21      ASN  41   5.058   4.434  -5.476
  334    H    ASP  42           H        ASP  42   0.197   0.770  -6.916
  335    HA   ASP  42           HA       ASP  42   0.814   0.287  -4.116
  336    HB2  ASP  42           HB2      ASP  42  -1.309  -0.446  -5.369
  337    HB3  ASP  42           HB3      ASP  42  -0.277  -1.731  -6.063
  338    H    THR  43           H        THR  43   2.210  -1.338  -3.269
  339    HA   THR  43           HA       THR  43   4.311  -2.247  -5.022
  340    HB   THR  43           HB       THR  43   3.895  -2.986  -2.118
  341    HG1  THR  43           HG1      THR  43   4.057  -0.868  -2.073
  342   HG21  THR  43          HG21      THR  43   6.341  -3.356  -2.266
  343   HG22  THR  43          HG22      THR  43   5.416  -4.392  -3.378
  344   HG23  THR  43          HG23      THR  43   6.266  -2.978  -4.016
  345    H    VAL  44           H        VAL  44   3.050  -3.416  -6.542
  346    HA   VAL  44           HA       VAL  44   1.697  -5.876  -5.695
  347    HB   VAL  44           HB       VAL  44   2.505  -5.116  -8.541
  348   HG11  VAL  44          HG11      VAL  44   0.348  -6.951  -7.410
  349   HG12  VAL  44          HG12      VAL  44   0.689  -6.676  -9.134
  350   HG13  VAL  44          HG13      VAL  44   1.876  -7.505  -8.115
  351   HG21  VAL  44          HG21      VAL  44   0.138  -4.325  -8.788
  352   HG22  VAL  44          HG22      VAL  44  -0.066  -4.476  -7.027
  353   HG23  VAL  44          HG23      VAL  44   1.079  -3.299  -7.704
  354    H    LYS  45           H        LYS  45   3.102  -7.218  -4.655
  355    HA   LYS  45           HA       LYS  45   5.723  -7.832  -5.847
  356    HB2  LYS  45           HB2      LYS  45   4.329  -9.143  -3.471
  357    HB3  LYS  45           HB3      LYS  45   6.020  -9.331  -3.972
  358    HG2  LYS  45           HG2      LYS  45   6.214  -6.769  -3.713
  359    HG3  LYS  45           HG3      LYS  45   4.624  -6.852  -2.916
  360    HD2  LYS  45           HD2      LYS  45   5.470  -8.159  -1.146
  361    HD3  LYS  45           HD3      LYS  45   7.023  -8.463  -1.953
  362    HE2  LYS  45           HE2      LYS  45   7.703  -6.170  -1.686
  363    HE3  LYS  45           HE3      LYS  45   6.070  -5.669  -1.221
  364    HZ1  LYS  45           HZ1      LYS  45   7.535  -5.865   0.697
  365    HZ2  LYS  45           HZ2      LYS  45   6.263  -6.891   0.804
  366    HZ3  LYS  45           HZ3      LYS  45   7.772  -7.456   0.415
  367    H    VAL  46           H        VAL  46   6.086  -9.671  -7.110
  368    HA   VAL  46           HA       VAL  46   3.760 -11.493  -7.506
  369    HB   VAL  46           HB       VAL  46   4.477 -11.732  -9.852
  370   HG11  VAL  46          HG11      VAL  46   2.622 -10.213  -9.191
  371   HG12  VAL  46          HG12      VAL  46   3.766  -8.856  -9.105
  372   HG13  VAL  46          HG13      VAL  46   3.459  -9.668 -10.653
  373   HG21  VAL  46          HG21      VAL  46   6.846 -10.889  -9.630
  374   HG22  VAL  46          HG22      VAL  46   5.929 -10.132 -10.941
  375   HG23  VAL  46          HG23      VAL  46   6.196  -9.248  -9.436
  376    H    TYR  47           H        TYR  47   4.152 -13.671  -7.561
  377    HA   TYR  47           HA       TYR  47   6.916 -14.632  -7.558
  378    HB2  TYR  47           HB2      TYR  47   6.836 -15.848  -5.588
  379    HB3  TYR  47           HB3      TYR  47   6.276 -14.256  -5.133
  380    HD1  TYR  47           HD1      TYR  47   3.887 -13.860  -4.559
  381    HD2  TYR  47           HD2      TYR  47   5.391 -17.809  -5.441
  382    HE1  TYR  47           HE1      TYR  47   1.939 -14.856  -3.416
  383    HE2  TYR  47           HE2      TYR  47   3.405 -18.810  -4.356
  384    HH   TYR  47           HH       TYR  47   0.818 -16.832  -2.882
  385    H    CYS  48           H        CYS  48   6.797 -17.169  -7.636
  386    HA   CYS  48           HA       CYS  48   4.419 -18.335  -8.661
  387    HB2  CYS  48           HB2      CYS  48   5.230 -18.893 -10.912
  388    HB3  CYS  48           HB3      CYS  48   5.175 -17.143 -10.709
  389    HG   CYS  48           HG       CYS  48   7.699 -16.820 -10.105
  390    H    ASN  49           H        ASN  49   5.922 -20.565  -9.935
  391    HA   ASN  49           HA       ASN  49   6.615 -21.908  -7.442
  392    HB2  ASN  49           HB2      ASN  49   5.445 -23.043  -9.360
  393    HB3  ASN  49           HB3      ASN  49   6.914 -22.870 -10.317
  394   HD21  ASN  49          HD22      ASN  49   7.636 -25.004 -10.483
  395   HD22  ASN  49          HD21      ASN  49   7.929 -26.045  -9.114
  396    H    ALA  50           H        ALA  50   8.466 -20.587 -10.220
  397    HA   ALA  50           HA       ALA  50  11.012 -21.299  -8.832
  398    HB1  ALA  50           HB1      ALA  50  11.832 -22.253 -10.938
  399    HB2  ALA  50           HB2      ALA  50  10.348 -23.074 -10.436
  400    HB3  ALA  50           HB3      ALA  50  10.294 -21.867 -11.741
  401    H    GLY  51           H        GLY  51   9.517 -18.626  -9.488
  402    HA2  GLY  51           HA2      GLY  51  10.352 -16.504  -9.566
  403    HA3  GLY  51           HA3      GLY  51  11.963 -17.157  -9.858
  404    H    ARG  52           H        ARG  52  11.238 -18.578 -12.371
  405    HA   ARG  52           HA       ARG  52  11.775 -16.454 -14.131
  406    HB2  ARG  52           HB2      ARG  52  11.472 -18.046 -15.969
  407    HB3  ARG  52           HB3      ARG  52  12.469 -18.677 -14.663
  408    HG2  ARG  52           HG2      ARG  52  10.550 -20.043 -13.847
  409    HG3  ARG  52           HG3      ARG  52   9.554 -19.424 -15.181
  410    HD2  ARG  52           HD2      ARG  52  11.090 -20.391 -16.825
  411    HD3  ARG  52           HD3      ARG  52  12.157 -20.966 -15.545
  412    HE   ARG  52           HE       ARG  52   9.492 -22.003 -16.311
  413   HH11  ARG  52          HH11      ARG  52  12.280 -22.328 -14.130
  414   HH12  ARG  52          HH12      ARG  52  11.843 -23.903 -13.582
  415   HH21  ARG  52          HH21      ARG  52   8.907 -24.090 -15.570
  416   HH22  ARG  52          HH22      ARG  52   9.879 -24.920 -14.417
  417    H    GLN  53           H        GLN  53   8.577 -17.977 -13.499
  418    HA   GLN  53           HA       GLN  53   7.319 -16.475 -15.610
  419    HB2  GLN  53           HB2      GLN  53   6.579 -18.694 -14.611
  420    HB3  GLN  53           HB3      GLN  53   5.917 -17.782 -13.246
  421    HG2  GLN  53           HG2      GLN  53   4.293 -16.720 -14.599
  422    HG3  GLN  53           HG3      GLN  53   5.134 -17.159 -16.096
  423   HE21  GLN  53          HE22      GLN  53   2.485 -18.079 -14.088
  424   HE22  GLN  53          HE21      GLN  53   2.287 -19.667 -14.784
  425    H    SER  54           H        SER  54   7.722 -15.939 -12.054
  426    HA   SER  54           HA       SER  54   6.121 -13.541 -12.054
  427    HB2  SER  54           HB2      SER  54   7.283 -13.197  -9.829
  428    HB3  SER  54           HB3      SER  54   6.325 -14.668 -10.029
  429    HG   SER  54           HG       SER  54   8.432 -15.056  -9.063
  430    H    GLY  55           H        GLY  55   9.534 -14.250 -12.807
  431    HA2  GLY  55           HA2      GLY  55  10.504 -11.583 -12.840
  432    HA3  GLY  55           HA3      GLY  55  11.095 -12.933 -13.833
  433    H    GLN  56           H        GLN  56   9.046 -13.592 -15.470
  434    HA   GLN  56           HA       GLN  56   8.895 -11.494 -17.395
  435    HB2  GLN  56           HB2      GLN  56   7.360 -14.082 -16.992
  436    HB3  GLN  56           HB3      GLN  56   6.994 -12.995 -18.331
  437    HG2  GLN  56           HG2      GLN  56   9.862 -13.902 -17.884
  438    HG3  GLN  56           HG3      GLN  56   8.698 -14.970 -18.657
  439   HE21  GLN  56          HE22      GLN  56  10.324 -11.714 -19.032
  440   HE22  GLN  56          HE21      GLN  56  10.003 -11.651 -20.747
  441    H    ALA  57           H        ALA  57   6.492 -12.533 -14.883
  442    HA   ALA  57           HA       ALA  57   4.554 -10.602 -15.595
  443    HB1  ALA  57           HB1      ALA  57   5.156 -11.685 -12.821
  444    HB2  ALA  57           HB2      ALA  57   3.672 -10.864 -13.334
  445    HB3  ALA  57           HB3      ALA  57   4.092 -12.433 -14.046
  446    H    LYS  58           H        LYS  58   7.454 -10.222 -13.427
  447    HA   LYS  58           HA       LYS  58   6.776  -7.642 -12.572
  448    HB2  LYS  58           HB2      LYS  58   8.516  -8.720 -11.425
  449    HB3  LYS  58           HB3      LYS  58   9.530  -8.846 -12.875
  450    HG2  LYS  58           HG2      LYS  58   9.959  -6.511 -12.944
  451    HG3  LYS  58           HG3      LYS  58   8.613  -6.124 -11.870
  452    HD2  LYS  58           HD2      LYS  58   9.763  -7.068  -9.967
  453    HD3  LYS  58           HD3      LYS  58  11.121  -7.598 -11.006
  454    HE2  LYS  58           HE2      LYS  58  11.409  -5.140 -11.642
  455    HE3  LYS  58           HE3      LYS  58  10.253  -4.742 -10.367
  456    HZ1  LYS  58           HZ1      LYS  58  12.523  -4.564  -9.585
  457    HZ2  LYS  58           HZ2      LYS  58  11.816  -5.779  -8.755
  458    HZ3  LYS  58           HZ3      LYS  58  12.862  -6.104  -9.975
  459    H    GLU  59           H        GLU  59   8.473  -8.760 -15.514
  460    HA   GLU  59           HA       GLU  59   9.262  -6.150 -16.445
  461    HB2  GLU  59           HB2      GLU  59   8.879  -8.818 -17.882
  462    HB3  GLU  59           HB3      GLU  59   9.547  -7.375 -18.643
  463    HG2  GLU  59           HG2      GLU  59  11.436  -7.348 -17.121
  464    HG3  GLU  59           HG3      GLU  59  10.778  -8.676 -16.177
  465    H    ILE  60           H        ILE  60   6.550  -8.348 -17.212
  466    HA   ILE  60           HA       ILE  60   5.229  -6.771 -19.123
  467    HB   ILE  60           HB       ILE  60   4.456  -8.964 -17.188
  468   HG12  ILE  60          HG12      ILE  60   4.494  -8.881 -20.241
  469   HG13  ILE  60          HG13      ILE  60   5.886  -9.344 -19.270
  470   HG21  ILE  60          HG21      ILE  60   2.404  -7.705 -17.345
  471   HG22  ILE  60          HG22      ILE  60   2.527  -7.653 -19.121
  472   HG23  ILE  60          HG23      ILE  60   2.252  -9.192 -18.257
  473   HD11  ILE  60          HD11      ILE  60   3.238 -10.827 -19.425
  474   HD12  ILE  60          HD12      ILE  60   4.824 -11.353 -20.003
  475   HD13  ILE  60          HD13      ILE  60   4.532 -11.206 -18.260
  476    H    LEU  61           H        LEU  61   4.695  -6.850 -15.531
  477    HA   LEU  61           HA       LEU  61   2.632  -4.866 -15.702
  478    HB2  LEU  61           HB2      LEU  61   4.320  -5.796 -13.370
  479    HB3  LEU  61           HB3      LEU  61   2.961  -4.671 -13.230
  480    HG   LEU  61           HG       LEU  61   2.809  -7.558 -14.171
  481   HD11  LEU  61          HD11      LEU  61   1.549  -7.913 -12.090
  482   HD12  LEU  61          HD12      LEU  61   3.150  -7.250 -11.732
  483   HD13  LEU  61          HD13      LEU  61   1.722  -6.194 -11.669
  484   HD21  LEU  61          HD21      LEU  61   0.637  -5.461 -14.026
  485   HD22  LEU  61          HD22      LEU  61   1.125  -6.465 -15.413
  486   HD23  LEU  61          HD23      LEU  61   0.315  -7.217 -14.051
  487    H    SER  62           H        SER  62   6.174  -4.639 -15.292
  488    HA   SER  62           HA       SER  62   6.217  -1.834 -14.678
  489    HB2  SER  62           HB2      SER  62   8.334  -3.534 -16.062
  490    HB3  SER  62           HB3      SER  62   8.572  -1.950 -15.304
  491    HG   SER  62           HG       SER  62   7.904  -4.428 -14.095
  492    H    GLU  63           H        GLU  63   6.288  -3.657 -17.818
  493    HA   GLU  63           HA       GLU  63   6.471  -1.325 -19.448
  494    HB2  GLU  63           HB2      GLU  63   5.483  -4.156 -19.956
  495    HB3  GLU  63           HB3      GLU  63   5.486  -2.928 -21.216
  496    HG2  GLU  63           HG2      GLU  63   7.980  -3.777 -19.678
  497    HG3  GLU  63           HG3      GLU  63   7.482  -4.451 -21.224
  498    H    MET  64           H        MET  64   3.688  -2.998 -17.976
  499    HA   MET  64           HA       MET  64   1.667  -1.325 -19.207
  500    HB2  MET  64           HB2      MET  64   1.689  -3.077 -16.723
  501    HB3  MET  64           HB3      MET  64   0.265  -2.197 -17.271
  502    HG2  MET  64           HG2      MET  64   0.110  -3.420 -19.285
  503    HG3  MET  64           HG3      MET  64   1.733  -4.084 -19.122
  504    HE1  MET  64           HE1      MET  64  -1.874  -4.081 -17.426
  505    HE2  MET  64           HE2      MET  64  -1.716  -5.459 -16.315
  506    HE3  MET  64           HE3      MET  64  -0.791  -3.982 -16.012
  507    H    GLY  65           H        GLY  65   4.142  -0.411 -17.118
  508    HA2  GLY  65           HA2      GLY  65   4.520   1.705 -16.372
  509    HA3  GLY  65           HA3      GLY  65   2.840   2.148 -16.708
  510    H    TYR  66           H        TYR  66   3.330  -0.711 -14.694
  511    HA   TYR  66           HA       TYR  66   2.297   0.694 -12.332
  512    HB2  TYR  66           HB2      TYR  66   3.174  -2.162 -12.830
  513    HB3  TYR  66           HB3      TYR  66   2.776  -1.536 -11.235
  514    HD1  TYR  66           HD1      TYR  66   1.248  -1.584 -14.707
  515    HD2  TYR  66           HD2      TYR  66   0.609  -1.925 -10.451
  516    HE1  TYR  66           HE1      TYR  66  -1.171  -1.817 -15.100
  517    HE2  TYR  66           HE2      TYR  66  -1.818  -2.248 -10.847
  518    HH   TYR  66           HH       TYR  66  -3.264  -2.023 -14.135
  519    H    THR  67           H        THR  67   3.552   1.704 -10.854
  520    HA   THR  67           HA       THR  67   6.369   1.993 -11.595
  521    HB   THR  67           HB       THR  67   6.085   4.003 -10.015
  522    HG1  THR  67           HG1      THR  67   4.033   4.507  -9.424
  523   HG21  THR  67          HG21      THR  67   5.899   4.157 -12.510
  524   HG22  THR  67          HG22      THR  67   4.154   3.843 -12.372
  525   HG23  THR  67          HG23      THR  67   4.856   5.312 -11.664
  526    H    HIS  68           H        HIS  68   4.729   0.134  -9.255
  527    HA   HIS  68           HA       HIS  68   7.170   0.072  -7.580
  528    HB2  HIS  68           HB2      HIS  68   4.759   1.355  -6.878
  529    HB3  HIS  68           HB3      HIS  68   4.662  -0.176  -6.038
  530    HD1  HIS  68           HD1      HIS  68   5.862  -0.125  -3.692
  531    HD2  HIS  68           HD2      HIS  68   7.174   2.770  -6.464
  532    HE1  HIS  68           HE1      HIS  68   7.538   1.335  -2.460
  533    H    VAL  69           H        VAL  69   6.280  -1.721  -9.634
  534    HA   VAL  69           HA       VAL  69   5.277  -4.176  -8.482
  535    HB   VAL  69           HB       VAL  69   7.092  -3.815 -10.912
  536   HG11  VAL  69          HG11      VAL  69   6.933  -6.168 -10.242
  537   HG12  VAL  69          HG12      VAL  69   5.160  -6.047 -10.125
  538   HG13  VAL  69          HG13      VAL  69   5.968  -5.895 -11.697
  539   HG21  VAL  69          HG21      VAL  69   5.073  -3.777 -12.284
  540   HG22  VAL  69          HG22      VAL  69   4.046  -3.811 -10.826
  541   HG23  VAL  69          HG23      VAL  69   5.086  -2.411 -11.190
  542    H    GLU  70           H        GLU  70   6.502  -5.953  -7.633
  543    HA   GLU  70           HA       GLU  70   9.405  -5.708  -7.746
  544    HB2  GLU  70           HB2      GLU  70   8.712  -4.707  -5.526
  545    HB3  GLU  70           HB3      GLU  70   8.001  -6.273  -5.103
  546    HG2  GLU  70           HG2      GLU  70  10.213  -5.933  -4.098
  547    HG3  GLU  70           HG3      GLU  70  10.160  -7.347  -5.144
  548    H    ASN  71           H        ASN  71  10.473  -7.752  -7.484
  549    HA   ASN  71           HA       ASN  71   8.673 -10.054  -8.146
  550    HB2  ASN  71           HB2      ASN  71  10.383  -9.494  -9.877
  551    HB3  ASN  71           HB3      ASN  71  11.662  -9.708  -8.668
  552   HD21  ASN  71          HD22      ASN  71   9.084 -11.321 -10.540
  553   HD22  ASN  71          HD21      ASN  71   9.628 -12.958 -10.180
  554    H    ALA  72           H        ALA  72   8.520 -11.631  -6.657
  555    HA   ALA  72           HA       ALA  72  10.342 -11.521  -4.317
  556    HB1  ALA  72           HB1      ALA  72   8.027 -10.933  -3.826
  557    HB2  ALA  72           HB2      ALA  72   7.465 -12.468  -4.521
  558    HB3  ALA  72           HB3      ALA  72   8.471 -12.464  -3.054
  559    H    GLY  73           H        GLY  73  10.306 -13.190  -7.092
  560    HA2  GLY  73           HA2      GLY  73  11.604 -15.012  -7.579
  561    HA3  GLY  73           HA3      GLY  73  11.800 -15.322  -5.855
  562    H    GLY  74           H        GLY  74  11.452 -17.506  -5.886
  563    HA2  GLY  74           HA2      GLY  74   8.877 -18.545  -6.954
  564    HA3  GLY  74           HA3      GLY  74  10.369 -19.480  -6.846
  565    H    LEU  75           H        LEU  75   7.695 -19.904  -5.629
  566    HA   LEU  75           HA       LEU  75   7.353 -19.165  -3.055
  567    HB2  LEU  75           HB2      LEU  75   5.732 -20.318  -4.506
  568    HB3  LEU  75           HB3      LEU  75   6.610 -21.836  -4.298
  569    HG   LEU  75           HG       LEU  75   6.061 -21.881  -1.912
  570   HD11  LEU  75          HD11      LEU  75   4.369 -20.210  -1.018
  571   HD12  LEU  75          HD12      LEU  75   5.972 -19.517  -1.308
  572   HD13  LEU  75          HD13      LEU  75   4.662 -19.231  -2.460
  573   HD21  LEU  75          HD21      LEU  75   4.485 -22.846  -3.550
  574   HD22  LEU  75          HD22      LEU  75   3.640 -22.217  -2.131
  575   HD23  LEU  75          HD23      LEU  75   3.629 -21.285  -3.639
  576    H    LYS  76           H        LYS  76   9.516 -21.757  -4.060
  577    HA   LYS  76           HA       LYS  76   9.841 -22.972  -1.492
  578    HB2  LYS  76           HB2      LYS  76  11.738 -24.118  -2.508
  579    HB3  LYS  76           HB3      LYS  76  10.345 -24.129  -3.586
  580    HG2  LYS  76           HG2      LYS  76  11.358 -22.266  -4.912
  581    HG3  LYS  76           HG3      LYS  76  12.760 -22.267  -3.824
  582    HD2  LYS  76           HD2      LYS  76  13.251 -24.615  -4.455
  583    HD3  LYS  76           HD3      LYS  76  11.851 -24.610  -5.552
  584    HE2  LYS  76           HE2      LYS  76  12.867 -22.756  -6.848
  585    HE3  LYS  76           HE3      LYS  76  14.248 -22.727  -5.745
  586    HZ1  LYS  76           HZ1      LYS  76  14.790 -24.979  -6.465
  587    HZ2  LYS  76           HZ2      LYS  76  13.513 -25.012  -7.486
  588    HZ3  LYS  76           HZ3      LYS  76  14.745 -23.977  -7.746
  589    H    ASP  77           H        ASP  77  11.022 -19.917  -2.608
  590    HA   ASP  77           HA       ASP  77  13.295 -19.993  -0.662
  591    HB2  ASP  77           HB2      ASP  77  13.876 -20.041  -3.076
  592    HB3  ASP  77           HB3      ASP  77  13.020 -18.517  -3.300
  593    H    ILE  78           H        ILE  78  10.258 -18.617  -1.016
  594    HA   ILE  78           HA       ILE  78  10.823 -15.874  -0.490
  595    HB   ILE  78           HB       ILE  78   8.253 -17.395   0.111
  596   HG12  ILE  78          HG12      ILE  78   9.288 -16.077  -2.440
  597   HG13  ILE  78          HG13      ILE  78   8.906 -17.775  -2.190
  598   HG21  ILE  78          HG21      ILE  78   7.135 -15.227  -0.107
  599   HG22  ILE  78          HG22      ILE  78   8.379 -15.087   1.116
  600   HG23  ILE  78          HG23      ILE  78   8.680 -14.432  -0.501
  601   HD11  ILE  78          HD11      ILE  78   6.905 -15.513  -2.390
  602   HD12  ILE  78          HD12      ILE  78   7.189 -16.843  -3.518
  603   HD13  ILE  78          HD13      ILE  78   6.506 -17.189  -1.923
  604    H    ALA  79           H        ALA  79  10.643 -18.656   1.641
  605    HA   ALA  79           HA       ALA  79  10.770 -18.949   3.869
  606    HB1  ALA  79           HB1      ALA  79  12.619 -17.816   4.984
  607    HB2  ALA  79           HB2      ALA  79  13.074 -18.286   3.336
  608    HB3  ALA  79           HB3      ALA  79  12.680 -16.590   3.701
  609    H    MET  80           H        MET  80   8.423 -17.948   3.442
  610    HA   MET  80           HA       MET  80   7.851 -16.158   5.724
  611    HB2  MET  80           HB2      MET  80   6.978 -15.798   2.827
  612    HB3  MET  80           HB3      MET  80   5.967 -15.228   4.142
  613    HG2  MET  80           HG2      MET  80   7.824 -13.867   5.038
  614    HG3  MET  80           HG3      MET  80   8.868 -14.430   3.735
  615    HE1  MET  80           HE1      MET  80   5.256 -11.563   3.123
  616    HE2  MET  80           HE2      MET  80   4.996 -13.297   3.376
  617    HE3  MET  80           HE3      MET  80   5.695 -12.302   4.678
  618    HA   PRO  81           HA       PRO  81   4.957 -19.269   6.671
  619    HB2  PRO  81           HB2      PRO  81   2.621 -17.958   7.419
  620    HB3  PRO  81           HB3      PRO  81   4.092 -18.101   8.425
  621    HG2  PRO  81           HG2      PRO  81   3.274 -15.805   6.627
  622    HG3  PRO  81           HG3      PRO  81   3.879 -15.732   8.316
  623    HD2  PRO  81           HD2      PRO  81   5.534 -15.275   6.251
  624    HD3  PRO  81           HD3      PRO  81   6.096 -16.261   7.628
  625    H    LYS  82           H        LYS  82   3.071 -20.443   6.009
  626    HA   LYS  82           HA       LYS  82   2.170 -19.766   3.245
  627    HB2  LYS  82           HB2      LYS  82   2.976 -22.510   4.306
  628    HB3  LYS  82           HB3      LYS  82   2.499 -22.132   2.660
  629    HG2  LYS  82           HG2      LYS  82   5.064 -21.209   4.016
  630    HG3  LYS  82           HG3      LYS  82   4.878 -22.534   2.861
  631    HD2  LYS  82           HD2      LYS  82   4.139 -20.943   1.118
  632    HD3  LYS  82           HD3      LYS  82   4.266 -19.611   2.263
  633    HE2  LYS  82           HE2      LYS  82   6.171 -19.547   0.825
  634    HE3  LYS  82           HE3      LYS  82   6.697 -19.933   2.461
  635    HZ1  LYS  82           HZ1      LYS  82   6.223 -22.149   0.576
  636    HZ2  LYS  82           HZ2      LYS  82   7.600 -21.258   0.422
  637    HZ3  LYS  82           HZ3      LYS  82   7.270 -22.058   1.821
  638    H    VAL  83           H        VAL  83   0.434 -21.339   2.587
  639    HA   VAL  83           HA       VAL  83  -1.257 -22.471   4.707
  640    HB   VAL  83           HB       VAL  83  -2.203 -20.652   2.447
  641   HG11  VAL  83          HG11      VAL  83  -3.898 -22.403   4.293
  642   HG12  VAL  83          HG12      VAL  83  -4.526 -21.165   3.185
  643   HG13  VAL  83          HG13      VAL  83  -3.724 -22.591   2.531
  644   HG21  VAL  83          HG21      VAL  83  -3.308 -19.366   4.238
  645   HG22  VAL  83          HG22      VAL  83  -2.662 -20.488   5.458
  646   HG23  VAL  83          HG23      VAL  83  -1.567 -19.467   4.512
  647    H    LYS  84           H        LYS  84  -2.157 -24.465   3.859
  648    HA   LYS  84           HA       LYS  84  -0.989 -25.392   1.289
  649    HB2  LYS  84           HB2      LYS  84  -0.616 -26.621   4.052
  650    HB3  LYS  84           HB3      LYS  84  -0.301 -27.488   2.546
  651    HG2  LYS  84           HG2      LYS  84   1.388 -25.846   1.886
  652    HG3  LYS  84           HG3      LYS  84   1.153 -24.926   3.376
  653    HD2  LYS  84           HD2      LYS  84   2.115 -27.816   3.203
  654    HD3  LYS  84           HD3      LYS  84   3.145 -26.395   3.431
  655    HE2  LYS  84           HE2      LYS  84   1.956 -25.871   5.557
  656    HE3  LYS  84           HE3      LYS  84   0.960 -27.317   5.353
  657    HZ1  LYS  84           HZ1      LYS  84   3.905 -27.314   5.682
  658    HZ2  LYS  84           HZ2      LYS  84   2.821 -27.734   6.822
  659    HZ3  LYS  84           HZ3      LYS  84   2.983 -28.651   5.487
  660    H    GLY  85           H        GLY  85  -1.954 -27.309   0.490
  661    HA2  GLY  85           HA2      GLY  85  -4.766 -27.558   0.694
  662    HA3  GLY  85           HA3      GLY  85  -3.658 -28.765   0.019
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1   0.748   0.298   1.222
    2    H2   ALA   1           H2       ALA   1  -0.816   0.788   1.136
    3    H3   ALA   1           H3       ALA   1  -0.460  -0.801   1.302
    4    HA   ALA   1           HA       ALA   1  -1.120  -0.342  -0.963
    5    HB1  ALA   1           HB1      ALA   1   0.211   1.161  -2.357
    6    HB2  ALA   1           HB2      ALA   1  -0.437   2.038  -0.976
    7    HB3  ALA   1           HB3      ALA   1   1.272   1.552  -0.992
    8    H    GLU   2           H        GLU   2  -0.541  -2.672  -0.453
    9    HA   GLU   2           HA       GLU   2   1.707  -3.507  -2.055
   10    HB2  GLU   2           HB2      GLU   2   2.811  -3.158   0.146
   11    HB3  GLU   2           HB3      GLU   2   1.580  -4.142   0.943
   12    HG2  GLU   2           HG2      GLU   2   2.350  -6.133  -0.341
   13    HG3  GLU   2           HG3      GLU   2   3.596  -5.145  -1.109
   14    H    HIS   3           H        HIS   3   1.344  -5.599  -2.802
   15    HA   HIS   3           HA       HIS   3  -0.628  -7.370  -1.542
   16    HB2  HIS   3           HB2      HIS   3  -0.686  -6.620  -4.508
   17    HB3  HIS   3           HB3      HIS   3  -1.525  -7.994  -3.803
   18    HD1  HIS   3           HD1      HIS   3  -3.363  -7.070  -1.670
   19    HD2  HIS   3           HD2      HIS   3  -2.267  -4.642  -4.930
   20    HE1  HIS   3           HE1      HIS   3  -5.185  -5.311  -1.890
   21    H    TRP   4           H        TRP   4  -0.234  -9.595  -2.308
   22    HA   TRP   4           HA       TRP   4   2.371  -9.974  -3.713
   23    HB2  TRP   4           HB2      TRP   4   1.064 -11.676  -1.550
   24    HB3  TRP   4           HB3      TRP   4   2.418 -12.197  -2.536
   25    HD1  TRP   4           HD1      TRP   4   1.650  -9.315  -0.058
   26    HE1  TRP   4           HE1      TRP   4   3.758  -8.736   1.244
   27    HE3  TRP   4           HE3      TRP   4   4.913 -12.601  -2.289
   28    HZ2  TRP   4           HZ2      TRP   4   6.383  -9.951   1.670
   29    HZ3  TRP   4           HZ3      TRP   4   7.210 -12.835  -1.405
   30    HH2  TRP   4           HH2      TRP   4   7.958 -11.527   0.561
   31    H    ILE   5           H        ILE   5   1.886 -10.695  -5.710
   32    HA   ILE   5           HA       ILE   5  -0.701 -12.096  -6.186
   33    HB   ILE   5           HB       ILE   5   0.862 -10.228  -8.005
   34   HG12  ILE   5          HG12      ILE   5  -0.213  -8.910  -6.268
   35   HG13  ILE   5          HG13      ILE   5  -1.023  -8.683  -7.811
   36   HG21  ILE   5          HG21      ILE   5  -0.247 -11.916  -9.329
   37   HG22  ILE   5          HG22      ILE   5  -1.746 -11.742  -8.406
   38   HG23  ILE   5          HG23      ILE   5  -1.182 -10.421  -9.456
   39   HD11  ILE   5          HD11      ILE   5  -2.862 -10.187  -7.049
   40   HD12  ILE   5          HD12      ILE   5  -2.039 -10.320  -5.473
   41   HD13  ILE   5          HD13      ILE   5  -2.641  -8.754  -6.031
   42    H    ASP   6           H        ASP   6  -0.137 -14.141  -6.113
   43    HA   ASP   6           HA       ASP   6   2.300 -15.302  -7.192
   44    HB2  ASP   6           HB2      ASP   6   0.967 -16.406  -5.429
   45    HB3  ASP   6           HB3      ASP   6  -0.443 -16.411  -6.489
   46    H    VAL   7           H        VAL   7   2.645 -15.613  -9.358
   47    HA   VAL   7           HA       VAL   7   0.356 -15.425 -11.246
   48    HB   VAL   7           HB       VAL   7   1.977 -14.684 -12.924
   49   HG11  VAL   7          HG11      VAL   7   0.721 -13.026 -11.601
   50   HG12  VAL   7          HG12      VAL   7   2.057 -12.935 -10.438
   51   HG13  VAL   7          HG13      VAL   7   2.305 -12.419 -12.116
   52   HG21  VAL   7          HG21      VAL   7   4.042 -14.386 -10.710
   53   HG22  VAL   7          HG22      VAL   7   4.036 -15.748 -11.857
   54   HG23  VAL   7          HG23      VAL   7   4.237 -14.099 -12.443
   55    H    ARG   8           H        ARG   8   1.392 -17.777  -9.712
   56    HA   ARG   8           HA       ARG   8   2.763 -19.524 -11.599
   57    HB2  ARG   8           HB2      ARG   8   2.770 -19.289  -8.920
   58    HB3  ARG   8           HB3      ARG   8   1.325 -20.313  -9.038
   59    HG2  ARG   8           HG2      ARG   8   2.902 -21.976 -10.279
   60    HG3  ARG   8           HG3      ARG   8   4.193 -20.932  -9.679
   61    HD2  ARG   8           HD2      ARG   8   2.229 -22.605  -8.136
   62    HD3  ARG   8           HD3      ARG   8   3.997 -22.632  -8.027
   63    HE   ARG   8           HE       ARG   8   2.867 -20.089  -7.168
   64   HH11  ARG   8          HH11      ARG   8   3.172 -23.458  -5.959
   65   HH12  ARG   8          HH12      ARG   8   2.392 -23.043  -4.459
   66   HH21  ARG   8          HH21      ARG   8   2.098 -19.618  -5.228
   67   HH22  ARG   8          HH22      ARG   8   1.833 -20.876  -3.995
   68    H    VAL   9           H        VAL   9   1.680 -21.729 -12.027
   69    HA   VAL   9           HA       VAL   9  -0.979 -21.431 -13.054
   70    HB   VAL   9           HB       VAL   9  -0.890 -23.906 -13.354
   71   HG11  VAL   9          HG11      VAL   9   0.823 -23.863 -15.092
   72   HG12  VAL   9          HG12      VAL   9  -0.063 -22.332 -15.077
   73   HG13  VAL   9          HG13      VAL   9   1.569 -22.419 -14.381
   74   HG21  VAL   9          HG21      VAL   9   0.561 -24.552 -11.455
   75   HG22  VAL   9          HG22      VAL   9   1.194 -25.136 -12.994
   76   HG23  VAL   9          HG23      VAL   9   1.944 -23.732 -12.215
   77    HA   PRO  10           HA       PRO  10  -3.081 -21.578  -9.307
   78    HB2  PRO  10           HB2      PRO  10  -5.622 -22.379  -9.966
   79    HB3  PRO  10           HB3      PRO  10  -4.907 -20.815 -10.468
   80    HG2  PRO  10           HG2      PRO  10  -5.040 -23.379 -12.076
   81    HG3  PRO  10           HG3      PRO  10  -5.514 -21.723 -12.584
   82    HD2  PRO  10           HD2      PRO  10  -3.080 -22.738 -13.212
   83    HD3  PRO  10           HD3      PRO  10  -3.258 -21.024 -12.731
   84    H    GLU  11           H        GLU  11  -2.944 -24.667 -11.061
   85    HA   GLU  11           HA       GLU  11  -4.007 -26.329  -8.988
   86    HB2  GLU  11           HB2      GLU  11  -1.960 -26.909 -11.174
   87    HB3  GLU  11           HB3      GLU  11  -2.703 -28.133 -10.133
   88    HG2  GLU  11           HG2      GLU  11  -4.957 -27.458 -10.962
   89    HG3  GLU  11           HG3      GLU  11  -4.201 -26.292 -12.051
   90    H    GLN  12           H        GLN  12  -0.693 -25.105  -9.635
   91    HA   GLN  12           HA       GLN  12   0.488 -26.554  -7.403
   92    HB2  GLN  12           HB2      GLN  12   1.465 -24.308  -9.189
   93    HB3  GLN  12           HB3      GLN  12   2.396 -24.944  -7.818
   94    HG2  GLN  12           HG2      GLN  12   2.351 -27.209  -8.842
   95    HG3  GLN  12           HG3      GLN  12   1.463 -26.558 -10.221
   96   HE21  GLN  12          HE22      GLN  12   3.099 -26.953 -11.807
   97   HE22  GLN  12          HE21      GLN  12   4.641 -26.137 -11.783
   98    H    TYR  13           H        TYR  13  -0.837 -23.239  -7.898
   99    HA   TYR  13           HA       TYR  13  -0.093 -22.162  -5.383
  100    HB2  TYR  13           HB2      TYR  13  -1.065 -20.861  -7.245
  101    HB3  TYR  13           HB3      TYR  13  -2.604 -21.684  -7.032
  102    HD1  TYR  13           HD2      TYR  13  -0.217 -19.327  -5.458
  103    HD2  TYR  13           HD1      TYR  13  -4.184 -20.993  -5.322
  104    HE1  TYR  13           HE2      TYR  13  -0.926 -17.483  -3.954
  105    HE2  TYR  13           HE1      TYR  13  -4.891 -19.199  -3.772
  106    HH   TYR  13           HH       TYR  13  -4.256 -17.256  -2.639
  107    H    GLN  14           H        GLN  14  -2.925 -24.190  -6.285
  108    HA   GLN  14           HA       GLN  14  -4.097 -24.155  -3.673
  109    HB2  GLN  14           HB2      GLN  14  -4.347 -26.015  -6.061
  110    HB3  GLN  14           HB3      GLN  14  -5.266 -26.266  -4.574
  111    HG2  GLN  14           HG2      GLN  14  -6.413 -24.179  -4.770
  112    HG3  GLN  14           HG3      GLN  14  -5.340 -23.602  -6.041
  113   HE21  GLN  14          HE22      GLN  14  -5.474 -24.517  -8.157
  114   HE22  GLN  14          HE21      GLN  14  -6.936 -25.333  -8.708
  115    H    GLN  15           H        GLN  15  -1.215 -25.838  -4.788
  116    HA   GLN  15           HA       GLN  15  -1.454 -27.901  -2.712
  117    HB2  GLN  15           HB2      GLN  15   1.033 -27.175  -4.299
  118    HB3  GLN  15           HB3      GLN  15   0.745 -28.615  -3.330
  119    HG2  GLN  15           HG2      GLN  15  -0.412 -27.883  -6.009
  120    HG3  GLN  15           HG3      GLN  15   0.514 -29.303  -5.584
  121   HE21  GLN  15          HE22      GLN  15  -2.552 -28.213  -6.316
  122   HE22  GLN  15          HE21      GLN  15  -3.504 -29.490  -5.570
  123    H    GLU  16           H        GLU  16   0.354 -24.836  -3.226
  124    HA   GLU  16           HA       GLU  16   0.251 -24.347  -0.400
  125    HB2  GLU  16           HB2      GLU  16   2.280 -25.910  -0.669
  126    HB3  GLU  16           HB3      GLU  16   3.057 -24.593  -1.557
  127    HG2  GLU  16           HG2      GLU  16   2.799 -23.138   0.461
  128    HG3  GLU  16           HG3      GLU  16   1.990 -24.457   1.298
  129    H    HIS  17           H        HIS  17   0.554 -22.135   0.076
  130    HA   HIS  17           HA       HIS  17   1.910 -20.360  -1.784
  131    HB2  HIS  17           HB2      HIS  17  -0.067 -18.823  -1.966
  132    HB3  HIS  17           HB3      HIS  17  -0.188 -20.324  -2.871
  133    HD1  HIS  17           HD1      HIS  17  -2.095 -22.031  -2.160
  134    HD2  HIS  17           HD2      HIS  17  -1.946 -18.369  -0.104
  135    HE1  HIS  17           HE1      HIS  17  -4.316 -21.812  -0.917
  136    H    VAL  18           H        VAL  18   1.923 -18.079  -0.879
  137    HA   VAL  18           HA       VAL  18   2.733 -18.104   1.874
  138    HB   VAL  18           HB       VAL  18   2.093 -15.787  -0.017
  139   HG11  VAL  18          HG11      VAL  18   3.607 -15.804   2.632
  140   HG12  VAL  18          HG12      VAL  18   3.599 -14.450   1.481
  141   HG13  VAL  18          HG13      VAL  18   2.102 -14.932   2.269
  142   HG21  VAL  18          HG21      VAL  18   3.919 -17.164  -0.902
  143   HG22  VAL  18          HG22      VAL  18   4.541 -15.632  -0.320
  144   HG23  VAL  18          HG23      VAL  18   4.762 -17.100   0.663
  145    H    GLN  19           H        GLN  19   1.667 -17.394   3.686
  146    HA   GLN  19           HA       GLN  19  -1.216 -17.435   3.757
  147    HB2  GLN  19           HB2      GLN  19   0.498 -18.374   5.419
  148    HB3  GLN  19           HB3      GLN  19   0.759 -16.723   5.969
  149    HG2  GLN  19           HG2      GLN  19  -1.666 -16.621   6.628
  150    HG3  GLN  19           HG3      GLN  19  -1.869 -18.278   6.062
  151   HE21  GLN  19          HE22      GLN  19  -0.224 -19.947   7.103
  152   HE22  GLN  19          HE21      GLN  19   0.047 -19.721   8.816
  153    H    GLY  20           H        GLY  20  -0.721 -15.400   2.030
  154    HA2  GLY  20           HA2      GLY  20  -2.106 -13.177   2.970
  155    HA3  GLY  20           HA3      GLY  20  -0.399 -12.808   3.270
  156    H    ALA  21           H        ALA  21  -2.193 -14.440   0.551
  157    HA   ALA  21           HA       ALA  21  -1.068 -12.505  -1.371
  158    HB1  ALA  21           HB1      ALA  21  -0.574 -15.516  -1.480
  159    HB2  ALA  21           HB2      ALA  21  -0.145 -14.349  -2.752
  160    HB3  ALA  21           HB3      ALA  21   0.658 -14.262  -1.173
  161    H    ILE  22           H        ILE  22  -1.819 -13.070  -3.595
  162    HA   ILE  22           HA       ILE  22  -4.541 -14.279  -3.732
  163    HB   ILE  22           HB       ILE  22  -3.550 -12.120  -5.605
  164   HG12  ILE  22          HG12      ILE  22  -3.336 -10.980  -3.446
  165   HG13  ILE  22          HG13      ILE  22  -4.576 -10.294  -4.463
  166   HG21  ILE  22          HG21      ILE  22  -6.344 -13.006  -4.812
  167   HG22  ILE  22          HG22      ILE  22  -5.980 -11.643  -5.893
  168   HG23  ILE  22          HG23      ILE  22  -5.514 -13.274  -6.359
  169   HD11  ILE  22          HD11      ILE  22  -5.253 -10.411  -2.080
  170   HD12  ILE  22          HD12      ILE  22  -6.356 -11.321  -3.123
  171   HD13  ILE  22          HD13      ILE  22  -5.155 -12.180  -2.133
  172    H    ASN  23           H        ASN  23  -4.824 -15.390  -5.867
  173    HA   ASN  23           HA       ASN  23  -2.290 -15.821  -7.397
  174    HB2  ASN  23           HB2      ASN  23  -2.862 -17.956  -6.603
  175    HB3  ASN  23           HB3      ASN  23  -4.583 -17.742  -6.941
  176   HD21  ASN  23          HD22      ASN  23  -1.307 -18.130  -8.565
  177   HD22  ASN  23          HD21      ASN  23  -1.982 -18.711 -10.048
  178    H    ILE  24           H        ILE  24  -2.291 -15.009  -9.297
  179    HA   ILE  24           HA       ILE  24  -4.747 -14.873 -10.889
  180    HB   ILE  24           HB       ILE  24  -2.931 -12.444 -10.845
  181   HG12  ILE  24          HG12      ILE  24  -5.511 -12.642  -9.283
  182   HG13  ILE  24          HG13      ILE  24  -3.895 -12.503  -8.598
  183   HG21  ILE  24          HG21      ILE  24  -5.711 -12.926 -11.894
  184   HG22  ILE  24          HG22      ILE  24  -4.752 -11.442 -12.082
  185   HG23  ILE  24          HG23      ILE  24  -4.219 -12.947 -12.844
  186   HD11  ILE  24          HD11      ILE  24  -5.337 -10.369 -10.198
  187   HD12  ILE  24          HD12      ILE  24  -4.925 -10.359  -8.482
  188   HD13  ILE  24          HD13      ILE  24  -3.634 -10.276  -9.696
  189    HA   PRO  25           HA       PRO  25  -1.063 -16.958 -12.581
  190    HB2  PRO  25           HB2      PRO  25  -2.199 -18.225 -14.758
  191    HB3  PRO  25           HB3      PRO  25  -2.318 -18.817 -13.074
  192    HG2  PRO  25           HG2      PRO  25  -4.352 -17.230 -14.627
  193    HG3  PRO  25           HG3      PRO  25  -4.613 -18.652 -13.574
  194    HD2  PRO  25           HD2      PRO  25  -5.040 -16.095 -12.703
  195    HD3  PRO  25           HD3      PRO  25  -4.411 -17.365 -11.616
  196    H    LEU  26           H        LEU  26   0.362 -16.547 -14.405
  197    HA   LEU  26           HA       LEU  26   0.487 -13.907 -14.997
  198    HB2  LEU  26           HB2      LEU  26   2.323 -15.548 -15.118
  199    HB3  LEU  26           HB3      LEU  26   1.678 -16.192 -16.625
  200    HG   LEU  26           HG       LEU  26   2.224 -14.158 -17.823
  201   HD11  LEU  26          HD11      LEU  26   2.858 -13.024 -15.076
  202   HD12  LEU  26          HD12      LEU  26   3.523 -12.318 -16.570
  203   HD13  LEU  26          HD13      LEU  26   1.784 -12.359 -16.325
  204   HD21  LEU  26          HD21      LEU  26   4.657 -14.191 -17.603
  205   HD22  LEU  26          HD22      LEU  26   4.544 -14.868 -15.966
  206   HD23  LEU  26          HD23      LEU  26   4.039 -15.834 -17.372
  207    H    LYS  27           H        LYS  27  -1.019 -16.291 -17.200
  208    HA   LYS  27           HA       LYS  27  -1.472 -14.505 -19.350
  209    HB2  LYS  27           HB2      LYS  27  -3.073 -16.137 -20.163
  210    HB3  LYS  27           HB3      LYS  27  -1.601 -16.928 -19.602
  211    HG2  LYS  27           HG2      LYS  27  -2.784 -17.494 -17.439
  212    HG3  LYS  27           HG3      LYS  27  -4.270 -16.815 -18.111
  213    HD2  LYS  27           HD2      LYS  27  -2.710 -19.158 -19.281
  214    HD3  LYS  27           HD3      LYS  27  -4.156 -19.283 -18.268
  215    HE2  LYS  27           HE2      LYS  27  -5.457 -18.003 -19.968
  216    HE3  LYS  27           HE3      LYS  27  -4.023 -17.927 -21.000
  217    HZ1  LYS  27           HZ1      LYS  27  -4.068 -20.350 -21.129
  218    HZ2  LYS  27           HZ2      LYS  27  -5.397 -20.420 -20.178
  219    HZ3  LYS  27           HZ3      LYS  27  -5.480 -19.730 -21.650
  220    H    GLU  28           H        GLU  28  -3.229 -14.927 -16.312
  221    HA   GLU  28           HA       GLU  28  -5.514 -13.296 -17.223
  222    HB2  GLU  28           HB2      GLU  28  -4.907 -15.058 -14.888
  223    HB3  GLU  28           HB3      GLU  28  -5.770 -13.584 -14.485
  224    HG2  GLU  28           HG2      GLU  28  -7.528 -14.053 -16.077
  225    HG3  GLU  28           HG3      GLU  28  -6.672 -15.489 -16.670
  226    H    VAL  29           H        VAL  29  -2.656 -13.069 -15.069
  227    HA   VAL  29           HA       VAL  29  -3.482 -10.795 -13.722
  228    HB   VAL  29           HB       VAL  29  -1.436 -12.377 -13.408
  229   HG11  VAL  29          HG11      VAL  29  -0.141 -11.595 -15.389
  230   HG12  VAL  29          HG12      VAL  29   0.073 -10.028 -14.602
  231   HG13  VAL  29          HG13      VAL  29   0.744 -11.494 -13.863
  232   HG21  VAL  29          HG21      VAL  29  -0.514 -10.909 -11.739
  233   HG22  VAL  29          HG22      VAL  29  -1.124  -9.471 -12.572
  234   HG23  VAL  29          HG23      VAL  29  -2.255 -10.596 -11.797
  235    H    LYS  30           H        LYS  30  -1.913 -10.959 -16.825
  236    HA   LYS  30           HA       LYS  30  -1.444  -8.201 -17.158
  237    HB2  LYS  30           HB2      LYS  30  -0.623 -10.366 -18.464
  238    HB3  LYS  30           HB3      LYS  30  -2.064 -10.126 -19.446
  239    HG2  LYS  30           HG2      LYS  30  -1.254  -7.793 -19.990
  240    HG3  LYS  30           HG3      LYS  30   0.163  -8.080 -18.971
  241    HD2  LYS  30           HD2      LYS  30   0.833  -9.952 -20.480
  242    HD3  LYS  30           HD3      LYS  30  -0.635  -9.677 -21.450
  243    HE2  LYS  30           HE2      LYS  30   0.146  -7.361 -21.948
  244    HE3  LYS  30           HE3      LYS  30   1.625  -7.663 -21.029
  245    HZ1  LYS  30           HZ1      LYS  30   0.807  -9.115 -23.482
  246    HZ2  LYS  30           HZ2      LYS  30   1.972  -7.983 -23.396
  247    HZ3  LYS  30           HZ3      LYS  30   2.175  -9.412 -22.638
  248    H    GLU  31           H        GLU  31  -4.492  -9.570 -16.879
  249    HA   GLU  31           HA       GLU  31  -5.639  -7.064 -17.969
  250    HB2  GLU  31           HB2      GLU  31  -6.232  -8.893 -19.479
  251    HB3  GLU  31           HB3      GLU  31  -6.801  -9.878 -18.124
  252    HG2  GLU  31           HG2      GLU  31  -8.575  -8.263 -17.643
  253    HG3  GLU  31           HG3      GLU  31  -7.967  -7.174 -18.894
  254    H    ARG  32           H        ARG  32  -6.061  -9.844 -15.759
  255    HA   ARG  32           HA       ARG  32  -8.117  -8.665 -14.223
  256    HB2  ARG  32           HB2      ARG  32  -7.855 -11.047 -14.446
  257    HB3  ARG  32           HB3      ARG  32  -6.269 -11.010 -13.670
  258    HG2  ARG  32           HG2      ARG  32  -7.178 -10.528 -11.547
  259    HG3  ARG  32           HG3      ARG  32  -8.764 -10.079 -12.204
  260    HD2  ARG  32           HD2      ARG  32  -9.395 -12.316 -12.574
  261    HD3  ARG  32           HD3      ARG  32  -7.727 -12.870 -12.667
  262    HE   ARG  32           HE       ARG  32  -8.844 -11.886 -10.087
  263   HH11  ARG  32          HH12      ARG  32  -7.672 -14.742 -11.917
  264   HH12  ARG  32          HH11      ARG  32  -7.158 -15.563 -10.475
  265   HH21  ARG  32          HH21      ARG  32  -8.191 -13.082  -8.218
  266   HH22  ARG  32          HH22      ARG  32  -7.296 -14.552  -8.416
  267    H    ILE  33           H        ILE  33  -4.616  -8.199 -13.938
  268    HA   ILE  33           HA       ILE  33  -4.686  -7.354 -11.203
  269    HB   ILE  33           HB       ILE  33  -2.591  -7.772 -12.567
  270   HG12  ILE  33          HG12      ILE  33  -1.297  -5.825 -11.475
  271   HG13  ILE  33          HG13      ILE  33  -2.840  -5.285 -10.821
  272   HG21  ILE  33          HG21      ILE  33  -2.909  -4.903 -13.514
  273   HG22  ILE  33          HG22      ILE  33  -1.649  -6.061 -13.935
  274   HG23  ILE  33          HG23      ILE  33  -3.291  -6.297 -14.523
  275   HD11  ILE  33          HD11      ILE  33  -1.546  -8.004 -10.352
  276   HD12  ILE  33          HD12      ILE  33  -1.616  -6.650  -9.208
  277   HD13  ILE  33          HD13      ILE  33  -3.108  -7.485  -9.677
  278    H    ALA  34           H        ALA  34  -5.610  -5.723 -14.256
  279    HA   ALA  34           HA       ALA  34  -5.840  -3.118 -13.173
  280    HB1  ALA  34           HB1      ALA  34  -7.604  -4.413 -15.300
  281    HB2  ALA  34           HB2      ALA  34  -7.355  -2.675 -15.053
  282    HB3  ALA  34           HB3      ALA  34  -6.006  -3.689 -15.613
  283    H    THR  35           H        THR  35  -8.121  -5.853 -13.123
  284    HA   THR  35           HA       THR  35 -10.264  -4.432 -11.876
  285    HB   THR  35           HB       THR  35  -9.764  -7.427 -11.725
  286    HG1  THR  35           HG1      THR  35 -10.638  -7.579 -13.801
  287   HG21  THR  35          HG21      THR  35 -12.306  -5.777 -12.119
  288   HG22  THR  35          HG22      THR  35 -12.217  -7.551 -12.004
  289   HG23  THR  35          HG23      THR  35 -11.797  -6.554 -10.604
  290    H    ALA  36           H        ALA  36  -7.594  -6.463 -10.669
  291    HA   ALA  36           HA       ALA  36  -8.613  -6.516  -7.961
  292    HB1  ALA  36           HB1      ALA  36  -7.393  -8.411  -8.946
  293    HB2  ALA  36           HB2      ALA  36  -5.938  -7.407  -9.127
  294    HB3  ALA  36           HB3      ALA  36  -6.548  -7.807  -7.508
  295    H    VAL  37           H        VAL  37  -6.148  -4.609  -9.632
  296    HA   VAL  37           HA       VAL  37  -5.594  -3.000  -7.215
  297    HB   VAL  37           HB       VAL  37  -3.357  -4.114  -8.949
  298   HG11  VAL  37          HG11      VAL  37  -1.977  -3.484  -7.016
  299   HG12  VAL  37          HG12      VAL  37  -2.872  -2.087  -7.611
  300   HG13  VAL  37          HG13      VAL  37  -3.420  -2.920  -6.142
  301   HG21  VAL  37          HG21      VAL  37  -4.383  -5.376  -6.392
  302   HG22  VAL  37          HG22      VAL  37  -4.265  -6.116  -8.007
  303   HG23  VAL  37          HG23      VAL  37  -2.799  -5.702  -7.136
  304    HA   PRO  38           HA       PRO  38  -6.095  -0.625 -11.235
  305    HB2  PRO  38           HB2      PRO  38  -7.971   1.219 -10.395
  306    HB3  PRO  38           HB3      PRO  38  -8.378  -0.391 -11.051
  307    HG2  PRO  38           HG2      PRO  38  -8.144   0.433  -8.142
  308    HG3  PRO  38           HG3      PRO  38  -9.463  -0.495  -8.928
  309    HD2  PRO  38           HD2      PRO  38  -7.467  -1.740  -7.560
  310    HD3  PRO  38           HD3      PRO  38  -8.126  -2.446  -9.067
  311    H    ASP  39           H        ASP  39  -5.139   0.091  -7.992
  312    HA   ASP  39           HA       ASP  39  -4.750   2.877  -8.096
  313    HB2  ASP  39           HB2      ASP  39  -4.874   1.559  -6.036
  314    HB3  ASP  39           HB3      ASP  39  -3.368   0.733  -6.444
  315    H    LYS  40           H        LYS  40  -2.666   0.302  -9.240
  316    HA   LYS  40           HA       LYS  40  -0.669   0.110 -10.170
  317    HB2  LYS  40           HB2      LYS  40  -1.232   2.900 -11.210
  318    HB3  LYS  40           HB3      LYS  40   0.102   1.882 -11.740
  319    HG2  LYS  40           HG2      LYS  40  -1.640   0.072 -12.257
  320    HG3  LYS  40           HG3      LYS  40  -2.870   1.325 -12.049
  321    HD2  LYS  40           HD2      LYS  40  -1.771   2.655 -13.857
  322    HD3  LYS  40           HD3      LYS  40  -0.551   1.371 -14.033
  323    HE2  LYS  40           HE2      LYS  40  -2.408  -0.259 -14.514
  324    HE3  LYS  40           HE3      LYS  40  -3.554   1.087 -14.480
  325    HZ1  LYS  40           HZ1      LYS  40  -2.896   0.606 -16.731
  326    HZ2  LYS  40           HZ2      LYS  40  -2.295   2.069 -16.343
  327    HZ3  LYS  40           HZ3      LYS  40  -1.306   0.754 -16.393
  328    H    ASN  41           H        ASN  41  -0.729   2.889  -8.042
  329    HA   ASN  41           HA       ASN  41   2.165   2.985  -7.636
  330    HB2  ASN  41           HB2      ASN  41   1.292   4.993  -7.005
  331    HB3  ASN  41           HB3      ASN  41  -0.285   4.337  -6.613
  332   HD21  ASN  41          HD22      ASN  41  -0.662   3.340  -4.566
  333   HD22  ASN  41          HD21      ASN  41   0.296   3.842  -3.168
  334    H    ASP  42           H        ASP  42  -0.384   0.860  -6.600
  335    HA   ASP  42           HA       ASP  42   0.506   0.028  -4.105
  336    HB2  ASP  42           HB2      ASP  42  -1.564  -0.746  -5.450
  337    HB3  ASP  42           HB3      ASP  42  -0.445  -1.939  -6.167
  338    H    THR  43           H        THR  43   1.979  -1.469  -3.333
  339    HA   THR  43           HA       THR  43   4.183  -2.192  -5.059
  340    HB   THR  43           HB       THR  43   3.726  -2.946  -2.155
  341    HG1  THR  43           HG1      THR  43   3.801  -0.814  -2.149
  342   HG21  THR  43          HG21      THR  43   5.340  -4.311  -3.320
  343   HG22  THR  43          HG22      THR  43   6.134  -2.884  -4.002
  344   HG23  THR  43          HG23      THR  43   6.199  -3.194  -2.236
  345    H    VAL  44           H        VAL  44   3.059  -3.439  -6.602
  346    HA   VAL  44           HA       VAL  44   1.815  -5.968  -5.786
  347    HB   VAL  44           HB       VAL  44   2.614  -5.056  -8.597
  348   HG11  VAL  44          HG11      VAL  44   2.241  -7.499  -8.361
  349   HG12  VAL  44          HG12      VAL  44   0.688  -7.181  -7.576
  350   HG13  VAL  44          HG13      VAL  44   0.931  -6.754  -9.285
  351   HG21  VAL  44          HG21      VAL  44  -0.035  -4.777  -7.103
  352   HG22  VAL  44          HG22      VAL  44   0.986  -3.449  -7.692
  353   HG23  VAL  44          HG23      VAL  44   0.176  -4.508  -8.849
  354    H    LYS  45           H        LYS  45   3.249  -7.207  -4.712
  355    HA   LYS  45           HA       LYS  45   5.919  -7.757  -5.821
  356    HB2  LYS  45           HB2      LYS  45   4.430  -9.159  -3.552
  357    HB3  LYS  45           HB3      LYS  45   6.150  -9.286  -3.954
  358    HG2  LYS  45           HG2      LYS  45   6.338  -6.789  -3.545
  359    HG3  LYS  45           HG3      LYS  45   4.647  -6.821  -2.982
  360    HD2  LYS  45           HD2      LYS  45   5.152  -8.134  -1.122
  361    HD3  LYS  45           HD3      LYS  45   6.763  -8.599  -1.722
  362    HE2  LYS  45           HE2      LYS  45   7.601  -6.343  -1.417
  363    HE3  LYS  45           HE3      LYS  45   5.980  -5.733  -1.048
  364    HZ1  LYS  45           HZ1      LYS  45   5.957  -7.005   0.960
  365    HZ2  LYS  45           HZ2      LYS  45   7.439  -7.678   0.643
  366    HZ3  LYS  45           HZ3      LYS  45   7.305  -6.079   0.952
  367    H    VAL  46           H        VAL  46   6.325  -9.584  -7.151
  368    HA   VAL  46           HA       VAL  46   3.992 -11.375  -7.649
  369    HB   VAL  46           HB       VAL  46   4.813 -11.597  -9.973
  370   HG11  VAL  46          HG11      VAL  46   3.810  -9.531 -10.777
  371   HG12  VAL  46          HG12      VAL  46   2.918 -10.107  -9.361
  372   HG13  VAL  46          HG13      VAL  46   4.052  -8.744  -9.204
  373   HG21  VAL  46          HG21      VAL  46   7.158 -10.730  -9.642
  374   HG22  VAL  46          HG22      VAL  46   6.284  -9.952 -10.969
  375   HG23  VAL  46          HG23      VAL  46   6.481  -9.099  -9.438
  376    H    TYR  47           H        TYR  47   4.323 -13.570  -7.755
  377    HA   TYR  47           HA       TYR  47   7.037 -14.629  -7.659
  378    HB2  TYR  47           HB2      TYR  47   7.000 -15.649  -5.607
  379    HB3  TYR  47           HB3      TYR  47   6.414 -14.037  -5.273
  380    HD1  TYR  47           HD2      TYR  47   3.992 -13.643  -4.733
  381    HD2  TYR  47           HD1      TYR  47   5.667 -17.602  -5.131
  382    HE1  TYR  47           HE2      TYR  47   2.134 -14.567  -3.390
  383    HE2  TYR  47           HE1      TYR  47   3.795 -18.530  -3.820
  384    HH   TYR  47           HH       TYR  47   1.160 -16.489  -2.512
  385    H    CYS  48           H        CYS  48   6.794 -17.197  -7.384
  386    HA   CYS  48           HA       CYS  48   4.584 -18.408  -8.693
  387    HB2  CYS  48           HB2      CYS  48   5.733 -17.174 -10.571
  388    HB3  CYS  48           HB3      CYS  48   7.211 -18.077 -10.208
  389    HG   CYS  48           HG       CYS  48   6.426 -19.137 -12.325
  390    H    ASN  49           H        ASN  49   6.144 -20.651  -9.597
  391    HA   ASN  49           HA       ASN  49   6.972 -22.011  -7.180
  392    HB2  ASN  49           HB2      ASN  49   6.070 -23.090  -9.278
  393    HB3  ASN  49           HB3      ASN  49   7.557 -22.666 -10.115
  394   HD21  ASN  49          HD22      ASN  49   6.046 -25.227  -8.764
  395   HD22  ASN  49          HD21      ASN  49   7.426 -26.133  -8.171
  396    H    ALA  50           H        ALA  50   8.637 -20.343  -9.887
  397    HA   ALA  50           HA       ALA  50  11.051 -19.924  -8.266
  398    HB1  ALA  50           HB1      ALA  50  11.488 -22.035  -9.506
  399    HB2  ALA  50           HB2      ALA  50  11.062 -21.231 -11.034
  400    HB3  ALA  50           HB3      ALA  50  12.497 -20.716 -10.122
  401    H    GLY  51           H        GLY  51  12.466 -18.316  -9.396
  402    HA2  GLY  51           HA2      GLY  51  10.997 -15.997  -9.755
  403    HA3  GLY  51           HA3      GLY  51  12.721 -16.177 -10.068
  404    H    ARG  52           H        ARG  52  11.726 -18.243 -12.335
  405    HA   ARG  52           HA       ARG  52  12.195 -16.439 -14.447
  406    HB2  ARG  52           HB2      ARG  52  11.253 -18.256 -15.940
  407    HB3  ARG  52           HB3      ARG  52  12.644 -18.667 -14.955
  408    HG2  ARG  52           HG2      ARG  52  11.444 -20.080 -13.527
  409    HG3  ARG  52           HG3      ARG  52   9.878 -19.389 -13.936
  410    HD2  ARG  52           HD2      ARG  52  11.586 -20.979 -15.890
  411    HD3  ARG  52           HD3      ARG  52  10.309 -21.683 -14.901
  412    HE   ARG  52           HE       ARG  52  10.021 -20.014 -17.277
  413   HH11  ARG  52          HH11      ARG  52   8.285 -21.387 -14.473
  414   HH12  ARG  52          HH12      ARG  52   6.725 -20.898 -15.077
  415   HH21  ARG  52          HH21      ARG  52   7.888 -19.468 -18.043
  416   HH22  ARG  52          HH22      ARG  52   6.510 -19.847 -17.049
  417    H    GLN  53           H        GLN  53   8.992 -17.744 -13.413
  418    HA   GLN  53           HA       GLN  53   7.668 -16.323 -15.551
  419    HB2  GLN  53           HB2      GLN  53   7.010 -18.504 -14.268
  420    HB3  GLN  53           HB3      GLN  53   6.285 -17.403 -13.088
  421    HG2  GLN  53           HG2      GLN  53   4.628 -16.692 -14.564
  422    HG3  GLN  53           HG3      GLN  53   5.557 -17.164 -15.999
  423   HE21  GLN  53          HE22      GLN  53   2.943 -18.177 -13.983
  424   HE22  GLN  53          HE21      GLN  53   2.906 -19.821 -14.577
  425    H    SER  54           H        SER  54   8.200 -15.700 -12.042
  426    HA   SER  54           HA       SER  54   6.473 -13.396 -11.966
  427    HB2  SER  54           HB2      SER  54   7.608 -13.049  -9.769
  428    HB3  SER  54           HB3      SER  54   6.931 -14.673  -9.989
  429    HG   SER  54           HG       SER  54   8.992 -14.949  -9.194
  430    H    GLY  55           H        GLY  55   9.928 -13.933 -12.790
  431    HA2  GLY  55           HA2      GLY  55  10.724 -11.198 -12.802
  432    HA3  GLY  55           HA3      GLY  55  11.457 -12.525 -13.730
  433    H    GLN  56           H        GLN  56   9.455 -13.357 -15.409
  434    HA   GLN  56           HA       GLN  56   9.284 -11.338 -17.387
  435    HB2  GLN  56           HB2      GLN  56   9.132 -13.799 -17.795
  436    HB3  GLN  56           HB3      GLN  56   7.537 -13.816 -17.031
  437    HG2  GLN  56           HG2      GLN  56   7.391 -13.855 -19.476
  438    HG3  GLN  56           HG3      GLN  56   6.605 -12.452 -18.786
  439   HE21  GLN  56          HE22      GLN  56   7.683 -10.308 -19.012
  440   HE22  GLN  56          HE21      GLN  56   8.816 -10.069 -20.327
  441    H    ALA  57           H        ALA  57   6.935 -12.368 -14.856
  442    HA   ALA  57           HA       ALA  57   4.847 -10.627 -15.599
  443    HB1  ALA  57           HB1      ALA  57   4.713 -12.512 -13.943
  444    HB2  ALA  57           HB2      ALA  57   5.527 -11.470 -12.758
  445    HB3  ALA  57           HB3      ALA  57   3.950 -10.998 -13.407
  446    H    LYS  58           H        LYS  58   7.698  -9.999 -13.438
  447    HA   LYS  58           HA       LYS  58   6.802  -7.526 -12.527
  448    HB2  LYS  58           HB2      LYS  58   8.661  -8.475 -11.441
  449    HB3  LYS  58           HB3      LYS  58   9.658  -8.451 -12.909
  450    HG2  LYS  58           HG2      LYS  58   9.887  -6.101 -12.886
  451    HG3  LYS  58           HG3      LYS  58   8.494  -5.862 -11.830
  452    HD2  LYS  58           HD2      LYS  58   9.689  -6.766  -9.927
  453    HD3  LYS  58           HD3      LYS  58  11.129  -7.079 -10.914
  454    HE2  LYS  58           HE2      LYS  58   9.869  -4.339 -10.397
  455    HE3  LYS  58           HE3      LYS  58  11.253  -4.996  -9.522
  456    HZ1  LYS  58           HZ1      LYS  58  12.490  -5.028 -11.613
  457    HZ2  LYS  58           HZ2      LYS  58  11.220  -4.377 -12.420
  458    HZ3  LYS  58           HZ3      LYS  58  11.980  -3.525 -11.261
  459    H    GLU  59           H        GLU  59   8.575  -8.351 -15.562
  460    HA   GLU  59           HA       GLU  59   9.064  -5.676 -16.394
  461    HB2  GLU  59           HB2      GLU  59  10.391  -7.666 -16.999
  462    HB3  GLU  59           HB3      GLU  59   8.968  -8.441 -17.683
  463    HG2  GLU  59           HG2      GLU  59  10.170  -7.734 -19.485
  464    HG3  GLU  59           HG3      GLU  59   8.837  -6.591 -19.355
  465    H    ILE  60           H        ILE  60   6.590  -8.187 -17.153
  466    HA   ILE  60           HA       ILE  60   5.093  -6.744 -19.044
  467    HB   ILE  60           HB       ILE  60   4.560  -9.011 -17.122
  468   HG12  ILE  60          HG12      ILE  60   4.416  -8.869 -20.166
  469   HG13  ILE  60          HG13      ILE  60   5.897  -9.222 -19.286
  470   HG21  ILE  60          HG21      ILE  60   2.407  -7.930 -17.144
  471   HG22  ILE  60          HG22      ILE  60   2.453  -7.787 -18.917
  472   HG23  ILE  60          HG23      ILE  60   2.318  -9.379 -18.120
  473   HD11  ILE  60          HD11      ILE  60   4.940 -11.304 -20.014
  474   HD12  ILE  60          HD12      ILE  60   4.795 -11.217 -18.247
  475   HD13  ILE  60          HD13      ILE  60   3.376 -10.932 -19.284
  476    H    LEU  61           H        LEU  61   4.642  -6.831 -15.446
  477    HA   LEU  61           HA       LEU  61   2.405  -5.031 -15.610
  478    HB2  LEU  61           HB2      LEU  61   4.176  -5.817 -13.278
  479    HB3  LEU  61           HB3      LEU  61   2.725  -4.816 -13.140
  480    HG   LEU  61           HG       LEU  61   2.862  -7.734 -13.993
  481   HD11  LEU  61          HD11      LEU  61   1.472  -6.352 -11.661
  482   HD12  LEU  61          HD12      LEU  61   1.519  -8.102 -11.978
  483   HD13  LEU  61          HD13      LEU  61   3.008  -7.240 -11.559
  484   HD21  LEU  61          HD21      LEU  61   1.148  -6.879 -15.401
  485   HD22  LEU  61          HD22      LEU  61   0.318  -7.588 -14.021
  486   HD23  LEU  61          HD23      LEU  61   0.527  -5.819 -14.114
  487    H    SER  62           H        SER  62   5.907  -4.508 -15.280
  488    HA   SER  62           HA       SER  62   5.732  -1.710 -14.658
  489    HB2  SER  62           HB2      SER  62   7.921  -3.221 -16.145
  490    HB3  SER  62           HB3      SER  62   8.053  -1.617 -15.407
  491    HG   SER  62           HG       SER  62   7.635  -4.125 -14.129
  492    H    GLU  63           H        GLU  63   5.803  -3.530 -17.807
  493    HA   GLU  63           HA       GLU  63   5.662  -1.189 -19.428
  494    HB2  GLU  63           HB2      GLU  63   4.873  -4.080 -19.955
  495    HB3  GLU  63           HB3      GLU  63   4.744  -2.801 -21.164
  496    HG2  GLU  63           HG2      GLU  63   7.175  -2.309 -20.891
  497    HG3  GLU  63           HG3      GLU  63   7.319  -3.681 -19.796
  498    H    MET  64           H        MET  64   3.129  -3.108 -17.794
  499    HA   MET  64           HA       MET  64   0.908  -1.644 -18.943
  500    HB2  MET  64           HB2      MET  64   1.149  -3.321 -16.414
  501    HB3  MET  64           HB3      MET  64  -0.350  -2.588 -16.975
  502    HG2  MET  64           HG2      MET  64  -0.248  -3.842 -19.071
  503    HG3  MET  64           HG3      MET  64   1.299  -4.545 -18.605
  504    HE1  MET  64           HE1      MET  64  -2.796  -5.592 -16.694
  505    HE2  MET  64           HE2      MET  64  -2.037  -4.026 -16.360
  506    HE3  MET  64           HE3      MET  64  -2.550  -4.435 -18.016
  507    H    GLY  65           H        GLY  65   3.363  -0.500 -16.921
  508    HA2  GLY  65           HA2      GLY  65   3.547   1.686 -16.269
  509    HA3  GLY  65           HA3      GLY  65   1.808   1.930 -16.478
  510    H    TYR  66           H        TYR  66   2.714  -0.838 -14.499
  511    HA   TYR  66           HA       TYR  66   1.769   0.476 -12.045
  512    HB2  TYR  66           HB2      TYR  66   2.960  -2.250 -12.658
  513    HB3  TYR  66           HB3      TYR  66   2.698  -1.668 -11.018
  514    HD1  TYR  66           HD1      TYR  66   0.818  -2.190 -14.252
  515    HD2  TYR  66           HD2      TYR  66   0.669  -2.048  -9.942
  516    HE1  TYR  66           HE1      TYR  66  -1.610  -2.682 -14.323
  517    HE2  TYR  66           HE2      TYR  66  -1.750  -2.557 -10.006
  518    HH   TYR  66           HH       TYR  66  -3.619  -2.606 -11.349
  519    H    THR  67           H        THR  67   3.075   1.565 -10.610
  520    HA   THR  67           HA       THR  67   5.805   2.093 -11.590
  521    HB   THR  67           HB       THR  67   5.484   4.129 -10.080
  522    HG1  THR  67           HG1      THR  67   3.412   4.530  -9.388
  523   HG21  THR  67          HG21      THR  67   5.084   4.162 -12.556
  524   HG22  THR  67          HG22      THR  67   3.381   3.747 -12.257
  525   HG23  THR  67          HG23      THR  67   4.044   5.285 -11.666
  526    H    HIS  68           H        HIS  68   4.527   0.062  -9.265
  527    HA   HIS  68           HA       HIS  68   6.964   0.266  -7.608
  528    HB2  HIS  68           HB2      HIS  68   4.452   1.341  -6.923
  529    HB3  HIS  68           HB3      HIS  68   4.460  -0.188  -6.077
  530    HD1  HIS  68           HD1      HIS  68   5.666  -0.068  -3.729
  531    HD2  HIS  68           HD2      HIS  68   6.553   3.057  -6.410
  532    HE1  HIS  68           HE1      HIS  68   7.093   1.587  -2.439
  533    H    VAL  69           H        VAL  69   6.241  -1.628  -9.637
  534    HA   VAL  69           HA       VAL  69   5.329  -4.097  -8.437
  535    HB   VAL  69           HB       VAL  69   7.090  -3.814 -10.911
  536   HG11  VAL  69          HG11      VAL  69   6.804  -6.140 -10.148
  537   HG12  VAL  69          HG12      VAL  69   5.042  -5.917 -10.049
  538   HG13  VAL  69          HG13      VAL  69   5.861  -5.866 -11.618
  539   HG21  VAL  69          HG21      VAL  69   5.152  -2.335 -11.246
  540   HG22  VAL  69          HG22      VAL  69   5.030  -3.761 -12.256
  541   HG23  VAL  69          HG23      VAL  69   4.052  -3.659 -10.771
  542    H    GLU  70           H        GLU  70   6.623  -5.832  -7.619
  543    HA   GLU  70           HA       GLU  70   9.543  -5.455  -7.598
  544    HB2  GLU  70           HB2      GLU  70   8.708  -4.550  -5.416
  545    HB3  GLU  70           HB3      GLU  70   7.919  -6.104  -5.103
  546    HG2  GLU  70           HG2      GLU  70  10.027  -5.933  -3.893
  547    HG3  GLU  70           HG3      GLU  70  10.070  -7.245  -5.067
  548    H    ASN  71           H        ASN  71  10.662  -7.462  -7.452
  549    HA   ASN  71           HA       ASN  71   8.948  -9.802  -8.211
  550    HB2  ASN  71           HB2      ASN  71  10.685  -9.161  -9.887
  551    HB3  ASN  71           HB3      ASN  71  11.939  -9.372  -8.649
  552   HD21  ASN  71          HD22      ASN  71   9.369 -11.029 -10.532
  553   HD22  ASN  71          HD21      ASN  71   9.942 -12.657 -10.176
  554    H    ALA  72           H        ALA  72   8.723 -11.354  -6.690
  555    HA   ALA  72           HA       ALA  72  10.507 -11.244  -4.315
  556    HB1  ALA  72           HB1      ALA  72   8.149 -10.780  -3.884
  557    HB2  ALA  72           HB2      ALA  72   7.686 -12.325  -4.630
  558    HB3  ALA  72           HB3      ALA  72   8.644 -12.306  -3.134
  559    H    GLY  73           H        GLY  73  10.742 -12.798  -7.109
  560    HA2  GLY  73           HA2      GLY  73  11.811 -14.720  -7.718
  561    HA3  GLY  73           HA3      GLY  73  12.088 -15.080  -6.007
  562    H    GLY  74           H        GLY  74  11.006 -16.836  -5.209
  563    HA2  GLY  74           HA2      GLY  74   8.388 -17.579  -6.266
  564    HA3  GLY  74           HA3      GLY  74   9.686 -18.765  -6.500
  565    H    LEU  75           H        LEU  75   7.506 -19.436  -5.033
  566    HA   LEU  75           HA       LEU  75   7.237 -18.663  -2.418
  567    HB2  LEU  75           HB2      LEU  75   5.678 -20.076  -3.754
  568    HB3  LEU  75           HB3      LEU  75   6.781 -21.439  -3.598
  569    HG   LEU  75           HG       LEU  75   6.430 -21.463  -1.140
  570   HD11  LEU  75          HD11      LEU  75   4.519 -20.116  -0.199
  571   HD12  LEU  75          HD12      LEU  75   5.886 -19.110  -0.686
  572   HD13  LEU  75          HD13      LEU  75   4.445 -19.221  -1.721
  573   HD21  LEU  75          HD21      LEU  75   3.881 -21.501  -2.810
  574   HD22  LEU  75          HD22      LEU  75   5.027 -22.842  -2.612
  575   HD23  LEU  75          HD23      LEU  75   4.097 -22.270  -1.224
  576    H    LYS  76           H        LYS  76   9.434 -21.206  -3.600
  577    HA   LYS  76           HA       LYS  76  10.221 -22.239  -1.079
  578    HB2  LYS  76           HB2      LYS  76  10.558 -23.337  -3.278
  579    HB3  LYS  76           HB3      LYS  76  11.746 -22.100  -3.722
  580    HG2  LYS  76           HG2      LYS  76  13.244 -22.844  -1.927
  581    HG3  LYS  76           HG3      LYS  76  12.006 -23.947  -1.314
  582    HD2  LYS  76           HD2      LYS  76  13.662 -25.223  -2.548
  583    HD3  LYS  76           HD3      LYS  76  12.115 -25.275  -3.379
  584    HE2  LYS  76           HE2      LYS  76  13.814 -25.027  -5.039
  585    HE3  LYS  76           HE3      LYS  76  12.921 -23.510  -4.969
  586    HZ1  LYS  76           HZ1      LYS  76  15.562 -24.010  -3.707
  587    HZ2  LYS  76           HZ2      LYS  76  15.315 -23.164  -5.073
  588    HZ3  LYS  76           HZ3      LYS  76  14.762 -22.583  -3.656
  589    H    ASP  77           H        ASP  77  11.424 -19.424  -2.941
  590    HA   ASP  77           HA       ASP  77  13.723 -19.017  -1.170
  591    HB2  ASP  77           HB2      ASP  77  13.829 -18.368  -3.540
  592    HB3  ASP  77           HB3      ASP  77  12.480 -17.251  -3.316
  593    H    ILE  78           H        ILE  78  10.408 -17.755  -1.559
  594    HA   ILE  78           HA       ILE  78  10.649 -15.528   0.174
  595    HB   ILE  78           HB       ILE  78   8.236 -17.198  -0.637
  596   HG12  ILE  78          HG12      ILE  78   9.100 -14.420  -1.558
  597   HG13  ILE  78          HG13      ILE  78   9.583 -15.881  -2.399
  598   HG21  ILE  78          HG21      ILE  78   8.298 -14.498   0.793
  599   HG22  ILE  78          HG22      ILE  78   6.846 -15.251   0.115
  600   HG23  ILE  78          HG23      ILE  78   7.675 -16.025   1.445
  601   HD11  ILE  78          HD11      ILE  78   7.267 -16.459  -2.899
  602   HD12  ILE  78          HD12      ILE  78   6.689 -15.010  -2.051
  603   HD13  ILE  78          HD13      ILE  78   7.699 -14.844  -3.489
  604    H    ALA  79           H        ALA  79   9.588 -18.848   0.822
  605    HA   ALA  79           HA       ALA  79   9.156 -19.998   2.712
  606    HB1  ALA  79           HB1      ALA  79  11.613 -20.113   2.454
  607    HB2  ALA  79           HB2      ALA  79  11.790 -18.731   3.560
  608    HB3  ALA  79           HB3      ALA  79  11.119 -20.268   4.147
  609    H    MET  80           H        MET  80   7.748 -17.547   2.796
  610    HA   MET  80           HA       MET  80   7.629 -16.633   5.597
  611    HB2  MET  80           HB2      MET  80   6.001 -16.136   3.066
  612    HB3  MET  80           HB3      MET  80   5.407 -15.623   4.634
  613    HG2  MET  80           HG2      MET  80   7.401 -14.268   5.029
  614    HG3  MET  80           HG3      MET  80   8.108 -14.819   3.513
  615    HE1  MET  80           HE1      MET  80   5.337 -12.622   5.223
  616    HE2  MET  80           HE2      MET  80   4.478 -11.927   3.830
  617    HE3  MET  80           HE3      MET  80   4.292 -13.649   4.211
  618    HA   PRO  81           HA       PRO  81   4.609 -19.635   7.098
  619    HB2  PRO  81           HB2      PRO  81   2.670 -17.312   7.275
  620    HB3  PRO  81           HB3      PRO  81   2.940 -18.638   8.452
  621    HG2  PRO  81           HG2      PRO  81   4.075 -16.222   8.875
  622    HG3  PRO  81           HG3      PRO  81   5.055 -17.708   9.110
  623    HD2  PRO  81           HD2      PRO  81   5.016 -15.828   6.749
  624    HD3  PRO  81           HD3      PRO  81   6.420 -16.589   7.558
  625    H    LYS  82           H        LYS  82   2.842 -20.875   6.290
  626    HA   LYS  82           HA       LYS  82   2.153 -20.198   3.462
  627    HB2  LYS  82           HB2      LYS  82   2.649 -22.935   4.705
  628    HB3  LYS  82           HB3      LYS  82   2.372 -22.606   3.004
  629    HG2  LYS  82           HG2      LYS  82   4.831 -21.738   4.578
  630    HG3  LYS  82           HG3      LYS  82   4.688 -23.143   3.521
  631    HD2  LYS  82           HD2      LYS  82   4.218 -21.649   1.584
  632    HD3  LYS  82           HD3      LYS  82   4.369 -20.240   2.633
  633    HE2  LYS  82           HE2      LYS  82   6.415 -20.576   1.343
  634    HE3  LYS  82           HE3      LYS  82   6.721 -20.741   3.074
  635    HZ1  LYS  82           HZ1      LYS  82   6.278 -23.092   1.314
  636    HZ2  LYS  82           HZ2      LYS  82   7.776 -22.470   1.607
  637    HZ3  LYS  82           HZ3      LYS  82   6.887 -23.083   2.829
  638    H    VAL  83           H        VAL  83   0.408 -21.561   2.613
  639    HA   VAL  83           HA       VAL  83  -1.610 -22.608   4.489
  640    HB   VAL  83           HB       VAL  83  -2.142 -20.863   2.034
  641   HG11  VAL  83          HG11      VAL  83  -3.792 -22.697   2.130
  642   HG12  VAL  83          HG12      VAL  83  -4.127 -22.331   3.840
  643   HG13  VAL  83          HG13      VAL  83  -4.556 -21.169   2.566
  644   HG21  VAL  83          HG21      VAL  83  -3.323 -19.359   3.599
  645   HG22  VAL  83          HG22      VAL  83  -2.853 -20.402   4.964
  646   HG23  VAL  83          HG23      VAL  83  -1.620 -19.533   4.029
  647    H    LYS  84           H        LYS  84  -2.367 -24.618   3.598
  648    HA   LYS  84           HA       LYS  84  -0.813 -25.629   1.251
  649    HB2  LYS  84           HB2      LYS  84  -1.243 -26.900   3.984
  650    HB3  LYS  84           HB3      LYS  84  -0.582 -27.749   2.590
  651    HG2  LYS  84           HG2      LYS  84   1.400 -26.367   2.556
  652    HG3  LYS  84           HG3      LYS  84   0.755 -25.291   3.812
  653    HD2  LYS  84           HD2      LYS  84   0.678 -27.163   5.411
  654    HD3  LYS  84           HD3      LYS  84   1.317 -28.273   4.199
  655    HE2  LYS  84           HE2      LYS  84   2.799 -25.785   5.174
  656    HE3  LYS  84           HE3      LYS  84   2.943 -27.367   5.942
  657    HZ1  LYS  84           HZ1      LYS  84   3.735 -28.240   3.791
  658    HZ2  LYS  84           HZ2      LYS  84   3.751 -26.716   3.162
  659    HZ3  LYS  84           HZ3      LYS  84   4.717 -27.101   4.414
  660    H    GLY  85           H        GLY  85  -1.791 -27.375   0.158
  661    HA2  GLY  85           HA2      GLY  85  -4.599 -27.469  -0.138
  662    HA3  GLY  85           HA3      GLY  85  -3.456 -28.722  -0.649
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1   0.971  -0.530   1.565
    2    H2   ALA   1           H2       ALA   1   2.187   0.446   1.073
    3    H3   ALA   1           H3       ALA   1   0.735   1.089   1.489
    4    HA   ALA   1           HA       ALA   1  -0.343   0.009  -0.359
    5    HB1  ALA   1           HB1      ALA   1   2.080   1.662  -1.220
    6    HB2  ALA   1           HB2      ALA   1   0.605   1.383  -2.161
    7    HB3  ALA   1           HB3      ALA   1   0.522   2.313  -0.668
    8    H    GLU   2           H        GLU   2  -0.078  -2.324  -0.335
    9    HA   GLU   2           HA       GLU   2   1.928  -3.431  -2.148
   10    HB2  GLU   2           HB2      GLU   2   3.143  -3.195   0.023
   11    HB3  GLU   2           HB3      GLU   2   1.883  -4.138   0.823
   12    HG2  GLU   2           HG2      GLU   2   2.459  -6.089  -0.635
   13    HG3  GLU   2           HG3      GLU   2   3.731  -5.128  -1.393
   14    H    HIS   3           H        HIS   3   1.230  -5.464  -2.876
   15    HA   HIS   3           HA       HIS   3  -0.891  -6.957  -1.500
   16    HB2  HIS   3           HB2      HIS   3  -0.968  -6.382  -4.496
   17    HB3  HIS   3           HB3      HIS   3  -2.070  -7.420  -3.597
   18    HD1  HIS   3           HD1      HIS   3  -3.394  -5.738  -1.474
   19    HD2  HIS   3           HD2      HIS   3  -2.100  -4.208  -5.175
   20    HE1  HIS   3           HE1      HIS   3  -4.760  -3.632  -1.892
   21    H    TRP   4           H        TRP   4  -0.866  -9.253  -2.476
   22    HA   TRP   4           HA       TRP   4   1.724  -9.933  -3.787
   23    HB2  TRP   4           HB2      TRP   4   0.372 -11.278  -1.420
   24    HB3  TRP   4           HB3      TRP   4   1.561 -12.080  -2.433
   25    HD1  TRP   4           HD1      TRP   4   1.397  -8.904  -0.219
   26    HE1  TRP   4           HE1      TRP   4   3.662  -8.503   0.856
   27    HE3  TRP   4           HE3      TRP   4   3.986 -12.784  -2.387
   28    HZ2  TRP   4           HZ2      TRP   4   6.222  -9.902   1.010
   29    HZ3  TRP   4           HZ3      TRP   4   6.311 -13.234  -1.720
   30    HH2  TRP   4           HH2      TRP   4   7.453 -11.796  -0.048
   31    H    ILE   5           H        ILE   5   1.231 -10.741  -5.736
   32    HA   ILE   5           HA       ILE   5  -1.237 -12.397  -5.996
   33    HB   ILE   5           HB       ILE   5  -0.084 -10.498  -8.087
   34   HG12  ILE   5          HG12      ILE   5  -2.291  -9.423  -8.109
   35   HG13  ILE   5          HG13      ILE   5  -2.850 -10.439  -6.788
   36   HG21  ILE   5          HG21      ILE   5  -2.399 -12.493  -8.137
   37   HG22  ILE   5          HG22      ILE   5  -2.095 -11.290  -9.403
   38   HG23  ILE   5          HG23      ILE   5  -0.917 -12.567  -9.120
   39   HD11  ILE   5          HD11      ILE   5  -2.169  -7.973  -6.346
   40   HD12  ILE   5          HD12      ILE   5  -1.659  -9.206  -5.198
   41   HD13  ILE   5          HD13      ILE   5  -0.497  -8.576  -6.392
   42    H    ASP   6           H        ASP   6  -0.589 -14.394  -6.133
   43    HA   ASP   6           HA       ASP   6   1.981 -15.338  -7.099
   44    HB2  ASP   6           HB2      ASP   6   0.491 -16.523  -5.450
   45    HB3  ASP   6           HB3      ASP   6  -0.716 -16.693  -6.701
   46    H    VAL   7           H        VAL   7   2.484 -15.556  -9.273
   47    HA   VAL   7           HA       VAL   7   0.261 -15.380 -11.249
   48    HB   VAL   7           HB       VAL   7   1.853 -14.597 -12.857
   49   HG11  VAL   7          HG11      VAL   7   2.120 -12.981 -10.290
   50   HG12  VAL   7          HG12      VAL   7   2.284 -12.390 -11.953
   51   HG13  VAL   7          HG13      VAL   7   0.713 -12.971 -11.370
   52   HG21  VAL   7          HG21      VAL   7   4.152 -14.132 -12.426
   53   HG22  VAL   7          HG22      VAL   7   4.005 -14.529 -10.712
   54   HG23  VAL   7          HG23      VAL   7   3.891 -15.804 -11.949
   55    H    ARG   8           H        ARG   8   1.901 -17.703  -9.719
   56    HA   ARG   8           HA       ARG   8   2.708 -19.575 -11.723
   57    HB2  ARG   8           HB2      ARG   8   3.055 -19.468  -9.171
   58    HB3  ARG   8           HB3      ARG   8   1.365 -20.021  -9.057
   59    HG2  ARG   8           HG2      ARG   8   2.044 -22.177  -9.963
   60    HG3  ARG   8           HG3      ARG   8   3.691 -21.547 -10.245
   61    HD2  ARG   8           HD2      ARG   8   3.166 -22.970  -8.076
   62    HD3  ARG   8           HD3      ARG   8   4.260 -21.600  -8.008
   63    HE   ARG   8           HE       ARG   8   2.061 -20.302  -7.345
   64   HH11  ARG   8          HH21      ARG   8   3.122 -23.477  -6.041
   65   HH12  ARG   8          HH22      ARG   8   2.163 -23.256  -4.599
   66   HH21  ARG   8          HH11      ARG   8   0.953 -20.091  -5.504
   67   HH22  ARG   8          HH12      ARG   8   1.077 -21.304  -4.211
   68    H    VAL   9           H        VAL   9   1.469 -21.604 -12.228
   69    HA   VAL   9           HA       VAL   9  -1.210 -21.145 -12.999
   70    HB   VAL   9           HB       VAL   9  -1.301 -23.640 -13.329
   71   HG11  VAL   9          HG11      VAL   9  -0.496 -22.103 -15.093
   72   HG12  VAL   9          HG12      VAL   9   1.168 -22.276 -14.495
   73   HG13  VAL   9          HG13      VAL   9   0.310 -23.677 -15.164
   74   HG21  VAL   9          HG21      VAL   9   0.709 -24.993 -13.077
   75   HG22  VAL   9          HG22      VAL   9   1.605 -23.634 -12.379
   76   HG23  VAL   9          HG23      VAL   9   0.235 -24.349 -11.503
   77    HA   PRO  10           HA       PRO  10  -3.236 -21.319  -9.204
   78    HB2  PRO  10           HB2      PRO  10  -5.811 -21.988  -9.816
   79    HB3  PRO  10           HB3      PRO  10  -5.034 -20.467 -10.377
   80    HG2  PRO  10           HG2      PRO  10  -5.312 -23.068 -11.910
   81    HG3  PRO  10           HG3      PRO  10  -5.754 -21.411 -12.446
   82    HD2  PRO  10           HD2      PRO  10  -3.367 -22.507 -13.113
   83    HD3  PRO  10           HD3      PRO  10  -3.491 -20.779 -12.666
   84    H    GLU  11           H        GLU  11  -3.150 -24.351 -10.979
   85    HA   GLU  11           HA       GLU  11  -4.288 -26.086  -9.036
   86    HB2  GLU  11           HB2      GLU  11  -2.051 -26.564 -11.051
   87    HB3  GLU  11           HB3      GLU  11  -2.867 -27.830 -10.121
   88    HG2  GLU  11           HG2      GLU  11  -5.048 -27.148 -11.128
   89    HG3  GLU  11           HG3      GLU  11  -4.207 -25.950 -12.114
   90    H    GLN  12           H        GLN  12  -1.017 -24.619  -9.258
   91    HA   GLN  12           HA       GLN  12   0.013 -26.300  -7.102
   92    HB2  GLN  12           HB2      GLN  12   1.161 -23.947  -8.622
   93    HB3  GLN  12           HB3      GLN  12   2.019 -24.860  -7.358
   94    HG2  GLN  12           HG2      GLN  12   1.799 -26.941  -8.667
   95    HG3  GLN  12           HG3      GLN  12   0.925 -26.076  -9.927
   96   HE21  GLN  12          HE22      GLN  12   2.491 -26.575 -11.568
   97   HE22  GLN  12          HE21      GLN  12   4.077 -25.849 -11.566
   98    H    TYR  13           H        TYR  13  -1.413 -23.046  -7.402
   99    HA   TYR  13           HA       TYR  13  -0.812 -22.067  -4.792
  100    HB2  TYR  13           HB2      TYR  13  -1.751 -20.691  -6.579
  101    HB3  TYR  13           HB3      TYR  13  -3.215 -21.651  -6.600
  102    HD1  TYR  13           HD1      TYR  13  -1.321 -19.078  -4.724
  103    HD2  TYR  13           HD2      TYR  13  -4.986 -21.345  -4.967
  104    HE1  TYR  13           HE1      TYR  13  -2.423 -17.438  -3.243
  105    HE2  TYR  13           HE2      TYR  13  -6.088 -19.726  -3.454
  106    HH   TYR  13           HH       TYR  13  -4.404 -16.795  -2.218
  107    H    GLN  14           H        GLN  14  -3.345 -24.293  -5.941
  108    HA   GLN  14           HA       GLN  14  -4.647 -24.505  -3.385
  109    HB2  GLN  14           HB2      GLN  14  -4.652 -26.244  -5.881
  110    HB3  GLN  14           HB3      GLN  14  -5.684 -26.556  -4.483
  111    HG2  GLN  14           HG2      GLN  14  -6.886 -24.515  -4.744
  112    HG3  GLN  14           HG3      GLN  14  -5.706 -23.841  -5.859
  113   HE21  GLN  14          HE22      GLN  14  -5.749 -24.375  -8.044
  114   HE22  GLN  14          HE21      GLN  14  -7.060 -25.297  -8.771
  115    H    GLN  15           H        GLN  15  -1.542 -25.661  -4.311
  116    HA   GLN  15           HA       GLN  15  -1.681 -27.909  -2.371
  117    HB2  GLN  15           HB2      GLN  15   0.702 -27.190  -4.093
  118    HB3  GLN  15           HB3      GLN  15   0.381 -28.682  -3.217
  119    HG2  GLN  15           HG2      GLN  15  -0.854 -27.674  -5.772
  120    HG3  GLN  15           HG3      GLN  15   0.055 -29.148  -5.533
  121   HE21  GLN  15          HE22      GLN  15  -2.937 -28.084  -6.245
  122   HE22  GLN  15          HE21      GLN  15  -3.920 -29.346  -5.513
  123    H    GLU  16           H        GLU  16   0.108 -24.876  -3.084
  124    HA   GLU  16           HA       GLU  16   0.377 -24.333  -0.238
  125    HB2  GLU  16           HB2      GLU  16   2.360 -25.805  -0.745
  126    HB3  GLU  16           HB3      GLU  16   2.892 -24.617  -1.942
  127    HG2  GLU  16           HG2      GLU  16   3.036 -22.909  -0.090
  128    HG3  GLU  16           HG3      GLU  16   2.582 -24.143   1.058
  129    H    HIS  17           H        HIS  17   0.489 -22.067   0.066
  130    HA   HIS  17           HA       HIS  17   1.548 -20.348  -2.046
  131    HB2  HIS  17           HB2      HIS  17  -0.479 -18.893  -2.034
  132    HB3  HIS  17           HB3      HIS  17  -0.701 -20.463  -2.791
  133    HD1  HIS  17           HD1      HIS  17  -2.471 -22.106  -1.665
  134    HD2  HIS  17           HD2      HIS  17  -2.050 -18.287   0.031
  135    HE1  HIS  17           HE1      HIS  17  -4.489 -21.770  -0.143
  136    H    VAL  18           H        VAL  18   1.868 -18.125  -1.248
  137    HA   VAL  18           HA       VAL  18   2.710 -17.981   1.515
  138    HB   VAL  18           HB       VAL  18   2.208 -15.731  -0.493
  139   HG11  VAL  18          HG11      VAL  18   3.810 -14.447   0.921
  140   HG12  VAL  18          HG12      VAL  18   2.350 -14.873   1.812
  141   HG13  VAL  18          HG13      VAL  18   3.848 -15.790   2.086
  142   HG21  VAL  18          HG21      VAL  18   4.678 -15.776  -0.837
  143   HG22  VAL  18          HG22      VAL  18   4.770 -17.264   0.136
  144   HG23  VAL  18          HG23      VAL  18   3.885 -17.235  -1.407
  145    H    GLN  19           H        GLN  19   1.564 -17.276   3.263
  146    HA   GLN  19           HA       GLN  19  -1.206 -17.490   3.351
  147    HB2  GLN  19           HB2      GLN  19   0.357 -17.666   5.260
  148    HB3  GLN  19           HB3      GLN  19   0.668 -15.929   5.185
  149    HG2  GLN  19           HG2      GLN  19  -1.690 -15.467   5.766
  150    HG3  GLN  19           HG3      GLN  19  -2.053 -17.196   5.741
  151   HE21  GLN  19          HE22      GLN  19  -0.150 -14.666   7.460
  152   HE22  GLN  19          HE21      GLN  19   0.007 -15.561   8.948
  153    H    GLY  20           H        GLY  20  -2.807 -16.262   2.589
  154    HA2  GLY  20           HA2      GLY  20  -4.145 -14.418   2.423
  155    HA3  GLY  20           HA3      GLY  20  -2.828 -13.392   2.997
  156    H    ALA  21           H        ALA  21  -1.446 -15.044   0.421
  157    HA   ALA  21           HA       ALA  21  -1.658 -12.736  -1.340
  158    HB1  ALA  21           HB1      ALA  21  -0.513 -15.525  -1.790
  159    HB2  ALA  21           HB2      ALA  21  -0.297 -14.121  -2.858
  160    HB3  ALA  21           HB3      ALA  21   0.395 -14.102  -1.219
  161    H    ILE  22           H        ILE  22  -2.626 -12.692  -3.420
  162    HA   ILE  22           HA       ILE  22  -4.945 -14.496  -3.836
  163    HB   ILE  22           HB       ILE  22  -4.236 -12.640  -6.045
  164   HG12  ILE  22          HG12      ILE  22  -4.958 -11.381  -3.380
  165   HG13  ILE  22          HG13      ILE  22  -3.544 -11.077  -4.407
  166   HG21  ILE  22          HG21      ILE  22  -6.621 -12.312  -6.127
  167   HG22  ILE  22          HG22      ILE  22  -6.340 -14.016  -5.828
  168   HG23  ILE  22          HG23      ILE  22  -6.828 -12.965  -4.484
  169   HD11  ILE  22          HD11      ILE  22  -5.095 -10.167  -6.175
  170   HD12  ILE  22          HD12      ILE  22  -6.409 -10.268  -4.978
  171   HD13  ILE  22          HD13      ILE  22  -5.011  -9.228  -4.671
  172    H    ASN  23           H        ASN  23  -5.056 -15.439  -6.158
  173    HA   ASN  23           HA       ASN  23  -2.427 -15.751  -7.440
  174    HB2  ASN  23           HB2      ASN  23  -2.700 -17.923  -6.490
  175    HB3  ASN  23           HB3      ASN  23  -4.381 -18.047  -7.026
  176   HD21  ASN  23          HD22      ASN  23  -1.080 -18.816  -7.871
  177   HD22  ASN  23          HD21      ASN  23  -1.356 -19.057  -9.588
  178    H    ILE  24           H        ILE  24  -2.514 -15.129  -9.430
  179    HA   ILE  24           HA       ILE  24  -4.984 -15.334 -10.972
  180    HB   ILE  24           HB       ILE  24  -3.474 -12.692 -10.932
  181   HG12  ILE  24          HG12      ILE  24  -6.175 -13.200  -9.641
  182   HG13  ILE  24          HG13      ILE  24  -4.662 -12.886  -8.781
  183   HG21  ILE  24          HG21      ILE  24  -5.330 -11.961 -12.356
  184   HG22  ILE  24          HG22      ILE  24  -4.464 -13.334 -13.039
  185   HG23  ILE  24          HG23      ILE  24  -6.035 -13.598 -12.254
  186   HD11  ILE  24          HD11      ILE  24  -4.507 -10.648  -9.853
  187   HD12  ILE  24          HD12      ILE  24  -6.132 -10.911 -10.530
  188   HD13  ILE  24          HD13      ILE  24  -5.898 -10.868  -8.778
  189    HA   PRO  25           HA       PRO  25  -1.198 -17.040 -12.673
  190    HB2  PRO  25           HB2      PRO  25  -2.140 -18.311 -14.921
  191    HB3  PRO  25           HB3      PRO  25  -2.389 -18.918 -13.252
  192    HG2  PRO  25           HG2      PRO  25  -4.314 -17.298 -14.933
  193    HG3  PRO  25           HG3      PRO  25  -4.643 -18.790 -13.997
  194    HD2  PRO  25           HD2      PRO  25  -5.190 -16.311 -12.998
  195    HD3  PRO  25           HD3      PRO  25  -4.590 -17.625 -11.941
  196    H    LEU  26           H        LEU  26   0.293 -16.503 -14.358
  197    HA   LEU  26           HA       LEU  26   0.376 -13.870 -14.929
  198    HB2  LEU  26           HB2      LEU  26   2.265 -15.451 -15.013
  199    HB3  LEU  26           HB3      LEU  26   1.682 -16.093 -16.547
  200    HG   LEU  26           HG       LEU  26   2.194 -14.027 -17.704
  201   HD11  LEU  26          HD11      LEU  26   1.675 -12.272 -16.164
  202   HD12  LEU  26          HD12      LEU  26   2.788 -12.912 -14.937
  203   HD13  LEU  26          HD13      LEU  26   3.409 -12.163 -16.430
  204   HD21  LEU  26          HD21      LEU  26   4.043 -15.657 -17.281
  205   HD22  LEU  26          HD22      LEU  26   4.629 -13.996 -17.430
  206   HD23  LEU  26          HD23      LEU  26   4.500 -14.742 -15.828
  207    H    LYS  27           H        LYS  27  -0.952 -16.288 -17.204
  208    HA   LYS  27           HA       LYS  27  -1.327 -14.555 -19.397
  209    HB2  LYS  27           HB2      LYS  27  -2.887 -16.219 -20.247
  210    HB3  LYS  27           HB3      LYS  27  -1.438 -16.980 -19.595
  211    HG2  LYS  27           HG2      LYS  27  -2.708 -17.549 -17.501
  212    HG3  LYS  27           HG3      LYS  27  -4.163 -16.829 -18.217
  213    HD2  LYS  27           HD2      LYS  27  -4.057 -18.455 -20.083
  214    HD3  LYS  27           HD3      LYS  27  -2.607 -19.187 -19.360
  215    HE2  LYS  27           HE2      LYS  27  -3.905 -19.738 -17.314
  216    HE3  LYS  27           HE3      LYS  27  -5.346 -18.995 -18.021
  217    HZ1  LYS  27           HZ1      LYS  27  -3.949 -21.372 -19.112
  218    HZ2  LYS  27           HZ2      LYS  27  -5.360 -21.391 -18.300
  219    HZ3  LYS  27           HZ3      LYS  27  -5.282 -20.684 -19.764
  220    H    GLU  28           H        GLU  28  -3.283 -14.899 -16.456
  221    HA   GLU  28           HA       GLU  28  -5.473 -13.265 -17.587
  222    HB2  GLU  28           HB2      GLU  28  -5.140 -15.100 -15.282
  223    HB3  GLU  28           HB3      GLU  28  -5.862 -13.563 -14.821
  224    HG2  GLU  28           HG2      GLU  28  -7.578 -13.776 -16.553
  225    HG3  GLU  28           HG3      GLU  28  -6.882 -15.324 -17.067
  226    H    VAL  29           H        VAL  29  -2.883 -13.102 -15.123
  227    HA   VAL  29           HA       VAL  29  -3.776 -10.796 -13.887
  228    HB   VAL  29           HB       VAL  29  -1.851 -12.501 -13.377
  229   HG11  VAL  29          HG11      VAL  29  -0.119 -10.163 -14.236
  230   HG12  VAL  29          HG12      VAL  29   0.395 -11.684 -13.485
  231   HG13  VAL  29          HG13      VAL  29  -0.275 -11.690 -15.120
  232   HG21  VAL  29          HG21      VAL  29  -2.841 -10.798 -11.798
  233   HG22  VAL  29          HG22      VAL  29  -1.120 -11.126 -11.529
  234   HG23  VAL  29          HG23      VAL  29  -1.620  -9.643 -12.363
  235    H    LYS  30           H        LYS  30  -1.800 -11.024 -16.768
  236    HA   LYS  30           HA       LYS  30  -1.071  -8.311 -16.984
  237    HB2  LYS  30           HB2      LYS  30  -0.246 -10.418 -18.266
  238    HB3  LYS  30           HB3      LYS  30  -1.646 -10.204 -19.322
  239    HG2  LYS  30           HG2      LYS  30  -0.787  -7.942 -19.956
  240    HG3  LYS  30           HG3      LYS  30   0.575  -8.167 -18.840
  241    HD2  LYS  30           HD2      LYS  30   1.371 -10.082 -20.180
  242    HD3  LYS  30           HD3      LYS  30  -0.048  -9.949 -21.242
  243    HE2  LYS  30           HE2      LYS  30   0.660  -7.651 -21.890
  244    HE3  LYS  30           HE3      LYS  30   2.092  -7.803 -20.868
  245    HZ1  LYS  30           HZ1      LYS  30   2.817  -9.647 -22.290
  246    HZ2  LYS  30           HZ2      LYS  30   1.489  -9.491 -23.230
  247    HZ3  LYS  30           HZ3      LYS  30   2.593  -8.298 -23.177
  248    H    GLU  31           H        GLU  31  -4.249  -9.562 -17.317
  249    HA   GLU  31           HA       GLU  31  -5.093  -6.867 -18.323
  250    HB2  GLU  31           HB2      GLU  31  -6.469  -9.562 -18.656
  251    HB3  GLU  31           HB3      GLU  31  -7.219  -7.995 -18.999
  252    HG2  GLU  31           HG2      GLU  31  -5.416  -7.519 -20.667
  253    HG3  GLU  31           HG3      GLU  31  -4.747  -9.127 -20.384
  254    H    ARG  32           H        ARG  32  -5.791  -9.598 -16.137
  255    HA   ARG  32           HA       ARG  32  -7.962  -8.340 -14.845
  256    HB2  ARG  32           HB2      ARG  32  -7.605 -10.762 -14.979
  257    HB3  ARG  32           HB3      ARG  32  -6.204 -10.638 -13.904
  258    HG2  ARG  32           HG2      ARG  32  -7.562  -9.992 -12.049
  259    HG3  ARG  32           HG3      ARG  32  -8.984  -9.698 -13.070
  260    HD2  ARG  32           HD2      ARG  32  -9.344 -12.014 -13.456
  261    HD3  ARG  32           HD3      ARG  32  -7.706 -12.435 -12.958
  262    HE   ARG  32           HE       ARG  32  -9.306 -11.221 -10.848
  263   HH11  ARG  32          HH11      ARG  32  -8.570 -14.329 -12.456
  264   HH12  ARG  32          HH12      ARG  32  -8.840 -15.264 -11.023
  265   HH21  ARG  32          HH21      ARG  32  -9.692 -12.496  -8.974
  266   HH22  ARG  32          HH22      ARG  32  -9.518 -14.206  -9.025
  267    H    ILE  33           H        ILE  33  -4.493  -8.007 -14.185
  268    HA   ILE  33           HA       ILE  33  -4.736  -7.091 -11.514
  269    HB   ILE  33           HB       ILE  33  -2.574  -7.605 -12.725
  270   HG12  ILE  33          HG12      ILE  33  -1.272  -5.689 -11.587
  271   HG13  ILE  33          HG13      ILE  33  -2.824  -5.082 -11.035
  272   HG21  ILE  33          HG21      ILE  33  -3.031  -6.196 -14.759
  273   HG22  ILE  33          HG22      ILE  33  -2.760  -4.757 -13.762
  274   HG23  ILE  33          HG23      ILE  33  -1.460  -5.919 -14.010
  275   HD11  ILE  33          HD11      ILE  33  -1.670  -7.855 -10.479
  276   HD12  ILE  33          HD12      ILE  33  -1.753  -6.498  -9.344
  277   HD13  ILE  33          HD13      ILE  33  -3.247  -7.275  -9.898
  278    H    ALA  34           H        ALA  34  -5.353  -5.450 -14.624
  279    HA   ALA  34           HA       ALA  34  -5.581  -2.845 -13.578
  280    HB1  ALA  34           HB1      ALA  34  -5.479  -3.436 -16.013
  281    HB2  ALA  34           HB2      ALA  34  -7.148  -4.051 -15.900
  282    HB3  ALA  34           HB3      ALA  34  -6.816  -2.330 -15.636
  283    H    THR  35           H        THR  35  -7.709  -5.492 -12.969
  284    HA   THR  35           HA       THR  35  -9.834  -3.629 -12.002
  285    HB   THR  35           HB       THR  35 -10.024  -6.606 -12.603
  286    HG1  THR  35           HG1      THR  35  -9.635  -5.393 -14.487
  287   HG21  THR  35          HG21      THR  35 -11.782  -5.842 -11.063
  288   HG22  THR  35          HG22      THR  35 -12.178  -4.488 -12.144
  289   HG23  THR  35          HG23      THR  35 -12.473  -6.167 -12.657
  290    H    ALA  36           H        ALA  36  -7.535  -6.179 -11.114
  291    HA   ALA  36           HA       ALA  36  -8.610  -6.539  -8.430
  292    HB1  ALA  36           HB1      ALA  36  -7.386  -8.335  -9.631
  293    HB2  ALA  36           HB2      ALA  36  -5.910  -7.342  -9.602
  294    HB3  ALA  36           HB3      ALA  36  -6.615  -7.928  -8.085
  295    H    VAL  37           H        VAL  37  -6.098  -4.569  -9.926
  296    HA   VAL  37           HA       VAL  37  -5.613  -3.013  -7.466
  297    HB   VAL  37           HB       VAL  37  -3.375  -4.154  -9.188
  298   HG11  VAL  37          HG11      VAL  37  -2.846  -2.047  -8.080
  299   HG12  VAL  37          HG12      VAL  37  -3.347  -2.708  -6.517
  300   HG13  VAL  37          HG13      VAL  37  -1.923  -3.362  -7.373
  301   HG21  VAL  37          HG21      VAL  37  -4.248  -6.075  -8.059
  302   HG22  VAL  37          HG22      VAL  37  -2.746  -5.594  -7.288
  303   HG23  VAL  37          HG23      VAL  37  -4.298  -5.208  -6.501
  304    HA   PRO  38           HA       PRO  38  -6.265  -0.731 -11.491
  305    HB2  PRO  38           HB2      PRO  38  -7.919   1.263 -10.519
  306    HB3  PRO  38           HB3      PRO  38  -8.489  -0.317 -11.132
  307    HG2  PRO  38           HG2      PRO  38  -8.022   0.512  -8.260
  308    HG3  PRO  38           HG3      PRO  38  -9.412  -0.383  -8.948
  309    HD2  PRO  38           HD2      PRO  38  -7.358  -1.654  -7.675
  310    HD3  PRO  38           HD3      PRO  38  -8.166  -2.386  -9.093
  311    H    ASP  39           H        ASP  39  -5.575   0.434  -8.178
  312    HA   ASP  39           HA       ASP  39  -4.307   2.899  -8.982
  313    HB2  ASP  39           HB2      ASP  39  -5.344   2.503  -6.754
  314    HB3  ASP  39           HB3      ASP  39  -4.056   1.358  -6.369
  315    H    LYS  40           H        LYS  40  -2.371   3.059  -9.944
  316    HA   LYS  40           HA       LYS  40  -0.794   0.733 -10.445
  317    HB2  LYS  40           HB2      LYS  40  -0.304   3.692 -10.994
  318    HB3  LYS  40           HB3      LYS  40   0.709   2.412 -11.639
  319    HG2  LYS  40           HG2      LYS  40  -2.292   2.582 -12.148
  320    HG3  LYS  40           HG3      LYS  40  -1.085   3.299 -13.208
  321    HD2  LYS  40           HD2      LYS  40  -0.191   1.207 -13.851
  322    HD3  LYS  40           HD3      LYS  40  -0.995   0.328 -12.552
  323    HE2  LYS  40           HE2      LYS  40  -2.546   1.802 -14.711
  324    HE3  LYS  40           HE3      LYS  40  -1.977   0.146 -14.935
  325    HZ1  LYS  40           HZ1      LYS  40  -3.307  -0.576 -13.103
  326    HZ2  LYS  40           HZ2      LYS  40  -3.768   0.951 -12.699
  327    HZ3  LYS  40           HZ3      LYS  40  -4.266   0.282 -14.105
  328    H    ASN  41           H        ASN  41  -0.690   2.814  -7.702
  329    HA   ASN  41           HA       ASN  41   2.231   2.481  -7.408
  330    HB2  ASN  41           HB2      ASN  41   2.305   4.465  -6.458
  331    HB3  ASN  41           HB3      ASN  41   0.664   4.725  -7.027
  332   HD21  ASN  41          HD22      ASN  41  -1.091   3.798  -5.384
  333   HD22  ASN  41          HD21      ASN  41  -0.770   4.170  -3.695
  334    H    ASP  42           H        ASP  42  -0.531   0.809  -6.395
  335    HA   ASP  42           HA       ASP  42   0.507  -0.007  -3.775
  336    HB2  ASP  42           HB2      ASP  42  -1.688  -0.970  -5.593
  337    HB3  ASP  42           HB3      ASP  42  -0.961  -2.110  -4.457
  338    H    THR  43           H        THR  43   2.251  -1.249  -3.496
  339    HA   THR  43           HA       THR  43   3.865  -2.150  -5.621
  340    HB   THR  43           HB       THR  43   3.873  -3.051  -2.709
  341    HG1  THR  43           HG1      THR  43   4.093  -0.958  -2.592
  342   HG21  THR  43          HG21      THR  43   5.249  -4.489  -4.050
  343   HG22  THR  43          HG22      THR  43   6.052  -3.103  -4.830
  344   HG23  THR  43          HG23      THR  43   6.286  -3.432  -3.093
  345    H    VAL  44           H        VAL  44   3.029  -3.609  -7.088
  346    HA   VAL  44           HA       VAL  44   1.557  -5.943  -6.133
  347    HB   VAL  44           HB       VAL  44   2.743  -5.609  -8.918
  348   HG11  VAL  44          HG11      VAL  44   0.248  -7.024  -7.862
  349   HG12  VAL  44          HG12      VAL  44   0.864  -7.085  -9.518
  350   HG13  VAL  44          HG13      VAL  44   1.785  -7.838  -8.209
  351   HG21  VAL  44          HG21      VAL  44   1.459  -3.569  -8.563
  352   HG22  VAL  44          HG22      VAL  44   0.535  -4.661  -9.595
  353   HG23  VAL  44          HG23      VAL  44   0.106  -4.494  -7.877
  354    H    LYS  45           H        LYS  45   2.863  -7.112  -4.690
  355    HA   LYS  45           HA       LYS  45   5.581  -7.916  -5.437
  356    HB2  LYS  45           HB2      LYS  45   3.632  -9.114  -3.432
  357    HB3  LYS  45           HB3      LYS  45   5.267  -9.661  -3.671
  358    HG2  LYS  45           HG2      LYS  45   5.050  -6.743  -3.086
  359    HG3  LYS  45           HG3      LYS  45   4.390  -7.793  -1.837
  360    HD2  LYS  45           HD2      LYS  45   6.601  -9.097  -1.917
  361    HD3  LYS  45           HD3      LYS  45   7.237  -7.781  -2.916
  362    HE2  LYS  45           HE2      LYS  45   6.648  -6.160  -1.106
  363    HE3  LYS  45           HE3      LYS  45   5.994  -7.490  -0.139
  364    HZ1  LYS  45           HZ1      LYS  45   8.216  -6.948   0.561
  365    HZ2  LYS  45           HZ2      LYS  45   8.255  -8.442  -0.104
  366    HZ3  LYS  45           HZ3      LYS  45   8.820  -7.144  -0.945
  367    H    VAL  46           H        VAL  46   6.017  -9.659  -6.775
  368    HA   VAL  46           HA       VAL  46   3.744 -11.458  -7.491
  369    HB   VAL  46           HB       VAL  46   4.718 -11.624  -9.767
  370   HG11  VAL  46          HG11      VAL  46   3.803  -8.813  -9.039
  371   HG12  VAL  46          HG12      VAL  46   3.669  -9.610 -10.619
  372   HG13  VAL  46          HG13      VAL  46   2.729 -10.217  -9.246
  373   HG21  VAL  46          HG21      VAL  46   6.155  -9.852 -10.650
  374   HG22  VAL  46          HG22      VAL  46   6.294  -9.104  -9.050
  375   HG23  VAL  46          HG23      VAL  46   6.993 -10.711  -9.355
  376    H    TYR  47           H        TYR  47   4.158 -13.601  -7.515
  377    HA   TYR  47           HA       TYR  47   6.903 -14.552  -7.389
  378    HB2  TYR  47           HB2      TYR  47   6.767 -15.775  -5.431
  379    HB3  TYR  47           HB3      TYR  47   6.126 -14.205  -4.981
  380    HD1  TYR  47           HD2      TYR  47   3.716 -13.881  -4.533
  381    HD2  TYR  47           HD1      TYR  47   5.388 -17.773  -5.345
  382    HE1  TYR  47           HE2      TYR  47   1.767 -14.943  -3.450
  383    HE2  TYR  47           HE1      TYR  47   3.403 -18.843  -4.323
  384    HH   TYR  47           HH       TYR  47   0.704 -16.955  -2.937
  385    H    CYS  48           H        CYS  48   6.813 -17.058  -7.571
  386    HA   CYS  48           HA       CYS  48   4.495 -18.186  -8.814
  387    HB2  CYS  48           HB2      CYS  48   5.515 -18.719 -10.966
  388    HB3  CYS  48           HB3      CYS  48   5.482 -16.971 -10.742
  389    HG   CYS  48           HG       CYS  48   7.941 -16.714  -9.894
  390    H    ASN  49           H        ASN  49   6.168 -20.444  -9.932
  391    HA   ASN  49           HA       ASN  49   6.504 -21.777  -7.373
  392    HB2  ASN  49           HB2      ASN  49   5.712 -22.951  -9.440
  393    HB3  ASN  49           HB3      ASN  49   7.312 -22.733 -10.148
  394   HD21  ASN  49          HD22      ASN  49   8.137 -24.840 -10.158
  395   HD22  ASN  49          HD21      ASN  49   8.236 -25.855  -8.743
  396    H    ALA  50           H        ALA  50   8.832 -20.650  -9.883
  397    HA   ALA  50           HA       ALA  50  11.049 -21.181  -7.944
  398    HB1  ALA  50           HB1      ALA  50  10.794 -22.989  -9.602
  399    HB2  ALA  50           HB2      ALA  50  10.979 -21.808 -10.921
  400    HB3  ALA  50           HB3      ALA  50  12.325 -22.121  -9.806
  401    H    GLY  51           H        GLY  51   9.687 -18.745  -9.954
  402    HA2  GLY  51           HA2      GLY  51  10.520 -16.562  -9.318
  403    HA3  GLY  51           HA3      GLY  51  12.167 -17.118  -9.591
  404    H    ARG  52           H        ARG  52  11.343 -18.523 -12.200
  405    HA   ARG  52           HA       ARG  52  12.060 -16.292 -13.804
  406    HB2  ARG  52           HB2      ARG  52  11.927 -17.753 -15.722
  407    HB3  ARG  52           HB3      ARG  52  12.742 -18.539 -14.376
  408    HG2  ARG  52           HG2      ARG  52  10.630 -19.827 -13.894
  409    HG3  ARG  52           HG3      ARG  52   9.892 -19.082 -15.327
  410    HD2  ARG  52           HD2      ARG  52  11.705 -20.054 -16.743
  411    HD3  ARG  52           HD3      ARG  52  12.400 -20.807 -15.308
  412    HE   ARG  52           HE       ARG  52  10.740 -22.394 -15.261
  413   HH11  ARG  52          HH11      ARG  52   9.919 -19.999 -17.757
  414   HH12  ARG  52          HH12      ARG  52   8.655 -20.946 -18.447
  415   HH21  ARG  52          HH21      ARG  52   9.062 -23.654 -16.187
  416   HH22  ARG  52          HH22      ARG  52   8.165 -23.072 -17.536
  417    H    GLN  53           H        GLN  53   8.861 -17.861 -13.432
  418    HA   GLN  53           HA       GLN  53   7.612 -16.275 -15.474
  419    HB2  GLN  53           HB2      GLN  53   6.833 -18.492 -14.670
  420    HB3  GLN  53           HB3      GLN  53   6.394 -17.761 -13.119
  421    HG2  GLN  53           HG2      GLN  53   4.685 -16.393 -14.256
  422    HG3  GLN  53           HG3      GLN  53   5.180 -17.105 -15.806
  423   HE21  GLN  53          HE22      GLN  53   3.054 -18.043 -16.189
  424   HE22  GLN  53          HE21      GLN  53   2.470 -19.374 -15.225
  425    H    SER  54           H        SER  54   8.014 -15.829 -11.899
  426    HA   SER  54           HA       SER  54   6.356 -13.459 -11.863
  427    HB2  SER  54           HB2      SER  54   7.357 -13.194  -9.577
  428    HB3  SER  54           HB3      SER  54   6.524 -14.723  -9.889
  429    HG   SER  54           HG       SER  54   8.612 -15.008  -8.829
  430    H    GLY  55           H        GLY  55   9.823 -14.123 -12.433
  431    HA2  GLY  55           HA2      GLY  55  10.778 -11.457 -12.277
  432    HA3  GLY  55           HA3      GLY  55  11.455 -12.769 -13.271
  433    H    GLN  56           H        GLN  56   9.535 -13.361 -15.082
  434    HA   GLN  56           HA       GLN  56   9.480 -11.153 -16.910
  435    HB2  GLN  56           HB2      GLN  56   7.923 -13.768 -16.758
  436    HB3  GLN  56           HB3      GLN  56   7.728 -12.616 -18.085
  437    HG2  GLN  56           HG2      GLN  56  10.382 -13.921 -17.316
  438    HG3  GLN  56           HG3      GLN  56   9.316 -14.479 -18.598
  439   HE21  GLN  56          HE22      GLN  56  11.646 -11.951 -17.677
  440   HE22  GLN  56          HE21      GLN  56  11.714 -11.184 -19.239
  441    H    ALA  57           H        ALA  57   6.935 -12.414 -14.660
  442    HA   ALA  57           HA       ALA  57   4.961 -10.573 -15.364
  443    HB1  ALA  57           HB1      ALA  57   3.940 -11.010 -13.242
  444    HB2  ALA  57           HB2      ALA  57   4.699 -12.514 -13.807
  445    HB3  ALA  57           HB3      ALA  57   5.470 -11.540 -12.530
  446    H    LYS  58           H        LYS  58   7.699 -10.086 -13.036
  447    HA   LYS  58           HA       LYS  58   6.848  -7.620 -12.076
  448    HB2  LYS  58           HB2      LYS  58   8.637  -8.467 -10.915
  449    HB3  LYS  58           HB3      LYS  58   9.620  -8.751 -12.364
  450    HG2  LYS  58           HG2      LYS  58  10.071  -6.453 -12.680
  451    HG3  LYS  58           HG3      LYS  58   8.800  -5.930 -11.576
  452    HD2  LYS  58           HD2      LYS  58  10.001  -6.594  -9.670
  453    HD3  LYS  58           HD3      LYS  58  11.262  -7.426 -10.621
  454    HE2  LYS  58           HE2      LYS  58  10.652  -4.440 -10.828
  455    HE3  LYS  58           HE3      LYS  58  11.873  -5.102  -9.738
  456    HZ1  LYS  58           HZ1      LYS  58  13.064  -5.962 -11.645
  457    HZ2  LYS  58           HZ2      LYS  58  11.941  -5.414 -12.706
  458    HZ3  LYS  58           HZ3      LYS  58  12.833  -4.363 -11.828
  459    H    GLU  59           H        GLU  59   8.800  -8.389 -14.994
  460    HA   GLU  59           HA       GLU  59   9.263  -5.604 -15.639
  461    HB2  GLU  59           HB2      GLU  59   9.634  -8.162 -17.256
  462    HB3  GLU  59           HB3      GLU  59  10.161  -6.561 -17.783
  463    HG2  GLU  59           HG2      GLU  59  11.149  -8.025 -15.294
  464    HG3  GLU  59           HG3      GLU  59  12.014  -7.876 -16.815
  465    H    ILE  60           H        ILE  60   6.983  -8.099 -16.748
  466    HA   ILE  60           HA       ILE  60   5.660  -6.640 -18.764
  467    HB   ILE  60           HB       ILE  60   4.924  -8.870 -16.857
  468   HG12  ILE  60          HG12      ILE  60   5.123  -8.814 -19.902
  469   HG13  ILE  60          HG13      ILE  60   6.489  -9.172 -18.856
  470   HG21  ILE  60          HG21      ILE  60   2.800  -9.234 -18.071
  471   HG22  ILE  60          HG22      ILE  60   2.809  -7.749 -17.144
  472   HG23  ILE  60          HG23      ILE  60   3.039  -7.674 -18.905
  473   HD11  ILE  60          HD11      ILE  60   3.954 -10.836 -19.108
  474   HD12  ILE  60          HD12      ILE  60   5.593 -11.255 -19.624
  475   HD13  ILE  60          HD13      ILE  60   5.227 -11.118 -17.895
  476    H    LEU  61           H        LEU  61   4.890  -6.784 -15.211
  477    HA   LEU  61           HA       LEU  61   2.749  -4.901 -15.497
  478    HB2  LEU  61           HB2      LEU  61   4.358  -5.754 -13.069
  479    HB3  LEU  61           HB3      LEU  61   2.934  -4.710 -13.005
  480    HG   LEU  61           HG       LEU  61   3.014  -7.627 -13.876
  481   HD11  LEU  61          HD11      LEU  61   1.581  -7.957 -11.918
  482   HD12  LEU  61          HD12      LEU  61   3.092  -7.168 -11.438
  483   HD13  LEU  61          HD13      LEU  61   1.602  -6.208 -11.585
  484   HD21  LEU  61          HD21      LEU  61   1.396  -6.692 -15.335
  485   HD22  LEU  61          HD22      LEU  61   0.494  -7.406 -14.006
  486   HD23  LEU  61          HD23      LEU  61   0.745  -5.639 -14.054
  487    H    SER  62           H        SER  62   6.218  -4.495 -14.796
  488    HA   SER  62           HA       SER  62   6.082  -1.727 -14.089
  489    HB2  SER  62           HB2      SER  62   8.364  -3.267 -15.400
  490    HB3  SER  62           HB3      SER  62   8.482  -1.714 -14.555
  491    HG   SER  62           HG       SER  62   7.788  -4.259 -13.485
  492    H    GLU  63           H        GLU  63   6.585  -3.381 -17.286
  493    HA   GLU  63           HA       GLU  63   6.737  -0.962 -18.787
  494    HB2  GLU  63           HB2      GLU  63   6.092  -3.847 -19.505
  495    HB3  GLU  63           HB3      GLU  63   6.134  -2.571 -20.716
  496    HG2  GLU  63           HG2      GLU  63   8.494  -3.250 -18.907
  497    HG3  GLU  63           HG3      GLU  63   8.254  -3.905 -20.521
  498    H    MET  64           H        MET  64   3.984  -2.966 -17.727
  499    HA   MET  64           HA       MET  64   1.970  -1.550 -19.228
  500    HB2  MET  64           HB2      MET  64   1.877  -3.200 -16.682
  501    HB3  MET  64           HB3      MET  64   0.444  -2.444 -17.371
  502    HG2  MET  64           HG2      MET  64   0.566  -3.709 -19.369
  503    HG3  MET  64           HG3      MET  64   2.202  -4.262 -19.030
  504    HE1  MET  64           HE1      MET  64  -1.464  -5.762 -16.594
  505    HE2  MET  64           HE2      MET  64  -0.695  -4.202 -16.257
  506    HE3  MET  64           HE3      MET  64  -1.563  -4.456 -17.794
  507    H    GLY  65           H        GLY  65   3.913  -0.515 -16.549
  508    HA2  GLY  65           HA2      GLY  65   4.031   1.776 -16.094
  509    HA3  GLY  65           HA3      GLY  65   2.313   1.981 -16.455
  510    H    TYR  66           H        TYR  66   3.011  -0.768 -14.384
  511    HA   TYR  66           HA       TYR  66   1.809   0.559 -12.071
  512    HB2  TYR  66           HB2      TYR  66   3.089  -2.157 -12.513
  513    HB3  TYR  66           HB3      TYR  66   2.708  -1.554 -10.905
  514    HD1  TYR  66           HD1      TYR  66   1.094  -2.186 -14.255
  515    HD2  TYR  66           HD2      TYR  66   0.562  -1.760  -9.990
  516    HE1  TYR  66           HE1      TYR  66  -1.338  -2.609 -14.513
  517    HE2  TYR  66           HE2      TYR  66  -1.843  -2.270 -10.239
  518    HH   TYR  66           HH       TYR  66  -3.590  -2.502 -11.708
  519    H    THR  67           H        THR  67   2.847   1.914 -10.750
  520    HA   THR  67           HA       THR  67   5.606   2.557 -11.362
  521    HB   THR  67           HB       THR  67   5.100   4.429  -9.728
  522    HG1  THR  67           HG1      THR  67   2.951   4.627  -9.079
  523   HG21  THR  67          HG21      THR  67   4.669   4.626 -12.200
  524   HG22  THR  67          HG22      THR  67   3.011   4.043 -11.931
  525   HG23  THR  67          HG23      THR  67   3.543   5.586 -11.226
  526    H    HIS  68           H        HIS  68   4.009   0.523  -9.071
  527    HA   HIS  68           HA       HIS  68   6.616   0.058  -7.734
  528    HB2  HIS  68           HB2      HIS  68   3.905   0.290  -6.374
  529    HB3  HIS  68           HB3      HIS  68   5.336  -0.433  -5.646
  530    HD1  HIS  68           HD1      HIS  68   6.759   1.161  -4.221
  531    HD2  HIS  68           HD2      HIS  68   4.365   3.088  -7.093
  532    HE1  HIS  68           HE1      HIS  68   7.069   3.661  -3.852
  533    H    VAL  69           H        VAL  69   7.176  -1.934  -8.252
  534    HA   VAL  69           HA       VAL  69   5.290  -4.176  -8.097
  535    HB   VAL  69           HB       VAL  69   7.148  -3.662 -10.479
  536   HG11  VAL  69          HG11      VAL  69   5.296  -6.011  -9.877
  537   HG12  VAL  69          HG12      VAL  69   6.126  -5.720 -11.418
  538   HG13  VAL  69          HG13      VAL  69   7.078  -6.048  -9.965
  539   HG21  VAL  69          HG21      VAL  69   5.113  -3.657 -11.878
  540   HG22  VAL  69          HG22      VAL  69   4.102  -3.737 -10.413
  541   HG23  VAL  69          HG23      VAL  69   5.123  -2.316 -10.746
  542    H    GLU  70           H        GLU  70   6.518  -6.058  -7.348
  543    HA   GLU  70           HA       GLU  70   9.428  -5.680  -7.055
  544    HB2  GLU  70           HB2      GLU  70   8.271  -4.694  -5.021
  545    HB3  GLU  70           HB3      GLU  70   7.680  -6.318  -4.640
  546    HG2  GLU  70           HG2      GLU  70  10.001  -7.139  -4.519
  547    HG3  GLU  70           HG3      GLU  70  10.608  -5.566  -5.056
  548    H    ASN  71           H        ASN  71  10.455  -7.576  -7.483
  549    HA   ASN  71           HA       ASN  71   8.782  -9.965  -7.963
  550    HB2  ASN  71           HB2      ASN  71  10.552  -9.413  -9.621
  551    HB3  ASN  71           HB3      ASN  71  11.787  -9.553  -8.354
  552   HD21  ASN  71          HD22      ASN  71   9.124 -11.310 -10.006
  553   HD22  ASN  71          HD21      ASN  71   9.745 -12.922  -9.652
  554    H    ALA  72           H        ALA  72   8.280 -11.127  -6.160
  555    HA   ALA  72           HA       ALA  72   9.928 -10.878  -3.779
  556    HB1  ALA  72           HB1      ALA  72   8.284 -12.421  -2.785
  557    HB2  ALA  72           HB2      ALA  72   7.486 -11.058  -3.598
  558    HB3  ALA  72           HB3      ALA  72   7.535 -12.655  -4.377
  559    H    GLY  73           H        GLY  73   9.419 -13.365  -6.317
  560    HA2  GLY  73           HA2      GLY  73  11.697 -14.523  -6.712
  561    HA3  GLY  73           HA3      GLY  73  11.483 -15.094  -5.050
  562    H    GLY  74           H        GLY  74  11.218 -17.238  -5.468
  563    HA2  GLY  74           HA2      GLY  74   8.673 -18.030  -6.781
  564    HA3  GLY  74           HA3      GLY  74  10.136 -19.019  -6.902
  565    H    LEU  75           H        LEU  75   7.560 -19.666  -5.636
  566    HA   LEU  75           HA       LEU  75   7.485 -19.219  -2.917
  567    HB2  LEU  75           HB2      LEU  75   5.640 -20.049  -4.427
  568    HB3  LEU  75           HB3      LEU  75   6.391 -21.646  -4.404
  569    HG   LEU  75           HG       LEU  75   6.050 -21.774  -1.942
  570   HD11  LEU  75          HD11      LEU  75   4.464 -20.041  -0.919
  571   HD12  LEU  75          HD12      LEU  75   6.101 -19.450  -1.241
  572   HD13  LEU  75          HD13      LEU  75   4.779 -19.040  -2.343
  573   HD21  LEU  75          HD21      LEU  75   3.559 -21.057  -3.521
  574   HD22  LEU  75          HD22      LEU  75   4.351 -22.653  -3.458
  575   HD23  LEU  75          HD23      LEU  75   3.600 -21.979  -2.010
  576    H    LYS  76           H        LYS  76   9.255 -21.758  -4.640
  577    HA   LYS  76           HA       LYS  76   9.766 -23.378  -2.340
  578    HB2  LYS  76           HB2      LYS  76  11.410 -24.497  -3.718
  579    HB3  LYS  76           HB3      LYS  76   9.981 -24.150  -4.692
  580    HG2  LYS  76           HG2      LYS  76  11.232 -22.062  -5.546
  581    HG3  LYS  76           HG3      LYS  76  12.671 -22.705  -4.763
  582    HD2  LYS  76           HD2      LYS  76  11.030 -24.044  -6.955
  583    HD3  LYS  76           HD3      LYS  76  12.585 -23.254  -7.178
  584    HE2  LYS  76           HE2      LYS  76  12.111 -25.746  -5.473
  585    HE3  LYS  76           HE3      LYS  76  12.704 -25.749  -7.131
  586    HZ1  LYS  76           HZ1      LYS  76  14.653 -24.513  -6.388
  587    HZ2  LYS  76           HZ2      LYS  76  14.129 -24.529  -4.836
  588    HZ3  LYS  76           HZ3      LYS  76  14.521 -25.920  -5.583
  589    H    ASP  77           H        ASP  77  11.190 -20.345  -3.368
  590    HA   ASP  77           HA       ASP  77  13.515 -20.683  -1.539
  591    HB2  ASP  77           HB2      ASP  77  13.970 -19.788  -3.771
  592    HB3  ASP  77           HB3      ASP  77  12.772 -18.512  -3.535
  593    H    ILE  78           H        ILE  78  10.461 -18.913  -1.959
  594    HA   ILE  78           HA       ILE  78  10.845 -17.018   0.169
  595    HB   ILE  78           HB       ILE  78   8.367 -18.112  -1.218
  596   HG12  ILE  78          HG12      ILE  78   9.690 -15.367  -1.460
  597   HG13  ILE  78          HG13      ILE  78  10.066 -16.700  -2.539
  598   HG21  ILE  78          HG21      ILE  78   7.126 -16.180  -0.232
  599   HG22  ILE  78          HG22      ILE  78   7.657 -17.318   0.988
  600   HG23  ILE  78          HG23      ILE  78   8.543 -15.786   0.754
  601   HD11  ILE  78          HD11      ILE  78   7.674 -16.812  -3.244
  602   HD12  ILE  78          HD12      ILE  78   7.357 -15.351  -2.280
  603   HD13  ILE  78          HD13      ILE  78   8.486 -15.285  -3.638
  604    H    ALA  79           H        ALA  79  10.678 -17.299   2.330
  605    HA   ALA  79           HA       ALA  79   9.559 -19.844   3.382
  606    HB1  ALA  79           HB1      ALA  79  11.370 -19.845   5.047
  607    HB2  ALA  79           HB2      ALA  79  12.053 -19.808   3.412
  608    HB3  ALA  79           HB3      ALA  79  12.006 -18.321   4.390
  609    H    MET  80           H        MET  80   8.278 -17.315   2.983
  610    HA   MET  80           HA       MET  80   7.637 -16.195   5.626
  611    HB2  MET  80           HB2      MET  80   6.463 -15.904   2.821
  612    HB3  MET  80           HB3      MET  80   5.688 -15.207   4.241
  613    HG2  MET  80           HG2      MET  80   7.717 -13.928   4.782
  614    HG3  MET  80           HG3      MET  80   8.554 -14.642   3.404
  615    HE1  MET  80           HE1      MET  80   5.677 -12.237   4.584
  616    HE2  MET  80           HE2      MET  80   5.078 -11.573   3.048
  617    HE3  MET  80           HE3      MET  80   4.747 -13.263   3.465
  618    HA   PRO  81           HA       PRO  81   4.550 -19.112   6.933
  619    HB2  PRO  81           HB2      PRO  81   2.543 -16.850   6.707
  620    HB3  PRO  81           HB3      PRO  81   2.720 -18.066   8.013
  621    HG2  PRO  81           HG2      PRO  81   3.749 -15.585   8.333
  622    HG3  PRO  81           HG3      PRO  81   4.723 -17.015   8.810
  623    HD2  PRO  81           HD2      PRO  81   4.924 -15.343   6.309
  624    HD3  PRO  81           HD3      PRO  81   6.233 -16.017   7.326
  625    H    LYS  82           H        LYS  82   3.324 -20.633   5.914
  626    HA   LYS  82           HA       LYS  82   2.290 -20.000   3.185
  627    HB2  LYS  82           HB2      LYS  82   3.122 -22.715   4.291
  628    HB3  LYS  82           HB3      LYS  82   2.627 -22.357   2.646
  629    HG2  LYS  82           HG2      LYS  82   5.203 -21.452   3.984
  630    HG3  LYS  82           HG3      LYS  82   4.992 -22.748   2.796
  631    HD2  LYS  82           HD2      LYS  82   4.311 -21.126   1.082
  632    HD3  LYS  82           HD3      LYS  82   4.382 -19.810   2.253
  633    HE2  LYS  82           HE2      LYS  82   6.332 -19.705   0.854
  634    HE3  LYS  82           HE3      LYS  82   6.812 -20.080   2.507
  635    HZ1  LYS  82           HZ1      LYS  82   7.895 -21.344   0.624
  636    HZ2  LYS  82           HZ2      LYS  82   7.343 -22.255   1.872
  637    HZ3  LYS  82           HZ3      LYS  82   6.489 -22.220   0.483
  638    H    VAL  83           H        VAL  83   0.447 -21.221   2.535
  639    HA   VAL  83           HA       VAL  83  -1.210 -22.505   4.623
  640    HB   VAL  83           HB       VAL  83  -2.125 -20.543   2.476
  641   HG11  VAL  83          HG11      VAL  83  -4.436 -20.956   3.307
  642   HG12  VAL  83          HG12      VAL  83  -3.740 -22.409   2.592
  643   HG13  VAL  83          HG13      VAL  83  -3.825 -22.249   4.363
  644   HG21  VAL  83          HG21      VAL  83  -2.427 -20.444   5.512
  645   HG22  VAL  83          HG22      VAL  83  -1.325 -19.445   4.551
  646   HG23  VAL  83          HG23      VAL  83  -3.072 -19.254   4.360
  647    H    LYS  84           H        LYS  84  -2.226 -24.396   3.701
  648    HA   LYS  84           HA       LYS  84  -1.122 -25.285   1.091
  649    HB2  LYS  84           HB2      LYS  84  -0.731 -26.603   3.814
  650    HB3  LYS  84           HB3      LYS  84  -0.455 -27.431   2.280
  651    HG2  LYS  84           HG2      LYS  84   1.252 -25.788   1.645
  652    HG3  LYS  84           HG3      LYS  84   1.082 -24.939   3.183
  653    HD2  LYS  84           HD2      LYS  84   1.957 -27.840   2.837
  654    HD3  LYS  84           HD3      LYS  84   3.029 -26.459   3.115
  655    HE2  LYS  84           HE2      LYS  84   1.903 -26.020   5.294
  656    HE3  LYS  84           HE3      LYS  84   0.861 -27.425   5.036
  657    HZ1  LYS  84           HZ1      LYS  84   3.811 -27.523   5.298
  658    HZ2  LYS  84           HZ2      LYS  84   2.740 -27.971   6.438
  659    HZ3  LYS  84           HZ3      LYS  84   2.846 -28.821   5.054
  660    H    GLY  85           H        GLY  85  -2.051 -27.461   0.485
  661    HA2  GLY  85           HA2      GLY  85  -4.510 -28.333   1.721
  662    HA3  GLY  85           HA3      GLY  85  -4.771 -27.469   0.190
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1   0.423  -0.115   1.610
    2    H2   ALA   1           H2       ALA   1  -1.094   0.462   1.374
    3    H3   ALA   1           H3       ALA   1  -0.837  -1.150   1.498
    4    HA   ALA   1           HA       ALA   1  -1.207  -0.556  -0.805
    5    HB1  ALA   1           HB1      ALA   1   0.389   0.911  -1.953
    6    HB2  ALA   1           HB2      ALA   1  -0.450   1.774  -0.658
    7    HB3  ALA   1           HB3      ALA   1   1.229   1.235  -0.425
    8    H    GLU   2           H        GLU   2  -0.740  -2.941  -0.220
    9    HA   GLU   2           HA       GLU   2   1.512  -3.768  -1.804
   10    HB2  GLU   2           HB2      GLU   2   2.549  -3.631   0.486
   11    HB3  GLU   2           HB3      GLU   2   1.261  -4.656   1.121
   12    HG2  GLU   2           HG2      GLU   2   2.062  -6.496  -0.438
   13    HG3  GLU   2           HG3      GLU   2   3.414  -5.451  -0.881
   14    H    HIS   3           H        HIS   3   1.048  -5.824  -2.672
   15    HA   HIS   3           HA       HIS   3  -1.085  -7.517  -1.579
   16    HB2  HIS   3           HB2      HIS   3  -1.005  -6.604  -4.497
   17    HB3  HIS   3           HB3      HIS   3  -1.954  -7.956  -3.899
   18    HD1  HIS   3           HD1      HIS   3  -3.753  -6.990  -1.711
   19    HD2  HIS   3           HD2      HIS   3  -2.478  -4.565  -4.902
   20    HE1  HIS   3           HE1      HIS   3  -5.466  -5.121  -1.909
   21    H    TRP   4           H        TRP   4  -0.853  -9.724  -2.588
   22    HA   TRP   4           HA       TRP   4   1.828 -10.182  -3.797
   23    HB2  TRP   4           HB2      TRP   4   0.394 -11.782  -1.637
   24    HB3  TRP   4           HB3      TRP   4   1.744 -12.402  -2.575
   25    HD1  TRP   4           HD1      TRP   4   1.088  -9.395  -0.214
   26    HE1  TRP   4           HE1      TRP   4   3.165  -8.912   1.153
   27    HE3  TRP   4           HE3      TRP   4   4.169 -12.974  -2.222
   28    HZ2  TRP   4           HZ2      TRP   4   5.816 -10.103   1.503
   29    HZ3  TRP   4           HZ3      TRP   4   6.448 -13.296  -1.317
   30    HH2  TRP   4           HH2      TRP   4   7.285 -11.869   0.538
   31    H    ILE   5           H        ILE   5   1.612 -11.226  -5.703
   32    HA   ILE   5           HA       ILE   5  -1.029 -12.449  -6.368
   33    HB   ILE   5           HB       ILE   5   0.677 -10.706  -8.176
   34   HG12  ILE   5          HG12      ILE   5  -0.496  -9.329  -6.492
   35   HG13  ILE   5          HG13      ILE   5  -1.063  -9.047  -8.128
   36   HG21  ILE   5          HG21      ILE   5  -0.451 -12.462  -9.440
   37   HG22  ILE   5          HG22      ILE   5  -1.996 -12.105  -8.656
   38   HG23  ILE   5          HG23      ILE   5  -1.251 -10.917  -9.752
   39   HD11  ILE   5          HD11      ILE   5  -3.120 -10.332  -7.665
   40   HD12  ILE   5          HD12      ILE   5  -2.517 -10.694  -6.028
   41   HD13  ILE   5          HD13      ILE   5  -2.890  -9.028  -6.491
   42    H    ASP   6           H        ASP   6  -0.639 -14.489  -6.402
   43    HA   ASP   6           HA       ASP   6   1.878 -15.735  -7.155
   44    HB2  ASP   6           HB2      ASP   6   0.374 -16.675  -5.438
   45    HB3  ASP   6           HB3      ASP   6  -0.908 -16.825  -6.622
   46    H    VAL   7           H        VAL   7   2.337 -15.268  -9.318
   47    HA   VAL   7           HA       VAL   7   0.276 -15.122 -11.352
   48    HB   VAL   7           HB       VAL   7   1.991 -14.465 -12.852
   49   HG11  VAL   7          HG11      VAL   7   1.150 -12.805 -11.172
   50   HG12  VAL   7          HG12      VAL   7   2.588 -13.126 -10.187
   51   HG13  VAL   7          HG13      VAL   7   2.755 -12.440 -11.810
   52   HG21  VAL   7          HG21      VAL   7   3.825 -16.028 -12.134
   53   HG22  VAL   7          HG22      VAL   7   4.347 -14.364 -12.377
   54   HG23  VAL   7          HG23      VAL   7   4.122 -14.975 -10.738
   55    H    ARG   8           H        ARG   8   1.232 -17.701  -9.893
   56    HA   ARG   8           HA       ARG   8   2.437 -19.496 -11.790
   57    HB2  ARG   8           HB2      ARG   8   2.431 -19.349  -9.173
   58    HB3  ARG   8           HB3      ARG   8   0.803 -20.058  -9.319
   59    HG2  ARG   8           HG2      ARG   8   2.073 -22.035 -10.519
   60    HG3  ARG   8           HG3      ARG   8   3.478 -21.328  -9.723
   61    HD2  ARG   8           HD2      ARG   8   0.948 -22.407  -8.461
   62    HD3  ARG   8           HD3      ARG   8   2.611 -22.991  -8.240
   63    HE   ARG   8           HE       ARG   8   1.910 -20.220  -7.394
   64   HH11  ARG   8          HH11      ARG   8   2.228 -23.590  -6.149
   65   HH12  ARG   8          HH12      ARG   8   2.111 -23.010  -4.522
   66   HH21  ARG   8          HH21      ARG   8   1.878 -19.630  -5.362
   67   HH22  ARG   8          HH22      ARG   8   1.805 -20.841  -4.051
   68    H    VAL   9           H        VAL   9   1.373 -21.581 -12.414
   69    HA   VAL   9           HA       VAL   9  -1.267 -21.381 -13.431
   70    HB   VAL   9           HB       VAL   9  -1.119 -23.854 -13.685
   71   HG11  VAL   9          HG11      VAL   9   1.405 -22.407 -14.596
   72   HG12  VAL   9          HG12      VAL   9   0.690 -23.863 -15.311
   73   HG13  VAL   9          HG13      VAL   9  -0.182 -22.327 -15.391
   74   HG21  VAL   9          HG21      VAL   9   1.636 -23.652 -12.371
   75   HG22  VAL   9          HG22      VAL   9   0.209 -24.444 -11.665
   76   HG23  VAL   9          HG23      VAL   9   0.928 -25.078 -13.145
   77    HA   PRO  10           HA       PRO  10  -3.455 -21.429  -9.768
   78    HB2  PRO  10           HB2      PRO  10  -5.961 -22.318 -10.426
   79    HB3  PRO  10           HB3      PRO  10  -5.253 -20.788 -11.047
   80    HG2  PRO  10           HG2      PRO  10  -5.291 -23.478 -12.435
   81    HG3  PRO  10           HG3      PRO  10  -5.812 -21.886 -13.082
   82    HD2  PRO  10           HD2      PRO  10  -3.325 -22.829 -13.589
   83    HD3  PRO  10           HD3      PRO  10  -3.581 -21.102 -13.209
   84    H    GLU  11           H        GLU  11  -3.363 -24.702 -11.290
   85    HA   GLU  11           HA       GLU  11  -4.622 -26.051  -9.151
   86    HB2  GLU  11           HB2      GLU  11  -2.457 -27.172 -10.994
   87    HB3  GLU  11           HB3      GLU  11  -3.606 -28.078 -10.022
   88    HG2  GLU  11           HG2      GLU  11  -4.723 -28.210 -11.967
   89    HG3  GLU  11           HG3      GLU  11  -5.420 -26.693 -11.415
   90    H    GLN  12           H        GLN  12  -1.203 -25.184  -9.636
   91    HA   GLN  12           HA       GLN  12  -0.210 -26.655  -7.324
   92    HB2  GLN  12           HB2      GLN  12   0.968 -24.526  -9.139
   93    HB3  GLN  12           HB3      GLN  12   1.841 -25.244  -7.768
   94    HG2  GLN  12           HG2      GLN  12   1.600 -27.488  -8.798
   95    HG3  GLN  12           HG3      GLN  12   0.741 -26.765 -10.161
   96   HE21  GLN  12          HE22      GLN  12   2.299 -27.313 -11.773
   97   HE22  GLN  12          HE21      GLN  12   3.900 -26.621 -11.795
   98    H    TYR  13           H        TYR  13  -1.930 -23.608  -7.560
   99    HA   TYR  13           HA       TYR  13  -0.709 -22.257  -5.360
  100    HB2  TYR  13           HB2      TYR  13  -2.363 -21.297  -6.986
  101    HB3  TYR  13           HB3      TYR  13  -3.625 -22.259  -6.224
  102    HD1  TYR  13           HD1      TYR  13  -0.918 -19.843  -5.207
  103    HD2  TYR  13           HD2      TYR  13  -5.004 -21.119  -4.702
  104    HE1  TYR  13           HE1      TYR  13  -1.361 -17.847  -3.810
  105    HE2  TYR  13           HE2      TYR  13  -5.434 -19.175  -3.235
  106    HH   TYR  13           HH       TYR  13  -4.547 -17.226  -2.289
  107    H    GLN  14           H        GLN  14  -3.028 -24.927  -5.538
  108    HA   GLN  14           HA       GLN  14  -3.899 -24.982  -2.827
  109    HB2  GLN  14           HB2      GLN  14  -3.447 -27.282  -4.777
  110    HB3  GLN  14           HB3      GLN  14  -4.448 -27.346  -3.328
  111    HG2  GLN  14           HG2      GLN  14  -6.038 -25.751  -4.267
  112    HG3  GLN  14           HG3      GLN  14  -5.023 -25.494  -5.690
  113   HE21  GLN  14          HE22      GLN  14  -4.428 -27.561  -6.947
  114   HE22  GLN  14          HE21      GLN  14  -5.732 -28.716  -7.189
  115    H    GLN  15           H        GLN  15  -0.828 -25.951  -4.306
  116    HA   GLN  15           HA       GLN  15  -0.221 -27.950  -2.306
  117    HB2  GLN  15           HB2      GLN  15   1.458 -26.669  -4.515
  118    HB3  GLN  15           HB3      GLN  15   1.986 -28.014  -3.501
  119    HG2  GLN  15           HG2      GLN  15  -0.386 -28.015  -5.425
  120    HG3  GLN  15           HG3      GLN  15   1.186 -28.750  -5.711
  121   HE21  GLN  15          HE22      GLN  15   1.869 -30.502  -4.044
  122   HE22  GLN  15          HE21      GLN  15   0.601 -31.547  -3.458
  123    H    GLU  16           H        GLU  16   0.848 -24.593  -2.924
  124    HA   GLU  16           HA       GLU  16   1.442 -24.163  -0.123
  125    HB2  GLU  16           HB2      GLU  16   3.513 -25.360  -0.973
  126    HB3  GLU  16           HB3      GLU  16   3.775 -24.035  -2.110
  127    HG2  GLU  16           HG2      GLU  16   4.116 -22.466  -0.270
  128    HG3  GLU  16           HG3      GLU  16   3.609 -23.652   0.907
  129    H    HIS  17           H        HIS  17   1.060 -21.916   0.234
  130    HA   HIS  17           HA       HIS  17   1.813 -20.005  -1.827
  131    HB2  HIS  17           HB2      HIS  17  -0.382 -18.913  -1.931
  132    HB3  HIS  17           HB3      HIS  17  -0.369 -20.509  -2.664
  133    HD1  HIS  17           HD1      HIS  17  -2.046 -22.274  -1.679
  134    HD2  HIS  17           HD2      HIS  17  -1.976 -18.519   0.200
  135    HE1  HIS  17           HE1      HIS  17  -4.120 -22.177  -0.190
  136    H    VAL  18           H        VAL  18   1.663 -17.778  -1.058
  137    HA   VAL  18           HA       VAL  18   2.471 -17.544   1.722
  138    HB   VAL  18           HB       VAL  18   2.004 -15.475  -0.480
  139   HG11  VAL  18          HG11      VAL  18   3.346 -15.190   2.237
  140   HG12  VAL  18          HG12      VAL  18   3.428 -13.982   0.930
  141   HG13  VAL  18          HG13      VAL  18   1.881 -14.355   1.683
  142   HG21  VAL  18          HG21      VAL  18   3.845 -17.004  -1.052
  143   HG22  VAL  18          HG22      VAL  18   4.490 -15.428  -0.616
  144   HG23  VAL  18          HG23      VAL  18   4.575 -16.766   0.551
  145    H    GLN  19           H        GLN  19   1.271 -16.638   3.394
  146    HA   GLN  19           HA       GLN  19  -1.573 -16.872   3.366
  147    HB2  GLN  19           HB2      GLN  19   0.397 -15.488   5.235
  148    HB3  GLN  19           HB3      GLN  19  -1.351 -15.484   5.526
  149    HG2  GLN  19           HG2      GLN  19  -1.433 -17.894   5.633
  150    HG3  GLN  19           HG3      GLN  19   0.263 -18.026   5.157
  151   HE21  GLN  19          HE22      GLN  19   0.555 -19.355   7.095
  152   HE22  GLN  19          HE21      GLN  19   0.712 -18.579   8.659
  153    H    GLY  20           H        GLY  20  -3.180 -15.467   2.871
  154    HA2  GLY  20           HA2      GLY  20  -4.302 -13.532   2.455
  155    HA3  GLY  20           HA3      GLY  20  -2.875 -12.611   2.941
  156    H    ALA  21           H        ALA  21  -1.948 -14.757   0.459
  157    HA   ALA  21           HA       ALA  21  -1.738 -12.639  -1.515
  158    HB1  ALA  21           HB1      ALA  21  -0.046 -14.434  -1.253
  159    HB2  ALA  21           HB2      ALA  21  -1.276 -15.643  -1.715
  160    HB3  ALA  21           HB3      ALA  21  -0.738 -14.418  -2.888
  161    H    ILE  22           H        ILE  22  -2.373 -13.268  -3.827
  162    HA   ILE  22           HA       ILE  22  -5.071 -14.515  -4.048
  163    HB   ILE  22           HB       ILE  22  -4.044 -12.490  -6.033
  164   HG12  ILE  22          HG12      ILE  22  -3.838 -11.181  -3.967
  165   HG13  ILE  22          HG13      ILE  22  -5.048 -10.572  -5.071
  166   HG21  ILE  22          HG21      ILE  22  -6.461 -12.047  -6.395
  167   HG22  ILE  22          HG22      ILE  22  -6.008 -13.727  -6.675
  168   HG23  ILE  22          HG23      ILE  22  -6.849 -13.282  -5.177
  169   HD11  ILE  22          HD11      ILE  22  -5.706 -12.224  -2.591
  170   HD12  ILE  22          HD12      ILE  22  -5.768 -10.457  -2.700
  171   HD13  ILE  22          HD13      ILE  22  -6.869 -11.436  -3.680
  172    H    ASN  23           H        ASN  23  -5.209 -15.820  -6.052
  173    HA   ASN  23           HA       ASN  23  -2.636 -16.185  -7.527
  174    HB2  ASN  23           HB2      ASN  23  -3.040 -18.336  -6.609
  175    HB3  ASN  23           HB3      ASN  23  -4.770 -18.273  -6.975
  176   HD21  ASN  23          HD22      ASN  23  -1.515 -18.881  -8.341
  177   HD22  ASN  23          HD21      ASN  23  -2.055 -19.242  -9.963
  178    H    ILE  24           H        ILE  24  -2.691 -15.660  -9.548
  179    HA   ILE  24           HA       ILE  24  -5.156 -15.824 -11.071
  180    HB   ILE  24           HB       ILE  24  -3.574 -13.229 -11.203
  181   HG12  ILE  24          HG12      ILE  24  -6.219 -13.488  -9.763
  182   HG13  ILE  24          HG13      ILE  24  -4.639 -13.215  -9.002
  183   HG21  ILE  24          HG21      ILE  24  -5.406 -12.494 -12.617
  184   HG22  ILE  24          HG22      ILE  24  -4.708 -13.989 -13.214
  185   HG23  ILE  24          HG23      ILE  24  -6.254 -14.042 -12.339
  186   HD11  ILE  24          HD11      ILE  24  -4.399 -11.077 -10.245
  187   HD12  ILE  24          HD12      ILE  24  -6.068 -11.275 -10.831
  188   HD13  ILE  24          HD13      ILE  24  -5.750 -11.118  -9.097
  189    HA   PRO  25           HA       PRO  25  -1.480 -17.442 -13.173
  190    HB2  PRO  25           HB2      PRO  25  -2.556 -18.287 -15.554
  191    HB3  PRO  25           HB3      PRO  25  -2.782 -19.155 -13.999
  192    HG2  PRO  25           HG2      PRO  25  -4.685 -17.210 -15.323
  193    HG3  PRO  25           HG3      PRO  25  -5.046 -18.821 -14.623
  194    HD2  PRO  25           HD2      PRO  25  -5.451 -16.499 -13.233
  195    HD3  PRO  25           HD3      PRO  25  -4.904 -17.996 -12.415
  196    H    LEU  26           H        LEU  26   0.025 -16.546 -14.614
  197    HA   LEU  26           HA       LEU  26   0.038 -13.861 -14.834
  198    HB2  LEU  26           HB2      LEU  26   1.982 -15.353 -15.010
  199    HB3  LEU  26           HB3      LEU  26   1.510 -15.808 -16.642
  200    HG   LEU  26           HG       LEU  26   1.982 -13.578 -17.484
  201   HD11  LEU  26          HD11      LEU  26   3.026 -11.837 -15.979
  202   HD12  LEU  26          HD12      LEU  26   1.315 -12.100 -15.679
  203   HD13  LEU  26          HD13      LEU  26   2.514 -12.809 -14.580
  204   HD21  LEU  26          HD21      LEU  26   4.216 -14.502 -15.618
  205   HD22  LEU  26          HD22      LEU  26   3.854 -15.196 -17.215
  206   HD23  LEU  26          HD23      LEU  26   4.402 -13.521 -17.085
  207    H    LYS  27           H        LYS  27  -1.204 -15.987 -17.410
  208    HA   LYS  27           HA       LYS  27  -1.518 -14.088 -19.463
  209    HB2  LYS  27           HB2      LYS  27  -1.757 -16.530 -19.728
  210    HB3  LYS  27           HB3      LYS  27  -3.236 -16.513 -18.753
  211    HG2  LYS  27           HG2      LYS  27  -4.368 -15.130 -20.435
  212    HG3  LYS  27           HG3      LYS  27  -2.869 -15.020 -21.386
  213    HD2  LYS  27           HD2      LYS  27  -2.896 -17.494 -21.675
  214    HD3  LYS  27           HD3      LYS  27  -4.417 -17.591 -20.783
  215    HE2  LYS  27           HE2      LYS  27  -3.985 -16.036 -23.380
  216    HE3  LYS  27           HE3      LYS  27  -4.649 -17.668 -23.286
  217    HZ1  LYS  27           HZ1      LYS  27  -5.910 -15.258 -22.113
  218    HZ2  LYS  27           HZ2      LYS  27  -6.403 -16.049 -23.446
  219    HZ3  LYS  27           HZ3      LYS  27  -6.504 -16.781 -21.998
  220    H    GLU  28           H        GLU  28  -3.663 -14.845 -16.664
  221    HA   GLU  28           HA       GLU  28  -5.677 -12.906 -17.542
  222    HB2  GLU  28           HB2      GLU  28  -5.423 -14.897 -15.333
  223    HB3  GLU  28           HB3      GLU  28  -6.200 -13.375 -14.889
  224    HG2  GLU  28           HG2      GLU  28  -7.812 -13.556 -16.679
  225    HG3  GLU  28           HG3      GLU  28  -7.061 -15.057 -17.254
  226    H    VAL  29           H        VAL  29  -2.953 -13.018 -15.228
  227    HA   VAL  29           HA       VAL  29  -3.485 -10.735 -13.735
  228    HB   VAL  29           HB       VAL  29  -0.829 -11.806 -14.740
  229   HG11  VAL  29          HG11      VAL  29  -1.235  -9.691 -12.594
  230   HG12  VAL  29          HG12      VAL  29   0.280 -10.570 -12.903
  231   HG13  VAL  29          HG13      VAL  29  -0.374  -9.497 -14.140
  232   HG21  VAL  29          HG21      VAL  29  -2.040 -11.935 -11.961
  233   HG22  VAL  29          HG22      VAL  29  -2.264 -13.210 -13.176
  234   HG23  VAL  29          HG23      VAL  29  -0.647 -12.840 -12.584
  235    H    LYS  30           H        LYS  30  -2.013 -10.833 -17.005
  236    HA   LYS  30           HA       LYS  30  -1.435  -8.074 -17.067
  237    HB2  LYS  30           HB2      LYS  30  -0.696 -10.203 -18.554
  238    HB3  LYS  30           HB3      LYS  30  -1.988  -9.626 -19.613
  239    HG2  LYS  30           HG2      LYS  30  -0.856  -7.331 -19.571
  240    HG3  LYS  30           HG3      LYS  30   0.441  -8.049 -18.629
  241    HD2  LYS  30           HD2      LYS  30  -0.418  -8.795 -21.468
  242    HD3  LYS  30           HD3      LYS  30   1.006  -7.843 -21.029
  243    HE2  LYS  30           HE2      LYS  30   1.967  -9.807 -19.854
  244    HE3  LYS  30           HE3      LYS  30   0.543 -10.767 -20.276
  245    HZ1  LYS  30           HZ1      LYS  30   2.351 -11.170 -21.821
  246    HZ2  LYS  30           HZ2      LYS  30   1.115 -10.473 -22.616
  247    HZ3  LYS  30           HZ3      LYS  30   2.438  -9.595 -22.234
  248    H    GLU  31           H        GLU  31  -4.538  -9.297 -17.010
  249    HA   GLU  31           HA       GLU  31  -5.544  -6.697 -18.048
  250    HB2  GLU  31           HB2      GLU  31  -6.174  -8.552 -19.578
  251    HB3  GLU  31           HB3      GLU  31  -6.813  -9.466 -18.212
  252    HG2  GLU  31           HG2      GLU  31  -8.673  -8.527 -19.301
  253    HG3  GLU  31           HG3      GLU  31  -8.467  -7.622 -17.810
  254    H    ARG  32           H        ARG  32  -6.086  -9.508 -15.914
  255    HA   ARG  32           HA       ARG  32  -8.121  -8.309 -14.391
  256    HB2  ARG  32           HB2      ARG  32  -7.689 -10.754 -14.762
  257    HB3  ARG  32           HB3      ARG  32  -6.353 -10.661 -13.601
  258    HG2  ARG  32           HG2      ARG  32  -7.862 -10.123 -11.798
  259    HG3  ARG  32           HG3      ARG  32  -9.211  -9.830 -12.914
  260    HD2  ARG  32           HD2      ARG  32  -9.338 -12.163 -13.519
  261    HD3  ARG  32           HD3      ARG  32  -7.827 -12.524 -12.675
  262    HE   ARG  32           HE       ARG  32  -9.704 -11.423 -10.835
  263   HH11  ARG  32          HH21      ARG  32  -9.153 -14.410 -12.716
  264   HH12  ARG  32          HH22      ARG  32  -9.846 -15.439 -11.506
  265   HH21  ARG  32          HH11      ARG  32 -10.656 -12.810  -9.262
  266   HH22  ARG  32          HH12      ARG  32 -10.741 -14.509  -9.526
  267    H    ILE  33           H        ILE  33  -4.612  -7.993 -14.017
  268    HA   ILE  33           HA       ILE  33  -4.682  -7.249 -11.263
  269    HB   ILE  33           HB       ILE  33  -2.577  -7.673 -12.595
  270   HG12  ILE  33          HG12      ILE  33  -1.273  -5.733 -11.458
  271   HG13  ILE  33          HG13      ILE  33  -2.817  -5.210 -10.804
  272   HG21  ILE  33          HG21      ILE  33  -2.841  -4.787 -13.506
  273   HG22  ILE  33          HG22      ILE  33  -1.562  -5.938 -13.896
  274   HG23  ILE  33          HG23      ILE  33  -3.184  -6.180 -14.545
  275   HD11  ILE  33          HD11      ILE  33  -1.605  -6.638  -9.219
  276   HD12  ILE  33          HD12      ILE  33  -3.092  -7.459  -9.729
  277   HD13  ILE  33          HD13      ILE  33  -1.524  -7.949 -10.410
  278    H    ALA  34           H        ALA  34  -5.546  -5.445 -14.253
  279    HA   ALA  34           HA       ALA  34  -5.743  -2.901 -12.992
  280    HB1  ALA  34           HB1      ALA  34  -5.816  -3.258 -15.465
  281    HB2  ALA  34           HB2      ALA  34  -7.431  -3.992 -15.286
  282    HB3  ALA  34           HB3      ALA  34  -7.181  -2.284 -14.879
  283    H    THR  35           H        THR  35  -8.046  -5.607 -13.149
  284    HA   THR  35           HA       THR  35 -10.213  -4.212 -11.901
  285    HB   THR  35           HB       THR  35  -9.773  -7.219 -11.899
  286    HG1  THR  35           HG1      THR  35 -10.599  -7.234 -14.009
  287   HG21  THR  35          HG21      THR  35 -12.268  -5.499 -12.288
  288   HG22  THR  35          HG22      THR  35 -12.216  -7.277 -12.262
  289   HG23  THR  35          HG23      THR  35 -11.824  -6.362 -10.800
  290    H    ALA  36           H        ALA  36  -7.626  -6.370 -10.734
  291    HA   ALA  36           HA       ALA  36  -8.717  -6.529  -8.047
  292    HB1  ALA  36           HB1      ALA  36  -6.709  -7.912  -7.616
  293    HB2  ALA  36           HB2      ALA  36  -7.536  -8.418  -9.100
  294    HB3  ALA  36           HB3      ALA  36  -6.046  -7.455  -9.199
  295    H    VAL  37           H        VAL  37  -6.194  -4.637  -9.613
  296    HA   VAL  37           HA       VAL  37  -5.589  -3.116  -7.157
  297    HB   VAL  37           HB       VAL  37  -3.414  -4.237  -8.963
  298   HG11  VAL  37          HG11      VAL  37  -1.973  -3.613  -7.063
  299   HG12  VAL  37          HG12      VAL  37  -2.837  -2.226  -7.710
  300   HG13  VAL  37          HG13      VAL  37  -3.391  -2.965  -6.199
  301   HG21  VAL  37          HG21      VAL  37  -4.310  -6.222  -8.006
  302   HG22  VAL  37          HG22      VAL  37  -2.833  -5.823  -7.144
  303   HG23  VAL  37          HG23      VAL  37  -4.411  -5.483  -6.391
  304    HA   PRO  38           HA       PRO  38  -6.206  -0.605 -11.052
  305    HB2  PRO  38           HB2      PRO  38  -7.839   1.342  -9.951
  306    HB3  PRO  38           HB3      PRO  38  -8.427  -0.183 -10.676
  307    HG2  PRO  38           HG2      PRO  38  -7.941   0.428  -7.750
  308    HG3  PRO  38           HG3      PRO  38  -9.359  -0.377  -8.497
  309    HD2  PRO  38           HD2      PRO  38  -7.348  -1.805  -7.336
  310    HD3  PRO  38           HD3      PRO  38  -8.147  -2.394  -8.824
  311    H    ASP  39           H        ASP  39  -5.205   0.097  -7.731
  312    HA   ASP  39           HA       ASP  39  -3.933   2.645  -8.336
  313    HB2  ASP  39           HB2      ASP  39  -4.682   2.208  -6.078
  314    HB3  ASP  39           HB3      ASP  39  -3.677   0.757  -5.974
  315    H    LYS  40           H        LYS  40  -2.462   2.452  -9.982
  316    HA   LYS  40           HA       LYS  40  -0.641   0.318 -10.351
  317    HB2  LYS  40           HB2      LYS  40  -0.709   3.201 -11.299
  318    HB3  LYS  40           HB3      LYS  40   0.645   2.146 -11.697
  319    HG2  LYS  40           HG2      LYS  40  -0.901   0.477 -12.677
  320    HG3  LYS  40           HG3      LYS  40  -2.274   1.543 -12.334
  321    HD2  LYS  40           HD2      LYS  40  -1.349   3.256 -13.857
  322    HD3  LYS  40           HD3      LYS  40   0.101   2.279 -14.098
  323    HE2  LYS  40           HE2      LYS  40  -1.281   1.965 -16.020
  324    HE3  LYS  40           HE3      LYS  40  -1.267   0.461 -15.101
  325    HZ1  LYS  40           HZ1      LYS  40  -3.464   1.057 -14.230
  326    HZ2  LYS  40           HZ2      LYS  40  -3.456   2.468 -15.063
  327    HZ3  LYS  40           HZ3      LYS  40  -3.490   1.051 -15.860
  328    H    ASN  41           H        ASN  41  -0.540   2.688  -7.837
  329    HA   ASN  41           HA       ASN  41   2.396   2.401  -7.548
  330    HB2  ASN  41           HB2      ASN  41   0.984   4.651  -7.407
  331    HB3  ASN  41           HB3      ASN  41   0.695   4.120  -5.752
  332   HD21  ASN  41          HD22      ASN  41   2.912   3.339  -4.643
  333   HD22  ASN  41          HD21      ASN  41   4.310   4.343  -4.947
  334    H    ASP  42           H        ASP  42  -0.130   0.443  -6.764
  335    HA   ASP  42           HA       ASP  42   0.395  -0.064  -3.956
  336    HB2  ASP  42           HB2      ASP  42  -1.608  -0.919  -5.318
  337    HB3  ASP  42           HB3      ASP  42  -0.460  -2.116  -5.991
  338    H    THR  43           H        THR  43   1.826  -1.637  -3.053
  339    HA   THR  43           HA       THR  43   4.081  -2.397  -4.711
  340    HB   THR  43           HB       THR  43   3.583  -3.090  -1.805
  341    HG1  THR  43           HG1      THR  43   3.653  -0.959  -1.832
  342   HG21  THR  43          HG21      THR  43   6.056  -3.348  -1.848
  343   HG22  THR  43          HG22      THR  43   5.209  -4.469  -2.937
  344   HG23  THR  43          HG23      THR  43   6.023  -3.052  -3.615
  345    H    VAL  44           H        VAL  44   2.987  -3.691  -6.260
  346    HA   VAL  44           HA       VAL  44   1.689  -6.165  -5.364
  347    HB   VAL  44           HB       VAL  44   2.595  -5.416  -8.188
  348   HG11  VAL  44          HG11      VAL  44   0.624  -7.476  -7.097
  349   HG12  VAL  44          HG12      VAL  44   0.887  -7.133  -8.825
  350   HG13  VAL  44          HG13      VAL  44   2.182  -7.840  -7.854
  351   HG21  VAL  44          HG21      VAL  44   0.193  -4.828  -8.567
  352   HG22  VAL  44          HG22      VAL  44  -0.107  -5.020  -6.823
  353   HG23  VAL  44          HG23      VAL  44   0.967  -3.736  -7.418
  354    H    LYS  45           H        LYS  45   2.791  -7.884  -4.695
  355    HA   LYS  45           HA       LYS  45   5.638  -8.228  -5.474
  356    HB2  LYS  45           HB2      LYS  45   4.043  -9.296  -3.104
  357    HB3  LYS  45           HB3      LYS  45   5.733  -9.694  -3.473
  358    HG2  LYS  45           HG2      LYS  45   6.254  -7.232  -3.462
  359    HG3  LYS  45           HG3      LYS  45   4.598  -6.921  -2.911
  360    HD2  LYS  45           HD2      LYS  45   4.984  -7.945  -0.809
  361    HD3  LYS  45           HD3      LYS  45   6.486  -8.730  -1.357
  362    HE2  LYS  45           HE2      LYS  45   7.625  -6.602  -1.560
  363    HE3  LYS  45           HE3      LYS  45   6.133  -5.705  -1.246
  364    HZ1  LYS  45           HZ1      LYS  45   7.647  -5.880   0.680
  365    HZ2  LYS  45           HZ2      LYS  45   6.132  -6.396   0.980
  366    HZ3  LYS  45           HZ3      LYS  45   7.367  -7.485   0.768
  367    H    VAL  46           H        VAL  46   5.749  -9.436  -7.291
  368    HA   VAL  46           HA       VAL  46   3.672 -11.468  -7.796
  369    HB   VAL  46           HB       VAL  46   4.840 -11.749  -9.974
  370   HG11  VAL  46          HG11      VAL  46   3.977  -8.896  -9.311
  371   HG12  VAL  46          HG12      VAL  46   4.007  -9.644 -10.920
  372   HG13  VAL  46          HG13      VAL  46   2.891 -10.253  -9.689
  373   HG21  VAL  46          HG21      VAL  46   6.467  -9.284  -9.194
  374   HG22  VAL  46          HG22      VAL  46   7.117 -10.936  -9.353
  375   HG23  VAL  46          HG23      VAL  46   6.445 -10.104 -10.757
  376    H    TYR  47           H        TYR  47   3.968 -13.670  -7.693
  377    HA   TYR  47           HA       TYR  47   6.645 -14.787  -7.482
  378    HB2  TYR  47           HB2      TYR  47   6.487 -15.806  -5.427
  379    HB3  TYR  47           HB3      TYR  47   5.982 -14.159  -5.117
  380    HD1  TYR  47           HD2      TYR  47   3.459 -13.653  -4.894
  381    HD2  TYR  47           HD1      TYR  47   5.135 -17.629  -4.814
  382    HE1  TYR  47           HE2      TYR  47   1.469 -14.468  -3.670
  383    HE2  TYR  47           HE1      TYR  47   3.155 -18.437  -3.562
  384    HH   TYR  47           HH       TYR  47   0.438 -16.318  -2.670
  385    H    CYS  48           H        CYS  48   6.357 -17.338  -7.227
  386    HA   CYS  48           HA       CYS  48   4.062 -18.611  -8.217
  387    HB2  CYS  48           HB2      CYS  48   4.673 -17.589 -10.344
  388    HB3  CYS  48           HB3      CYS  48   6.392 -17.925 -10.080
  389    HG   CYS  48           HG       CYS  48   6.333 -19.579 -11.674
  390    H    ASN  49           H        ASN  49   4.675 -20.996  -8.405
  391    HA   ASN  49           HA       ASN  49   6.692 -21.849  -6.509
  392    HB2  ASN  49           HB2      ASN  49   4.616 -23.117  -6.977
  393    HB3  ASN  49           HB3      ASN  49   5.175 -23.411  -8.632
  394   HD21  ASN  49          HD22      ASN  49   5.291 -25.666  -8.495
  395   HD22  ASN  49          HD21      ASN  49   6.412 -26.500  -7.435
  396    H    ALA  50           H        ALA  50   6.893 -20.829  -9.790
  397    HA   ALA  50           HA       ALA  50   9.681 -21.823 -10.015
  398    HB1  ALA  50           HB1      ALA  50   7.604 -21.697 -12.252
  399    HB2  ALA  50           HB2      ALA  50   9.324 -22.100 -12.436
  400    HB3  ALA  50           HB3      ALA  50   8.259 -23.178 -11.516
  401    H    GLY  51           H        GLY  51  10.738 -19.980  -9.567
  402    HA2  GLY  51           HA2      GLY  51   9.673 -17.420  -9.563
  403    HA3  GLY  51           HA3      GLY  51  11.396 -17.807  -9.509
  404    H    ARG  52           H        ARG  52  11.126 -19.068 -12.305
  405    HA   ARG  52           HA       ARG  52  12.000 -16.969 -13.906
  406    HB2  ARG  52           HB2      ARG  52  11.237 -18.422 -15.860
  407    HB3  ARG  52           HB3      ARG  52  12.391 -19.127 -14.733
  408    HG2  ARG  52           HG2      ARG  52  10.757 -20.538 -13.726
  409    HG3  ARG  52           HG3      ARG  52   9.415 -19.658 -14.452
  410    HD2  ARG  52           HD2      ARG  52  10.144 -20.454 -16.715
  411    HD3  ARG  52           HD3      ARG  52  11.439 -21.371 -15.940
  412    HE   ARG  52           HE       ARG  52   9.948 -22.980 -15.317
  413   HH11  ARG  52          HH11      ARG  52   8.052 -20.163 -16.353
  414   HH12  ARG  52          HH12      ARG  52   6.532 -20.811 -15.824
  415   HH21  ARG  52          HH21      ARG  52   7.895 -23.945 -14.871
  416   HH22  ARG  52          HH22      ARG  52   6.440 -23.069 -15.163
  417    H    GLN  53           H        GLN  53   8.545 -18.052 -13.560
  418    HA   GLN  53           HA       GLN  53   7.824 -15.920 -15.442
  419    HB2  GLN  53           HB2      GLN  53   5.540 -16.632 -15.282
  420    HB3  GLN  53           HB3      GLN  53   6.645 -17.918 -15.737
  421    HG2  GLN  53           HG2      GLN  53   6.527 -18.793 -13.391
  422    HG3  GLN  53           HG3      GLN  53   5.299 -17.571 -13.032
  423   HE21  GLN  53          HE22      GLN  53   3.065 -17.984 -13.821
  424   HE22  GLN  53          HE21      GLN  53   2.706 -19.411 -14.746
  425    H    SER  54           H        SER  54   8.082 -16.191 -11.907
  426    HA   SER  54           HA       SER  54   6.594 -13.828 -11.304
  427    HB2  SER  54           HB2      SER  54   9.198 -14.591  -9.956
  428    HB3  SER  54           HB3      SER  54   7.770 -13.825  -9.256
  429    HG   SER  54           HG       SER  54   8.082 -16.046  -8.713
  430    H    GLY  55           H        GLY  55   9.976 -14.409 -12.413
  431    HA2  GLY  55           HA2      GLY  55  10.894 -11.713 -12.260
  432    HA3  GLY  55           HA3      GLY  55  11.561 -13.004 -13.280
  433    H    GLN  56           H        GLN  56   9.627 -13.633 -15.042
  434    HA   GLN  56           HA       GLN  56   9.569 -11.510 -16.886
  435    HB2  GLN  56           HB2      GLN  56   9.319 -13.925 -17.436
  436    HB3  GLN  56           HB3      GLN  56   7.714 -13.924 -16.692
  437    HG2  GLN  56           HG2      GLN  56   7.576 -13.838 -19.128
  438    HG3  GLN  56           HG3      GLN  56   6.862 -12.421 -18.386
  439   HE21  GLN  56          HE22      GLN  56   8.040 -10.335 -18.531
  440   HE22  GLN  56          HE21      GLN  56   9.198 -10.105 -19.827
  441    H    ALA  57           H        ALA  57   7.098 -12.496 -14.455
  442    HA   ALA  57           HA       ALA  57   5.103 -10.674 -15.261
  443    HB1  ALA  57           HB1      ALA  57   4.678 -12.556 -13.762
  444    HB2  ALA  57           HB2      ALA  57   5.640 -11.785 -12.482
  445    HB3  ALA  57           HB3      ALA  57   4.142 -11.021 -13.051
  446    H    LYS  58           H        LYS  58   7.944 -10.164 -13.051
  447    HA   LYS  58           HA       LYS  58   7.041  -7.655 -12.127
  448    HB2  LYS  58           HB2      LYS  58   8.852  -8.543 -10.959
  449    HB3  LYS  58           HB3      LYS  58   9.880  -8.655 -12.401
  450    HG2  LYS  58           HG2      LYS  58  10.274  -6.350 -12.490
  451    HG3  LYS  58           HG3      LYS  58   8.803  -5.942 -11.605
  452    HD2  LYS  58           HD2      LYS  58   9.739  -6.597  -9.512
  453    HD3  LYS  58           HD3      LYS  58  11.234  -7.184 -10.283
  454    HE2  LYS  58           HE2      LYS  58  12.007  -5.067 -10.791
  455    HE3  LYS  58           HE3      LYS  58  10.395  -4.355 -10.854
  456    HZ1  LYS  58           HZ1      LYS  58  11.567  -5.196  -8.257
  457    HZ2  LYS  58           HZ2      LYS  58  11.828  -3.717  -8.916
  458    HZ3  LYS  58           HZ3      LYS  58  10.306  -4.168  -8.559
  459    H    GLU  59           H        GLU  59   8.807  -8.580 -15.094
  460    HA   GLU  59           HA       GLU  59   9.322  -5.861 -15.937
  461    HB2  GLU  59           HB2      GLU  59   9.337  -8.502 -17.468
  462    HB3  GLU  59           HB3      GLU  59   9.863  -6.948 -18.129
  463    HG2  GLU  59           HG2      GLU  59  11.570  -6.772 -16.312
  464    HG3  GLU  59           HG3      GLU  59  11.095  -8.365 -15.725
  465    H    ILE  60           H        ILE  60   6.816  -8.302 -16.675
  466    HA   ILE  60           HA       ILE  60   5.364  -6.832 -18.615
  467    HB   ILE  60           HB       ILE  60   4.767  -9.057 -16.656
  468   HG12  ILE  60          HG12      ILE  60   4.641  -8.983 -19.703
  469   HG13  ILE  60          HG13      ILE  60   6.107  -9.363 -18.808
  470   HG21  ILE  60          HG21      ILE  60   2.648  -7.898 -16.721
  471   HG22  ILE  60          HG22      ILE  60   2.707  -7.825 -18.498
  472   HG23  ILE  60          HG23      ILE  60   2.519  -9.380 -17.633
  473   HD11  ILE  60          HD11      ILE  60   4.958 -11.294 -17.731
  474   HD12  ILE  60          HD12      ILE  60   3.530 -10.991 -18.746
  475   HD13  ILE  60          HD13      ILE  60   5.065 -11.426 -19.500
  476    H    LEU  61           H        LEU  61   4.870  -6.911 -14.999
  477    HA   LEU  61           HA       LEU  61   2.699  -5.029 -15.254
  478    HB2  LEU  61           HB2      LEU  61   4.352  -5.872 -12.861
  479    HB3  LEU  61           HB3      LEU  61   2.960  -4.785 -12.770
  480    HG   LEU  61           HG       LEU  61   2.946  -7.712 -13.602
  481   HD11  LEU  61          HD11      LEU  61   3.093  -7.223 -11.168
  482   HD12  LEU  61          HD12      LEU  61   1.614  -6.244 -11.282
  483   HD13  LEU  61          HD13      LEU  61   1.559  -7.993 -11.601
  484   HD21  LEU  61          HD21      LEU  61   1.291  -6.746 -15.026
  485   HD22  LEU  61          HD22      LEU  61   0.411  -7.394 -13.647
  486   HD23  LEU  61          HD23      LEU  61   0.724  -5.649 -13.740
  487    H    SER  62           H        SER  62   6.203  -4.623 -14.778
  488    HA   SER  62           HA       SER  62   6.101  -1.809 -14.228
  489    HB2  SER  62           HB2      SER  62   8.287  -3.411 -15.622
  490    HB3  SER  62           HB3      SER  62   8.451  -1.813 -14.875
  491    HG   SER  62           HG       SER  62   7.941  -4.319 -13.642
  492    H    GLU  63           H        GLU  63   6.217  -3.704 -17.308
  493    HA   GLU  63           HA       GLU  63   6.266  -1.459 -19.042
  494    HB2  GLU  63           HB2      GLU  63   6.931  -3.702 -19.704
  495    HB3  GLU  63           HB3      GLU  63   5.295  -4.317 -19.460
  496    HG2  GLU  63           HG2      GLU  63   4.437  -2.965 -21.277
  497    HG3  GLU  63           HG3      GLU  63   5.994  -2.142 -21.461
  498    H    MET  64           H        MET  64   3.549  -3.229 -17.501
  499    HA   MET  64           HA       MET  64   1.454  -1.695 -18.759
  500    HB2  MET  64           HB2      MET  64   1.528  -3.275 -16.158
  501    HB3  MET  64           HB3      MET  64   0.085  -2.497 -16.800
  502    HG2  MET  64           HG2      MET  64   0.225  -3.845 -18.852
  503    HG3  MET  64           HG3      MET  64   1.685  -4.626 -18.253
  504    HE1  MET  64           HE1      MET  64  -1.790  -3.749 -16.350
  505    HE2  MET  64           HE2      MET  64  -2.169  -4.268 -18.012
  506    HE3  MET  64           HE3      MET  64  -2.607  -5.297 -16.635
  507    H    GLY  65           H        GLY  65   3.856  -0.654 -16.571
  508    HA2  GLY  65           HA2      GLY  65   4.149   1.552 -16.005
  509    HA3  GLY  65           HA3      GLY  65   2.435   1.891 -16.276
  510    H    TYR  66           H        TYR  66   3.003  -0.889 -14.231
  511    HA   TYR  66           HA       TYR  66   2.073   0.526 -11.844
  512    HB2  TYR  66           HB2      TYR  66   3.068  -2.285 -12.366
  513    HB3  TYR  66           HB3      TYR  66   2.767  -1.667 -10.745
  514    HD1  TYR  66           HD1      TYR  66   1.020  -2.038 -14.077
  515    HD2  TYR  66           HD2      TYR  66   0.668  -1.982  -9.775
  516    HE1  TYR  66           HE1      TYR  66  -1.416  -2.452 -14.271
  517    HE2  TYR  66           HE2      TYR  66  -1.755  -2.445  -9.967
  518    HH   TYR  66           HH       TYR  66  -3.561  -2.504 -11.387
  519    H    THR  67           H        THR  67   3.398   1.394 -10.234
  520    HA   THR  67           HA       THR  67   6.206   1.782 -11.082
  521    HB   THR  67           HB       THR  67   5.971   3.780  -9.535
  522    HG1  THR  67           HG1      THR  67   3.927   4.281  -8.839
  523   HG21  THR  67          HG21      THR  67   5.615   3.938 -12.015
  524   HG22  THR  67          HG22      THR  67   3.881   3.640 -11.755
  525   HG23  THR  67          HG23      THR  67   4.645   5.097 -11.091
  526    H    HIS  68           H        HIS  68   4.502   0.097  -8.603
  527    HA   HIS  68           HA       HIS  68   6.997  -0.072  -6.993
  528    HB2  HIS  68           HB2      HIS  68   4.111   0.347  -6.179
  529    HB3  HIS  68           HB3      HIS  68   5.173  -0.535  -5.099
  530    HD1  HIS  68           HD1      HIS  68   5.712   1.000  -3.196
  531    HD2  HIS  68           HD2      HIS  68   5.866   2.864  -6.966
  532    HE1  HIS  68           HE1      HIS  68   6.502   3.388  -2.785
  533    H    VAL  69           H        VAL  69   6.286  -1.728  -9.210
  534    HA   VAL  69           HA       VAL  69   5.301  -4.290  -8.269
  535    HB   VAL  69           HB       VAL  69   7.178  -3.761 -10.620
  536   HG11  VAL  69          HG11      VAL  69   6.157  -5.791 -11.543
  537   HG12  VAL  69          HG12      VAL  69   6.908  -6.156  -9.988
  538   HG13  VAL  69          HG13      VAL  69   5.144  -5.985 -10.094
  539   HG21  VAL  69          HG21      VAL  69   5.178  -3.656 -12.041
  540   HG22  VAL  69          HG22      VAL  69   4.134  -3.720 -10.598
  541   HG23  VAL  69          HG23      VAL  69   5.204  -2.326 -10.900
  542    H    GLU  70           H        GLU  70   6.460  -5.883  -7.179
  543    HA   GLU  70           HA       GLU  70   9.376  -5.689  -7.295
  544    HB2  GLU  70           HB2      GLU  70   8.648  -4.613  -5.169
  545    HB3  GLU  70           HB3      GLU  70   7.875  -6.126  -4.695
  546    HG2  GLU  70           HG2      GLU  70  10.049  -5.856  -3.624
  547    HG3  GLU  70           HG3      GLU  70  10.058  -7.265  -4.677
  548    H    ASN  71           H        ASN  71  10.478  -7.608  -7.112
  549    HA   ASN  71           HA       ASN  71   8.846  -9.952  -7.976
  550    HB2  ASN  71           HB2      ASN  71  10.657  -9.243  -9.508
  551    HB3  ASN  71           HB3      ASN  71  11.841  -9.351  -8.196
  552   HD21  ASN  71          HD22      ASN  71   9.406 -11.244 -10.061
  553   HD22  ASN  71          HD21      ASN  71  10.241 -12.775  -9.827
  554    H    ALA  72           H        ALA  72   8.262 -11.180  -6.197
  555    HA   ALA  72           HA       ALA  72   9.933 -11.111  -3.813
  556    HB1  ALA  72           HB1      ALA  72   7.543 -12.850  -4.491
  557    HB2  ALA  72           HB2      ALA  72   8.305 -12.703  -2.895
  558    HB3  ALA  72           HB3      ALA  72   7.490 -11.304  -3.618
  559    H    GLY  73           H        GLY  73   9.318 -13.447  -6.482
  560    HA2  GLY  73           HA2      GLY  73  11.516 -14.428  -7.258
  561    HA3  GLY  73           HA3      GLY  73  11.728 -14.983  -5.597
  562    H    GLY  74           H        GLY  74  11.783 -17.137  -6.183
  563    HA2  GLY  74           HA2      GLY  74   9.281 -18.399  -7.174
  564    HA3  GLY  74           HA3      GLY  74  10.854 -19.193  -6.996
  565    H    LEU  75           H        LEU  75   8.099 -19.672  -5.750
  566    HA   LEU  75           HA       LEU  75   7.986 -18.811  -3.151
  567    HB2  LEU  75           HB2      LEU  75   6.186 -19.870  -4.544
  568    HB3  LEU  75           HB3      LEU  75   6.890 -21.453  -4.190
  569    HG   LEU  75           HG       LEU  75   6.410 -21.209  -1.825
  570   HD11  LEU  75          HD11      LEU  75   6.660 -18.863  -1.334
  571   HD12  LEU  75          HD12      LEU  75   5.449 -18.408  -2.536
  572   HD13  LEU  75          HD13      LEU  75   4.959 -19.243  -1.053
  573   HD21  LEU  75          HD21      LEU  75   4.108 -20.486  -3.663
  574   HD22  LEU  75          HD22      LEU  75   4.677 -22.115  -3.267
  575   HD23  LEU  75          HD23      LEU  75   3.912 -21.117  -2.017
  576    H    LYS  76           H        LYS  76   9.865 -21.545  -4.310
  577    HA   LYS  76           HA       LYS  76  10.286 -22.804  -1.762
  578    HB2  LYS  76           HB2      LYS  76  12.013 -22.811  -4.281
  579    HB3  LYS  76           HB3      LYS  76  12.202 -23.901  -2.902
  580    HG2  LYS  76           HG2      LYS  76   9.917 -24.802  -3.282
  581    HG3  LYS  76           HG3      LYS  76   9.724 -23.731  -4.683
  582    HD2  LYS  76           HD2      LYS  76  11.672 -24.820  -5.780
  583    HD3  LYS  76           HD3      LYS  76  11.816 -25.928  -4.395
  584    HE2  LYS  76           HE2      LYS  76   9.497 -26.732  -4.812
  585    HE3  LYS  76           HE3      LYS  76   9.359 -25.629  -6.187
  586    HZ1  LYS  76           HZ1      LYS  76  11.157 -26.857  -7.265
  587    HZ2  LYS  76           HZ2      LYS  76  11.289 -27.873  -5.990
  588    HZ3  LYS  76           HZ3      LYS  76   9.935 -27.868  -6.893
  589    H    ASP  77           H        ASP  77  11.786 -19.998  -3.346
  590    HA   ASP  77           HA       ASP  77  14.013 -19.909  -1.405
  591    HB2  ASP  77           HB2      ASP  77  14.440 -19.315  -3.747
  592    HB3  ASP  77           HB3      ASP  77  13.200 -18.060  -3.681
  593    H    ILE  78           H        ILE  78  10.890 -18.346  -2.083
  594    HA   ILE  78           HA       ILE  78  11.131 -16.118  -0.345
  595    HB   ILE  78           HB       ILE  78   8.749 -17.694  -1.366
  596   HG12  ILE  78          HG12      ILE  78   9.797 -14.911  -2.070
  597   HG13  ILE  78          HG13      ILE  78  10.187 -16.361  -2.981
  598   HG21  ILE  78          HG21      ILE  78   7.264 -15.864  -0.628
  599   HG22  ILE  78          HG22      ILE  78   8.027 -16.630   0.747
  600   HG23  ILE  78          HG23      ILE  78   8.632 -15.059   0.169
  601   HD11  ILE  78          HD11      ILE  78   7.730 -16.682  -3.451
  602   HD12  ILE  78          HD12      ILE  78   7.443 -15.088  -2.721
  603   HD13  ILE  78          HD13      ILE  78   8.461 -15.236  -4.159
  604    H    ALA  79           H        ALA  79  10.901 -15.851   1.782
  605    HA   ALA  79           HA       ALA  79  10.154 -18.136   3.538
  606    HB1  ALA  79           HB1      ALA  79  11.838 -17.305   5.143
  607    HB2  ALA  79           HB2      ALA  79  12.585 -17.840   3.625
  608    HB3  ALA  79           HB3      ALA  79  12.391 -16.104   3.956
  609    H    MET  80           H        MET  80   8.050 -17.414   3.613
  610    HA   MET  80           HA       MET  80   7.420 -14.965   5.089
  611    HB2  MET  80           HB2      MET  80   7.537 -14.428   2.582
  612    HB3  MET  80           HB3      MET  80   6.255 -15.612   2.333
  613    HG2  MET  80           HG2      MET  80   5.314 -13.418   2.336
  614    HG3  MET  80           HG3      MET  80   4.760 -14.249   3.782
  615    HE1  MET  80           HE1      MET  80   3.901 -12.030   4.867
  616    HE2  MET  80           HE2      MET  80   4.845 -10.525   4.925
  617    HE3  MET  80           HE3      MET  80   4.346 -11.202   3.358
  618    HA   PRO  81           HA       PRO  81   4.600 -17.943   6.876
  619    HB2  PRO  81           HB2      PRO  81   2.522 -15.750   6.624
  620    HB3  PRO  81           HB3      PRO  81   2.822 -16.864   8.002
  621    HG2  PRO  81           HG2      PRO  81   3.817 -14.358   8.079
  622    HG3  PRO  81           HG3      PRO  81   4.859 -15.738   8.562
  623    HD2  PRO  81           HD2      PRO  81   4.807 -14.235   5.953
  624    HD3  PRO  81           HD3      PRO  81   6.218 -14.801   6.898
  625    H    LYS  82           H        LYS  82   3.258 -19.560   6.141
  626    HA   LYS  82           HA       LYS  82   2.180 -19.276   3.374
  627    HB2  LYS  82           HB2      LYS  82   4.191 -21.166   4.587
  628    HB3  LYS  82           HB3      LYS  82   3.092 -21.838   3.390
  629    HG2  LYS  82           HG2      LYS  82   3.838 -20.538   1.663
  630    HG3  LYS  82           HG3      LYS  82   4.505 -19.268   2.715
  631    HD2  LYS  82           HD2      LYS  82   6.299 -20.880   3.443
  632    HD3  LYS  82           HD3      LYS  82   5.649 -22.055   2.278
  633    HE2  LYS  82           HE2      LYS  82   5.956 -20.224   0.501
  634    HE3  LYS  82           HE3      LYS  82   6.879 -19.315   1.708
  635    HZ1  LYS  82           HZ1      LYS  82   7.509 -21.993   0.608
  636    HZ2  LYS  82           HZ2      LYS  82   8.328 -20.621   0.273
  637    HZ3  LYS  82           HZ3      LYS  82   8.413 -21.246   1.787
  638    H    VAL  83           H        VAL  83   0.826 -21.056   2.716
  639    HA   VAL  83           HA       VAL  83  -0.620 -22.574   4.788
  640    HB   VAL  83           HB       VAL  83  -1.956 -21.254   2.387
  641   HG11  VAL  83          HG11      VAL  83  -4.065 -21.859   3.547
  642   HG12  VAL  83          HG12      VAL  83  -3.093 -23.286   3.199
  643   HG13  VAL  83          HG13      VAL  83  -3.131 -22.622   4.851
  644   HG21  VAL  83          HG21      VAL  83  -1.997 -20.270   5.262
  645   HG22  VAL  83          HG22      VAL  83  -1.403 -19.405   3.817
  646   HG23  VAL  83          HG23      VAL  83  -3.122 -19.731   3.994
  647    H    LYS  84           H        LYS  84  -1.167 -24.701   3.854
  648    HA   LYS  84           HA       LYS  84   0.000 -25.305   1.202
  649    HB2  LYS  84           HB2      LYS  84   0.796 -26.845   3.706
  650    HB3  LYS  84           HB3      LYS  84   1.395 -27.055   2.063
  651    HG2  LYS  84           HG2      LYS  84   2.294 -24.597   2.311
  652    HG3  LYS  84           HG3      LYS  84   2.016 -24.830   4.038
  653    HD2  LYS  84           HD2      LYS  84   3.449 -26.930   3.901
  654    HD3  LYS  84           HD3      LYS  84   3.774 -26.510   2.206
  655    HE2  LYS  84           HE2      LYS  84   4.532 -24.195   3.180
  656    HE3  LYS  84           HE3      LYS  84   4.604 -25.039   4.734
  657    HZ1  LYS  84           HZ1      LYS  84   6.741 -25.120   3.650
  658    HZ2  LYS  84           HZ2      LYS  84   6.139 -26.638   3.619
  659    HZ3  LYS  84           HZ3      LYS  84   6.089 -25.699   2.258
  660    H    GLY  85           H        GLY  85  -0.474 -27.643   0.605
  661    HA2  GLY  85           HA2      GLY  85  -2.428 -29.154   2.045
  662    HA3  GLY  85           HA3      GLY  85  -3.176 -28.251   0.711
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1   1.688  -0.467   2.173
    2    H2   ALA   1           H2       ALA   1   0.214   0.255   2.197
    3    H3   ALA   1           H3       ALA   1   0.332  -1.378   2.245
    4    HA   ALA   1           HA       ALA   1  -0.343  -0.671   0.052
    5    HB1  ALA   1           HB1      ALA   1   0.652   1.571   0.103
    6    HB2  ALA   1           HB2      ALA   1   2.286   0.872   0.062
    7    HB3  ALA   1           HB3      ALA   1   1.194   0.678  -1.319
    8    H    GLU   2           H        GLU   2  -0.097  -3.092   0.367
    9    HA   GLU   2           HA       GLU   2   2.037  -4.126  -1.310
   10    HB2  GLU   2           HB2      GLU   2   3.143  -4.108   0.905
   11    HB3  GLU   2           HB3      GLU   2   1.755  -4.929   1.626
   12    HG2  GLU   2           HG2      GLU   2   2.238  -6.915   0.128
   13    HG3  GLU   2           HG3      GLU   2   3.686  -6.075  -0.429
   14    H    HIS   3           H        HIS   3   1.342  -5.869  -2.390
   15    HA   HIS   3           HA       HIS   3  -0.754  -7.633  -1.314
   16    HB2  HIS   3           HB2      HIS   3  -0.598  -6.719  -4.223
   17    HB3  HIS   3           HB3      HIS   3  -1.714  -7.903  -3.553
   18    HD1  HIS   3           HD1      HIS   3  -3.374  -6.599  -1.448
   19    HD2  HIS   3           HD2      HIS   3  -1.683  -4.450  -4.647
   20    HE1  HIS   3           HE1      HIS   3  -4.748  -4.471  -1.683
   21    H    TRP   4           H        TRP   4  -0.488  -9.782  -2.328
   22    HA   TRP   4           HA       TRP   4   2.184 -10.250  -3.559
   23    HB2  TRP   4           HB2      TRP   4   0.650 -11.892  -1.499
   24    HB3  TRP   4           HB3      TRP   4   2.006 -12.517  -2.428
   25    HD1  TRP   4           HD1      TRP   4   1.287  -9.779   0.193
   26    HE1  TRP   4           HE1      TRP   4   3.373  -9.328   1.565
   27    HE3  TRP   4           HE3      TRP   4   4.527 -12.884  -2.296
   28    HZ2  TRP   4           HZ2      TRP   4   6.114 -10.336   1.684
   29    HZ3  TRP   4           HZ3      TRP   4   6.859 -13.123  -1.511
   30    HH2  TRP   4           HH2      TRP   4   7.670 -11.853   0.462
   31    H    ILE   5           H        ILE   5   1.965 -11.396  -5.481
   32    HA   ILE   5           HA       ILE   5  -0.783 -12.310  -6.199
   33    HB   ILE   5           HB       ILE   5   1.067 -10.682  -7.966
   34   HG12  ILE   5          HG12      ILE   5   0.101  -9.238  -6.175
   35   HG13  ILE   5          HG13      ILE   5  -0.446  -8.836  -7.798
   36   HG21  ILE   5          HG21      ILE   5  -1.748 -11.790  -8.336
   37   HG22  ILE   5          HG22      ILE   5  -1.011 -10.581  -9.407
   38   HG23  ILE   5          HG23      ILE   5  -0.302 -12.199  -9.273
   39   HD11  ILE   5          HD11      ILE   5  -2.099 -10.486  -5.888
   40   HD12  ILE   5          HD12      ILE   5  -2.205  -8.718  -6.021
   41   HD13  ILE   5          HD13      ILE   5  -2.622  -9.736  -7.406
   42    H    ASP   6           H        ASP   6  -0.632 -14.374  -6.381
   43    HA   ASP   6           HA       ASP   6   1.744 -15.840  -7.273
   44    HB2  ASP   6           HB2      ASP   6   0.242 -16.875  -5.674
   45    HB3  ASP   6           HB3      ASP   6  -1.152 -16.569  -6.680
   46    H    VAL   7           H        VAL   7   2.276 -15.627  -9.402
   47    HA   VAL   7           HA       VAL   7   0.113 -15.386 -11.431
   48    HB   VAL   7           HB       VAL   7   1.819 -14.555 -12.949
   49   HG11  VAL   7          HG11      VAL   7   1.859 -13.015 -10.322
   50   HG12  VAL   7          HG12      VAL   7   2.188 -12.372 -11.942
   51   HG13  VAL   7          HG13      VAL   7   0.568 -12.962 -11.539
   52   HG21  VAL   7          HG21      VAL   7   4.066 -14.079 -12.326
   53   HG22  VAL   7          HG22      VAL   7   3.796 -14.519 -10.638
   54   HG23  VAL   7          HG23      VAL   7   3.800 -15.765 -11.913
   55    H    ARG   8           H        ARG   8   1.544 -17.768  -9.965
   56    HA   ARG   8           HA       ARG   8   2.598 -19.559 -11.970
   57    HB2  ARG   8           HB2      ARG   8   2.861 -19.425  -9.382
   58    HB3  ARG   8           HB3      ARG   8   1.218 -20.075  -9.324
   59    HG2  ARG   8           HG2      ARG   8   1.934 -22.199 -10.153
   60    HG3  ARG   8           HG3      ARG   8   3.553 -21.581 -10.533
   61    HD2  ARG   8           HD2      ARG   8   3.116 -22.964  -8.312
   62    HD3  ARG   8           HD3      ARG   8   4.234 -21.612  -8.317
   63    HE   ARG   8           HE       ARG   8   2.084 -20.271  -7.590
   64   HH11  ARG   8          HH12      ARG   8   3.069 -23.443  -6.203
   65   HH12  ARG   8          HH11      ARG   8   2.130 -23.125  -4.764
   66   HH21  ARG   8          HH21      ARG   8   1.177 -19.890  -5.773
   67   HH22  ARG   8          HH22      ARG   8   1.109 -21.101  -4.459
   68    H    VAL   9           H        VAL   9   1.378 -21.749 -12.288
   69    HA   VAL   9           HA       VAL   9  -1.302 -21.304 -13.208
   70    HB   VAL   9           HB       VAL   9  -1.363 -23.796 -13.473
   71   HG11  VAL   9          HG11      VAL   9  -0.542 -22.302 -15.266
   72   HG12  VAL   9          HG12      VAL   9   1.116 -22.458 -14.647
   73   HG13  VAL   9          HG13      VAL   9   0.266 -23.875 -15.290
   74   HG21  VAL   9          HG21      VAL   9   0.152 -24.475 -11.621
   75   HG22  VAL   9          HG22      VAL   9   0.655 -25.136 -13.178
   76   HG23  VAL   9          HG23      VAL   9   1.531 -23.761 -12.486
   77    HA   PRO  10           HA       PRO  10  -3.314 -21.432  -9.364
   78    HB2  PRO  10           HB2      PRO  10  -5.878 -22.159  -9.984
   79    HB3  PRO  10           HB3      PRO  10  -5.137 -20.607 -10.504
   80    HG2  PRO  10           HG2      PRO  10  -5.358 -23.163 -12.111
   81    HG3  PRO  10           HG3      PRO  10  -5.834 -21.501 -12.596
   82    HD2  PRO  10           HD2      PRO  10  -3.428 -22.527 -13.297
   83    HD3  PRO  10           HD3      PRO  10  -3.577 -20.815 -12.798
   84    H    GLU  11           H        GLU  11  -3.174 -24.432 -11.189
   85    HA   GLU  11           HA       GLU  11  -4.260 -26.232  -9.291
   86    HB2  GLU  11           HB2      GLU  11  -2.013 -26.609 -11.315
   87    HB3  GLU  11           HB3      GLU  11  -2.813 -27.917 -10.432
   88    HG2  GLU  11           HG2      GLU  11  -5.001 -27.230 -11.425
   89    HG3  GLU  11           HG3      GLU  11  -4.171 -25.992 -12.369
   90    H    GLN  12           H        GLN  12  -1.114 -24.558  -9.328
   91    HA   GLN  12           HA       GLN  12  -0.112 -26.266  -7.118
   92    HB2  GLN  12           HB2      GLN  12   1.131 -23.985  -8.687
   93    HB3  GLN  12           HB3      GLN  12   1.921 -24.869  -7.365
   94    HG2  GLN  12           HG2      GLN  12   1.744 -26.981  -8.639
   95    HG3  GLN  12           HG3      GLN  12   0.955 -26.125  -9.963
   96   HE21  GLN  12          HE22      GLN  12   2.561 -26.446 -11.569
   97   HE22  GLN  12          HE21      GLN  12   4.174 -25.798 -11.431
   98    H    TYR  13           H        TYR  13  -1.503 -23.023  -7.656
   99    HA   TYR  13           HA       TYR  13  -0.947 -21.887  -5.107
  100    HB2  TYR  13           HB2      TYR  13  -1.943 -20.708  -7.064
  101    HB3  TYR  13           HB3      TYR  13  -3.428 -21.615  -6.852
  102    HD1  TYR  13           HD1      TYR  13  -1.254 -19.004  -5.380
  103    HD2  TYR  13           HD2      TYR  13  -5.063 -21.004  -5.148
  104    HE1  TYR  13           HE1      TYR  13  -2.133 -17.140  -4.006
  105    HE2  TYR  13           HE2      TYR  13  -5.937 -19.180  -3.725
  106    HH   TYR  13           HH       TYR  13  -5.489 -17.111  -2.731
  107    H    GLN  14           H        GLN  14  -3.509 -24.112  -6.200
  108    HA   GLN  14           HA       GLN  14  -4.853 -24.328  -3.678
  109    HB2  GLN  14           HB2      GLN  14  -4.754 -26.061  -6.181
  110    HB3  GLN  14           HB3      GLN  14  -5.832 -26.403  -4.824
  111    HG2  GLN  14           HG2      GLN  14  -7.035 -24.352  -5.089
  112    HG3  GLN  14           HG3      GLN  14  -5.855 -23.697  -6.219
  113   HE21  GLN  14          HE22      GLN  14  -5.752 -24.488  -8.371
  114   HE22  GLN  14          HE21      GLN  14  -7.096 -25.371  -9.091
  115    H    GLN  15           H        GLN  15  -1.697 -25.233  -4.204
  116    HA   GLN  15           HA       GLN  15  -1.887 -27.526  -2.309
  117    HB2  GLN  15           HB2      GLN  15   0.099 -27.079  -4.568
  118    HB3  GLN  15           HB3      GLN  15   0.221 -28.341  -3.339
  119    HG2  GLN  15           HG2      GLN  15  -1.887 -29.349  -4.086
  120    HG3  GLN  15           HG3      GLN  15  -2.140 -28.052  -5.251
  121   HE21  GLN  15          HE22      GLN  15  -1.424 -28.391  -7.312
  122   HE22  GLN  15          HE21      GLN  15  -0.258 -29.621  -7.783
  123    H    GLU  16           H        GLU  16  -0.077 -24.579  -3.264
  124    HA   GLU  16           HA       GLU  16   0.430 -24.070  -0.451
  125    HB2  GLU  16           HB2      GLU  16   2.368 -25.560  -1.237
  126    HB3  GLU  16           HB3      GLU  16   2.837 -24.255  -2.336
  127    HG2  GLU  16           HG2      GLU  16   3.226 -22.768  -0.420
  128    HG3  GLU  16           HG3      GLU  16   2.623 -23.979   0.691
  129    H    HIS  17           H        HIS  17   0.204 -21.835  -0.188
  130    HA   HIS  17           HA       HIS  17   1.312 -20.049  -2.220
  131    HB2  HIS  17           HB2      HIS  17  -0.739 -18.728  -2.432
  132    HB3  HIS  17           HB3      HIS  17  -0.913 -20.343  -3.097
  133    HD1  HIS  17           HD1      HIS  17  -2.720 -21.924  -1.937
  134    HD2  HIS  17           HD2      HIS  17  -2.394 -17.998  -0.484
  135    HE1  HIS  17           HE1      HIS  17  -4.806 -21.505  -0.527
  136    H    VAL  18           H        VAL  18   1.500 -17.842  -1.401
  137    HA   VAL  18           HA       VAL  18   2.247 -17.733   1.375
  138    HB   VAL  18           HB       VAL  18   1.817 -15.495  -0.659
  139   HG11  VAL  18          HG11      VAL  18   3.223 -15.483   2.043
  140   HG12  VAL  18          HG12      VAL  18   3.349 -14.182   0.834
  141   HG13  VAL  18          HG13      VAL  18   1.793 -14.540   1.579
  142   HG21  VAL  18          HG21      VAL  18   3.553 -16.991  -1.442
  143   HG22  VAL  18          HG22      VAL  18   4.301 -15.517  -0.849
  144   HG23  VAL  18          HG23      VAL  18   4.345 -16.988   0.152
  145    H    GLN  19           H        GLN  19   1.087 -17.032   3.116
  146    HA   GLN  19           HA       GLN  19  -1.747 -17.091   3.085
  147    HB2  GLN  19           HB2      GLN  19  -0.271 -17.560   5.038
  148    HB3  GLN  19           HB3      GLN  19   0.170 -15.850   5.115
  149    HG2  GLN  19           HG2      GLN  19  -2.191 -15.260   5.601
  150    HG3  GLN  19           HG3      GLN  19  -2.658 -16.957   5.442
  151   HE21  GLN  19          HE22      GLN  19  -0.701 -14.668   7.419
  152   HE22  GLN  19          HE21      GLN  19  -0.680 -15.663   8.851
  153    H    GLY  20           H        GLY  20  -3.218 -15.574   2.497
  154    HA2  GLY  20           HA2      GLY  20  -4.228 -13.523   2.329
  155    HA3  GLY  20           HA3      GLY  20  -2.764 -12.735   2.924
  156    H    ALA  21           H        ALA  21  -1.936 -14.748   0.279
  157    HA   ALA  21           HA       ALA  21  -1.554 -12.522  -1.545
  158    HB1  ALA  21           HB1      ALA  21  -0.732 -14.289  -3.059
  159    HB2  ALA  21           HB2      ALA  21  -0.037 -14.470  -1.439
  160    HB3  ALA  21           HB3      ALA  21  -1.370 -15.536  -1.962
  161    H    ILE  22           H        ILE  22  -2.263 -13.017  -3.934
  162    HA   ILE  22           HA       ILE  22  -5.053 -14.028  -4.096
  163    HB   ILE  22           HB       ILE  22  -4.183 -12.003  -6.116
  164   HG12  ILE  22          HG12      ILE  22  -4.897 -11.103  -3.296
  165   HG13  ILE  22          HG13      ILE  22  -3.413 -10.764  -4.197
  166   HG21  ILE  22          HG21      ILE  22  -6.822 -12.403  -4.654
  167   HG22  ILE  22          HG22      ILE  22  -6.551 -11.472  -6.145
  168   HG23  ILE  22          HG23      ILE  22  -6.360 -13.218  -6.165
  169   HD11  ILE  22          HD11      ILE  22  -4.728  -8.780  -4.216
  170   HD12  ILE  22          HD12      ILE  22  -4.781  -9.452  -5.857
  171   HD13  ILE  22          HD13      ILE  22  -6.175  -9.638  -4.764
  172    H    ASN  23           H        ASN  23  -5.382 -15.349  -5.924
  173    HA   ASN  23           HA       ASN  23  -2.973 -16.102  -7.525
  174    HB2  ASN  23           HB2      ASN  23  -4.105 -18.062  -6.751
  175    HB3  ASN  23           HB3      ASN  23  -5.689 -17.416  -7.190
  176   HD21  ASN  23          HD22      ASN  23  -2.458 -18.357  -8.725
  177   HD22  ASN  23          HD21      ASN  23  -3.205 -18.795 -10.229
  178    H    ILE  24           H        ILE  24  -2.697 -15.006  -9.325
  179    HA   ILE  24           HA       ILE  24  -4.989 -14.468 -11.049
  180    HB   ILE  24           HB       ILE  24  -3.003 -12.229 -10.630
  181   HG12  ILE  24          HG12      ILE  24  -5.637 -12.444  -9.179
  182   HG13  ILE  24          HG13      ILE  24  -4.006 -12.356  -8.491
  183   HG21  ILE  24          HG21      ILE  24  -4.621 -10.948 -11.878
  184   HG22  ILE  24          HG22      ILE  24  -4.265 -12.451 -12.747
  185   HG23  ILE  24          HG23      ILE  24  -5.771 -12.296 -11.839
  186   HD11  ILE  24          HD11      ILE  24  -3.768 -10.060  -9.477
  187   HD12  ILE  24          HD12      ILE  24  -5.499 -10.130  -9.894
  188   HD13  ILE  24          HD13      ILE  24  -4.989 -10.229  -8.198
  189    HA   PRO  25           HA       PRO  25  -1.296 -16.696 -12.629
  190    HB2  PRO  25           HB2      PRO  25  -2.445 -17.908 -14.821
  191    HB3  PRO  25           HB3      PRO  25  -2.613 -18.516 -13.143
  192    HG2  PRO  25           HG2      PRO  25  -4.562 -16.795 -14.680
  193    HG3  PRO  25           HG3      PRO  25  -4.888 -18.274 -13.716
  194    HD2  PRO  25           HD2      PRO  25  -5.264 -15.793 -12.682
  195    HD3  PRO  25           HD3      PRO  25  -4.604 -17.112 -11.673
  196    H    LEU  26           H        LEU  26   0.119 -16.288 -14.463
  197    HA   LEU  26           HA       LEU  26   0.345 -13.651 -15.020
  198    HB2  LEU  26           HB2      LEU  26   2.099 -15.355 -15.223
  199    HB3  LEU  26           HB3      LEU  26   1.380 -15.961 -16.712
  200    HG   LEU  26           HG       LEU  26   1.975 -13.947 -17.918
  201   HD11  LEU  26          HD11      LEU  26   2.741 -12.851 -15.190
  202   HD12  LEU  26          HD12      LEU  26   3.383 -12.165 -16.700
  203   HD13  LEU  26          HD13      LEU  26   1.653 -12.140 -16.400
  204   HD21  LEU  26          HD21      LEU  26   3.732 -15.692 -17.548
  205   HD22  LEU  26          HD22      LEU  26   4.418 -14.074 -17.759
  206   HD23  LEU  26          HD23      LEU  26   4.314 -14.784 -16.135
  207    H    LYS  27           H        LYS  27  -1.326 -15.927 -17.207
  208    HA   LYS  27           HA       LYS  27  -1.775 -14.110 -19.326
  209    HB2  LYS  27           HB2      LYS  27  -3.472 -15.666 -20.092
  210    HB3  LYS  27           HB3      LYS  27  -2.016 -16.520 -19.585
  211    HG2  LYS  27           HG2      LYS  27  -3.149 -17.048 -17.385
  212    HG3  LYS  27           HG3      LYS  27  -4.628 -16.310 -18.008
  213    HD2  LYS  27           HD2      LYS  27  -3.197 -18.707 -19.232
  214    HD3  LYS  27           HD3      LYS  27  -4.615 -18.780 -18.175
  215    HE2  LYS  27           HE2      LYS  27  -5.915 -17.443 -19.832
  216    HE3  LYS  27           HE3      LYS  27  -4.511 -17.419 -20.907
  217    HZ1  LYS  27           HZ1      LYS  27  -4.655 -19.838 -21.041
  218    HZ2  LYS  27           HZ2      LYS  27  -5.957 -19.859 -20.051
  219    HZ3  LYS  27           HZ3      LYS  27  -6.057 -19.161 -21.517
  220    H    GLU  28           H        GLU  28  -3.505 -14.497 -16.248
  221    HA   GLU  28           HA       GLU  28  -5.693 -12.705 -17.100
  222    HB2  GLU  28           HB2      GLU  28  -5.090 -14.352 -14.639
  223    HB3  GLU  28           HB3      GLU  28  -6.082 -12.902 -14.451
  224    HG2  GLU  28           HG2      GLU  28  -7.732 -13.610 -15.942
  225    HG3  GLU  28           HG3      GLU  28  -6.742 -14.944 -16.577
  226    H    VAL  29           H        VAL  29  -2.808 -12.690 -14.966
  227    HA   VAL  29           HA       VAL  29  -3.434 -10.371 -13.625
  228    HB   VAL  29           HB       VAL  29  -1.479 -12.125 -13.412
  229   HG11  VAL  29          HG11      VAL  29   0.737 -11.311 -13.791
  230   HG12  VAL  29          HG12      VAL  29  -0.137 -11.269 -15.327
  231   HG13  VAL  29          HG13      VAL  29   0.140  -9.769 -14.429
  232   HG21  VAL  29          HG21      VAL  29  -2.223 -10.483 -11.657
  233   HG22  VAL  29          HG22      VAL  29  -0.483 -10.790 -11.658
  234   HG23  VAL  29          HG23      VAL  29  -1.110  -9.294 -12.365
  235    H    LYS  30           H        LYS  30  -1.909 -10.571 -16.755
  236    HA   LYS  30           HA       LYS  30  -1.185  -7.866 -17.036
  237    HB2  LYS  30           HB2      LYS  30  -0.631 -10.020 -18.443
  238    HB3  LYS  30           HB3      LYS  30  -2.148  -9.721 -19.282
  239    HG2  LYS  30           HG2      LYS  30  -1.256  -7.414 -19.907
  240    HG3  LYS  30           HG3      LYS  30   0.273  -7.855 -19.155
  241    HD2  LYS  30           HD2      LYS  30  -1.076  -9.218 -21.534
  242    HD3  LYS  30           HD3      LYS  30   0.297  -8.110 -21.615
  243    HE2  LYS  30           HE2      LYS  30   1.690  -9.720 -20.340
  244    HE3  LYS  30           HE3      LYS  30   0.320 -10.835 -20.237
  245    HZ1  LYS  30           HZ1      LYS  30   1.801 -11.431 -22.047
  246    HZ2  LYS  30           HZ2      LYS  30   0.357 -10.999 -22.660
  247    HZ3  LYS  30           HZ3      LYS  30   1.625  -9.975 -22.757
  248    H    GLU  31           H        GLU  31  -4.410  -9.087 -16.947
  249    HA   GLU  31           HA       GLU  31  -5.355  -6.376 -17.752
  250    HB2  GLU  31           HB2      GLU  31  -6.020  -8.050 -19.413
  251    HB3  GLU  31           HB3      GLU  31  -6.701  -9.081 -18.145
  252    HG2  GLU  31           HG2      GLU  31  -8.367  -7.376 -17.598
  253    HG3  GLU  31           HG3      GLU  31  -7.637  -6.246 -18.744
  254    H    ARG  32           H        ARG  32  -5.899  -9.258 -15.708
  255    HA   ARG  32           HA       ARG  32  -7.954  -8.087 -14.193
  256    HB2  ARG  32           HB2      ARG  32  -7.619 -10.501 -14.498
  257    HB3  ARG  32           HB3      ARG  32  -6.223 -10.458 -13.419
  258    HG2  ARG  32           HG2      ARG  32  -7.545 -10.114 -11.510
  259    HG3  ARG  32           HG3      ARG  32  -8.791  -9.255 -12.415
  260    HD2  ARG  32           HD2      ARG  32  -9.895 -11.203 -11.831
  261    HD3  ARG  32           HD3      ARG  32  -9.412 -11.481 -13.503
  262    HE   ARG  32           HE       ARG  32  -8.170 -13.269 -12.862
  263   HH11  ARG  32          HH21      ARG  32  -8.822 -11.443  -9.858
  264   HH12  ARG  32          HH22      ARG  32  -8.238 -12.718  -8.852
  265   HH21  ARG  32          HH11      ARG  32  -7.490 -14.824 -11.635
  266   HH22  ARG  32          HH12      ARG  32  -7.231 -14.662  -9.895
  267    H    ILE  33           H        ILE  33  -4.438  -7.773 -13.788
  268    HA   ILE  33           HA       ILE  33  -4.544  -6.999 -11.045
  269    HB   ILE  33           HB       ILE  33  -2.433  -7.479 -12.397
  270   HG12  ILE  33          HG12      ILE  33  -1.059  -5.727 -11.125
  271   HG13  ILE  33          HG13      ILE  33  -2.577  -5.085 -10.521
  272   HG21  ILE  33          HG21      ILE  33  -2.878  -5.863 -14.280
  273   HG22  ILE  33          HG22      ILE  33  -2.615  -4.537 -13.138
  274   HG23  ILE  33          HG23      ILE  33  -1.306  -5.650 -13.499
  275   HD11  ILE  33          HD11      ILE  33  -1.527  -6.658  -8.938
  276   HD12  ILE  33          HD12      ILE  33  -3.077  -7.313  -9.490
  277   HD13  ILE  33          HD13      ILE  33  -1.555  -7.944 -10.156
  278    H    ALA  34           H        ALA  34  -5.247  -5.207 -14.057
  279    HA   ALA  34           HA       ALA  34  -5.415  -2.656 -12.864
  280    HB1  ALA  34           HB1      ALA  34  -7.100  -3.710 -15.176
  281    HB2  ALA  34           HB2      ALA  34  -6.728  -2.014 -14.823
  282    HB3  ALA  34           HB3      ALA  34  -5.428  -3.111 -15.331
  283    H    THR  35           H        THR  35  -7.580  -5.337 -12.414
  284    HA   THR  35           HA       THR  35  -9.695  -3.558 -11.304
  285    HB   THR  35           HB       THR  35  -9.720  -6.557 -11.838
  286    HG1  THR  35           HG1      THR  35  -9.524  -5.279 -13.742
  287   HG21  THR  35          HG21      THR  35 -12.191  -6.295 -11.747
  288   HG22  THR  35          HG22      THR  35 -11.433  -5.900 -10.200
  289   HG23  THR  35          HG23      THR  35 -11.989  -4.593 -11.268
  290    H    ALA  36           H        ALA  36  -7.305  -6.057 -10.465
  291    HA   ALA  36           HA       ALA  36  -8.296  -6.399  -7.755
  292    HB1  ALA  36           HB1      ALA  36  -5.667  -7.269  -9.035
  293    HB2  ALA  36           HB2      ALA  36  -6.321  -7.842  -7.489
  294    HB3  ALA  36           HB3      ALA  36  -7.172  -8.217  -9.000
  295    H    VAL  37           H        VAL  37  -5.776  -4.456  -9.284
  296    HA   VAL  37           HA       VAL  37  -5.139  -3.054  -6.759
  297    HB   VAL  37           HB       VAL  37  -3.028  -4.134  -8.665
  298   HG11  VAL  37          HG11      VAL  37  -1.470  -3.506  -6.854
  299   HG12  VAL  37          HG12      VAL  37  -2.348  -2.119  -7.480
  300   HG13  VAL  37          HG13      VAL  37  -2.837  -2.825  -5.931
  301   HG21  VAL  37          HG21      VAL  37  -2.370  -5.699  -6.842
  302   HG22  VAL  37          HG22      VAL  37  -3.895  -5.309  -6.008
  303   HG23  VAL  37          HG23      VAL  37  -3.905  -6.095  -7.602
  304    HA   PRO  38           HA       PRO  38  -5.971  -0.498 -10.576
  305    HB2  PRO  38           HB2      PRO  38  -7.644   1.382  -9.443
  306    HB3  PRO  38           HB3      PRO  38  -8.193  -0.193 -10.089
  307    HG2  PRO  38           HG2      PRO  38  -7.578   0.530  -7.212
  308    HG3  PRO  38           HG3      PRO  38  -9.000  -0.352  -7.855
  309    HD2  PRO  38           HD2      PRO  38  -6.866  -1.662  -6.775
  310    HD3  PRO  38           HD3      PRO  38  -7.734  -2.325  -8.192
  311    H    ASP  39           H        ASP  39  -4.970   0.380  -7.266
  312    HA   ASP  39           HA       ASP  39  -3.688   2.887  -8.100
  313    HB2  ASP  39           HB2      ASP  39  -4.529   2.767  -5.840
  314    HB3  ASP  39           HB3      ASP  39  -3.589   1.306  -5.512
  315    H    LYS  40           H        LYS  40  -2.068   2.573  -9.544
  316    HA   LYS  40           HA       LYS  40  -0.436   0.279  -9.740
  317    HB2  LYS  40           HB2      LYS  40  -0.037   3.137 -10.724
  318    HB3  LYS  40           HB3      LYS  40   1.026   1.803 -11.143
  319    HG2  LYS  40           HG2      LYS  40  -1.079   0.536 -11.934
  320    HG3  LYS  40           HG3      LYS  40  -1.937   2.076 -11.793
  321    HD2  LYS  40           HD2      LYS  40  -0.307   3.076 -13.422
  322    HD3  LYS  40           HD3      LYS  40   0.465   1.478 -13.569
  323    HE2  LYS  40           HE2      LYS  40  -1.730   0.512 -14.286
  324    HE3  LYS  40           HE3      LYS  40  -2.440   2.130 -14.224
  325    HZ1  LYS  40           HZ1      LYS  40  -0.262   1.247 -16.039
  326    HZ2  LYS  40           HZ2      LYS  40  -1.798   1.599 -16.460
  327    HZ3  LYS  40           HZ3      LYS  40  -0.819   2.794 -15.943
  328    H    ASN  41           H        ASN  41  -0.189   2.792  -7.355
  329    HA   ASN  41           HA       ASN  41   2.695   2.411  -6.939
  330    HB2  ASN  41           HB2      ASN  41   1.544   4.631  -6.627
  331    HB3  ASN  41           HB3      ASN  41   0.651   3.925  -5.273
  332   HD21  ASN  41          HD22      ASN  41   1.552   4.357  -3.283
  333   HD22  ASN  41          HD21      ASN  41   3.248   4.640  -2.996
  334    H    ASP  42           H        ASP  42  -0.149   0.675  -5.962
  335    HA   ASP  42           HA       ASP  42   0.718  -0.080  -3.290
  336    HB2  ASP  42           HB2      ASP  42  -1.492  -0.732  -5.036
  337    HB3  ASP  42           HB3      ASP  42  -0.692  -2.229  -4.552
  338    H    THR  43           H        THR  43   2.233  -1.744  -2.720
  339    HA   THR  43           HA       THR  43   4.055  -2.483  -4.773
  340    HB   THR  43           HB       THR  43   3.820  -3.771  -2.040
  341    HG1  THR  43           HG1      THR  43   4.069  -1.739  -1.561
  342   HG21  THR  43          HG21      THR  43   6.236  -4.107  -2.300
  343   HG22  THR  43          HG22      THR  43   5.288  -4.986  -3.506
  344   HG23  THR  43          HG23      THR  43   6.143  -3.498  -3.972
  345    H    VAL  44           H        VAL  44   4.129  -4.267  -6.107
  346    HA   VAL  44           HA       VAL  44   1.982  -6.319  -5.743
  347    HB   VAL  44           HB       VAL  44   3.177  -5.527  -8.426
  348   HG11  VAL  44          HG11      VAL  44   2.004  -7.746  -8.167
  349   HG12  VAL  44          HG12      VAL  44   0.561  -6.862  -7.624
  350   HG13  VAL  44          HG13      VAL  44   1.174  -6.647  -9.279
  351   HG21  VAL  44          HG21      VAL  44   0.727  -4.358  -7.058
  352   HG22  VAL  44          HG22      VAL  44   2.133  -3.492  -7.720
  353   HG23  VAL  44          HG23      VAL  44   1.007  -4.297  -8.813
  354    H    LYS  45           H        LYS  45   3.192  -7.728  -4.513
  355    HA   LYS  45           HA       LYS  45   5.895  -8.486  -5.339
  356    HB2  LYS  45           HB2      LYS  45   4.177  -9.577  -3.063
  357    HB3  LYS  45           HB3      LYS  45   5.896  -9.870  -3.342
  358    HG2  LYS  45           HG2      LYS  45   6.169  -7.311  -3.293
  359    HG3  LYS  45           HG3      LYS  45   4.515  -7.262  -2.651
  360    HD2  LYS  45           HD2      LYS  45   5.150  -8.315  -0.634
  361    HD3  LYS  45           HD3      LYS  45   6.687  -8.910  -1.314
  362    HE2  LYS  45           HE2      LYS  45   7.526  -6.618  -1.523
  363    HE3  LYS  45           HE3      LYS  45   6.004  -5.962  -0.909
  364    HZ1  LYS  45           HZ1      LYS  45   7.730  -7.754   0.691
  365    HZ2  LYS  45           HZ2      LYS  45   7.824  -6.125   0.743
  366    HZ3  LYS  45           HZ3      LYS  45   6.436  -6.844   1.204
  367    H    VAL  46           H        VAL  46   5.596  -9.378  -7.407
  368    HA   VAL  46           HA       VAL  46   3.621 -11.486  -7.814
  369    HB   VAL  46           HB       VAL  46   4.701 -11.709 -10.059
  370   HG11  VAL  46          HG11      VAL  46   3.780  -9.613 -10.930
  371   HG12  VAL  46          HG12      VAL  46   2.729 -10.276  -9.672
  372   HG13  VAL  46          HG13      VAL  46   3.795  -8.898  -9.306
  373   HG21  VAL  46          HG21      VAL  46   6.223  -9.993 -10.880
  374   HG22  VAL  46          HG22      VAL  46   6.294  -9.217  -9.294
  375   HG23  VAL  46          HG23      VAL  46   6.980 -10.841  -9.530
  376    H    TYR  47           H        TYR  47   3.952 -13.715  -7.761
  377    HA   TYR  47           HA       TYR  47   6.710 -14.733  -7.617
  378    HB2  TYR  47           HB2      TYR  47   6.444 -15.964  -5.658
  379    HB3  TYR  47           HB3      TYR  47   6.018 -14.308  -5.264
  380    HD1  TYR  47           HD2      TYR  47   3.632 -13.675  -4.843
  381    HD2  TYR  47           HD1      TYR  47   4.885 -17.770  -5.400
  382    HE1  TYR  47           HE2      TYR  47   1.596 -14.456  -3.673
  383    HE2  TYR  47           HE1      TYR  47   2.841 -18.551  -4.237
  384    HH   TYR  47           HH       TYR  47   0.395 -16.306  -2.921
  385    H    CYS  48           H        CYS  48   6.746 -17.168  -7.739
  386    HA   CYS  48           HA       CYS  48   4.480 -18.505  -8.787
  387    HB2  CYS  48           HB2      CYS  48   5.368 -19.021 -11.017
  388    HB3  CYS  48           HB3      CYS  48   5.236 -17.275 -10.823
  389    HG   CYS  48           HG       CYS  48   7.734 -16.862 -10.139
  390    H    ASN  49           H        ASN  49   6.181 -20.629 -10.030
  391    HA   ASN  49           HA       ASN  49   6.647 -22.079  -7.583
  392    HB2  ASN  49           HB2      ASN  49   5.884 -23.143  -9.695
  393    HB3  ASN  49           HB3      ASN  49   7.433 -22.778 -10.451
  394   HD21  ASN  49          HD22      ASN  49   5.701 -25.098  -8.583
  395   HD22  ASN  49          HD21      ASN  49   7.071 -26.080  -8.111
  396    H    ALA  50           H        ALA  50   8.899 -20.812 -10.099
  397    HA   ALA  50           HA       ALA  50  11.161 -21.180  -8.175
  398    HB1  ALA  50           HB1      ALA  50  10.997 -23.021  -9.813
  399    HB2  ALA  50           HB2      ALA  50  11.088 -21.846 -11.146
  400    HB3  ALA  50           HB3      ALA  50  12.467 -22.064 -10.048
  401    H    GLY  51           H        GLY  51   9.561 -18.798  -9.940
  402    HA2  GLY  51           HA2      GLY  51  10.294 -16.574  -9.541
  403    HA3  GLY  51           HA3      GLY  51  11.968 -17.057  -9.777
  404    H    ARG  52           H        ARG  52  10.998 -18.663 -12.311
  405    HA   ARG  52           HA       ARG  52  11.744 -16.564 -14.080
  406    HB2  ARG  52           HB2      ARG  52  11.464 -18.135 -15.893
  407    HB3  ARG  52           HB3      ARG  52  12.328 -18.856 -14.543
  408    HG2  ARG  52           HG2      ARG  52  10.210 -20.033 -13.855
  409    HG3  ARG  52           HG3      ARG  52   9.416 -19.399 -15.304
  410    HD2  ARG  52           HD2      ARG  52  11.906 -21.150 -15.294
  411    HD3  ARG  52           HD3      ARG  52  10.253 -21.733 -15.549
  412    HE   ARG  52           HE       ARG  52  10.566 -19.738 -17.438
  413   HH11  ARG  52          HH11      ARG  52  12.212 -22.800 -16.722
  414   HH12  ARG  52          HH12      ARG  52  12.694 -23.088 -18.352
  415   HH21  ARG  52          HH21      ARG  52  11.219 -20.112 -19.612
  416   HH22  ARG  52          HH22      ARG  52  12.110 -21.525 -20.029
  417    H    GLN  53           H        GLN  53   8.487 -17.996 -13.506
  418    HA   GLN  53           HA       GLN  53   7.326 -16.409 -15.615
  419    HB2  GLN  53           HB2      GLN  53   6.516 -18.643 -14.724
  420    HB3  GLN  53           HB3      GLN  53   5.823 -17.769 -13.346
  421    HG2  GLN  53           HG2      GLN  53   4.256 -16.645 -14.717
  422    HG3  GLN  53           HG3      GLN  53   5.157 -17.028 -16.196
  423   HE21  GLN  53          HE22      GLN  53   2.461 -18.050 -14.273
  424   HE22  GLN  53          HE21      GLN  53   2.267 -19.596 -15.061
  425    H    SER  54           H        SER  54   7.746 -15.936 -12.071
  426    HA   SER  54           HA       SER  54   6.178 -13.505 -12.029
  427    HB2  SER  54           HB2      SER  54   7.356 -13.227  -9.800
  428    HB3  SER  54           HB3      SER  54   6.345 -14.663 -10.016
  429    HG   SER  54           HG       SER  54   8.442 -15.120  -9.060
  430    H    GLY  55           H        GLY  55   9.584 -14.314 -12.748
  431    HA2  GLY  55           HA2      GLY  55  10.640 -11.681 -12.726
  432    HA3  GLY  55           HA3      GLY  55  11.206 -13.043 -13.722
  433    H    GLN  56           H        GLN  56   9.187 -13.622 -15.401
  434    HA   GLN  56           HA       GLN  56   9.061 -11.458 -17.271
  435    HB2  GLN  56           HB2      GLN  56   7.444 -14.020 -16.965
  436    HB3  GLN  56           HB3      GLN  56   7.207 -12.893 -18.306
  437    HG2  GLN  56           HG2      GLN  56   9.866 -14.252 -17.661
  438    HG3  GLN  56           HG3      GLN  56   8.709 -14.819 -18.857
  439   HE21  GLN  56          HE22      GLN  56  11.121 -12.287 -18.146
  440   HE22  GLN  56          HE21      GLN  56  11.119 -11.584 -19.740
  441    H    ALA  57           H        ALA  57   6.639 -12.555 -14.806
  442    HA   ALA  57           HA       ALA  57   4.696 -10.653 -15.452
  443    HB1  ALA  57           HB1      ALA  57   5.334 -11.547 -12.623
  444    HB2  ALA  57           HB2      ALA  57   3.786 -10.982 -13.267
  445    HB3  ALA  57           HB3      ALA  57   4.454 -12.534 -13.815
  446    H    LYS  58           H        LYS  58   7.600 -10.194 -13.325
  447    HA   LYS  58           HA       LYS  58   6.905  -7.631 -12.425
  448    HB2  LYS  58           HB2      LYS  58   8.732  -8.637 -11.364
  449    HB3  LYS  58           HB3      LYS  58   9.647  -8.827 -12.876
  450    HG2  LYS  58           HG2      LYS  58   9.955  -6.465 -13.111
  451    HG3  LYS  58           HG3      LYS  58   8.796  -6.103 -11.838
  452    HD2  LYS  58           HD2      LYS  58  10.258  -6.657 -10.124
  453    HD3  LYS  58           HD3      LYS  58  11.347  -7.594 -11.181
  454    HE2  LYS  58           HE2      LYS  58  10.883  -4.595 -11.476
  455    HE3  LYS  58           HE3      LYS  58  12.147  -5.267 -10.444
  456    HZ1  LYS  58           HZ1      LYS  58  12.968  -4.695 -12.652
  457    HZ2  LYS  58           HZ2      LYS  58  13.149  -6.286 -12.372
  458    HZ3  LYS  58           HZ3      LYS  58  11.970  -5.765 -13.383
  459    H    GLU  59           H        GLU  59   8.589  -8.658 -15.444
  460    HA   GLU  59           HA       GLU  59   9.119  -5.922 -16.260
  461    HB2  GLU  59           HB2      GLU  59   9.297  -8.556 -17.781
  462    HB3  GLU  59           HB3      GLU  59   9.871  -6.999 -18.382
  463    HG2  GLU  59           HG2      GLU  59  10.920  -8.473 -15.927
  464    HG3  GLU  59           HG3      GLU  59  11.721  -8.334 -17.482
  465    H    ILE  60           H        ILE  60   6.683  -8.383 -17.093
  466    HA   ILE  60           HA       ILE  60   5.302  -6.927 -19.094
  467    HB   ILE  60           HB       ILE  60   4.631  -9.131 -17.131
  468   HG12  ILE  60          HG12      ILE  60   4.666  -9.092 -20.185
  469   HG13  ILE  60          HG13      ILE  60   6.095  -9.437 -19.221
  470   HG21  ILE  60          HG21      ILE  60   2.445  -9.480 -18.198
  471   HG22  ILE  60          HG22      ILE  60   2.518  -7.957 -17.339
  472   HG23  ILE  60          HG23      ILE  60   2.660  -7.959 -19.114
  473   HD11  ILE  60          HD11      ILE  60   4.974 -11.397 -18.208
  474   HD12  ILE  60          HD12      ILE  60   3.557 -11.117 -19.249
  475   HD13  ILE  60          HD13      ILE  60   5.123 -11.514 -19.968
  476    H    LEU  61           H        LEU  61   4.870  -6.923 -15.488
  477    HA   LEU  61           HA       LEU  61   2.793  -4.926 -15.716
  478    HB2  LEU  61           HB2      LEU  61   4.351  -5.950 -13.332
  479    HB3  LEU  61           HB3      LEU  61   3.040  -4.766 -13.236
  480    HG   LEU  61           HG       LEU  61   2.829  -7.667 -14.127
  481   HD11  LEU  61          HD11      LEU  61   2.900  -7.220 -11.686
  482   HD12  LEU  61          HD12      LEU  61   1.509  -6.127 -11.853
  483   HD13  LEU  61          HD13      LEU  61   1.333  -7.863 -12.199
  484   HD21  LEU  61          HD21      LEU  61   0.754  -5.473 -14.348
  485   HD22  LEU  61          HD22      LEU  61   1.330  -6.577 -15.619
  486   HD23  LEU  61          HD23      LEU  61   0.343  -7.208 -14.309
  487    H    SER  62           H        SER  62   6.308  -4.738 -15.519
  488    HA   SER  62           HA       SER  62   6.426  -1.925 -14.889
  489    HB2  SER  62           HB2      SER  62   8.377  -3.592 -16.534
  490    HB3  SER  62           HB3      SER  62   8.681  -2.014 -15.805
  491    HG   SER  62           HG       SER  62   8.051  -4.423 -14.408
  492    H    GLU  63           H        GLU  63   6.134  -3.776 -18.003
  493    HA   GLU  63           HA       GLU  63   6.020  -1.438 -19.638
  494    HB2  GLU  63           HB2      GLU  63   5.022  -4.282 -20.058
  495    HB3  GLU  63           HB3      GLU  63   4.905  -3.034 -21.291
  496    HG2  GLU  63           HG2      GLU  63   7.525  -3.949 -20.026
  497    HG3  GLU  63           HG3      GLU  63   6.876  -4.548 -21.544
  498    H    MET  64           H        MET  64   3.548  -3.182 -17.769
  499    HA   MET  64           HA       MET  64   1.312  -1.574 -18.706
  500    HB2  MET  64           HB2      MET  64   1.695  -3.190 -16.160
  501    HB3  MET  64           HB3      MET  64   0.204  -2.405 -16.595
  502    HG2  MET  64           HG2      MET  64   1.537  -4.444 -18.409
  503    HG3  MET  64           HG3      MET  64   0.406  -4.890 -17.140
  504    HE1  MET  64           HE1      MET  64  -3.007  -3.634 -18.263
  505    HE2  MET  64           HE2      MET  64  -2.013  -4.447 -17.031
  506    HE3  MET  64           HE3      MET  64  -1.933  -2.682 -17.219
  507    H    GLY  65           H        GLY  65   4.055  -0.648 -16.934
  508    HA2  GLY  65           HA2      GLY  65   4.575   1.382 -16.078
  509    HA3  GLY  65           HA3      GLY  65   2.926   1.941 -16.398
  510    H    TYR  66           H        TYR  66   3.332  -0.975 -14.396
  511    HA   TYR  66           HA       TYR  66   2.181   0.384 -12.091
  512    HB2  TYR  66           HB2      TYR  66   3.161  -2.408 -12.630
  513    HB3  TYR  66           HB3      TYR  66   3.019  -1.843 -10.972
  514    HD1  TYR  66           HD1      TYR  66   0.976  -1.890 -14.150
  515    HD2  TYR  66           HD2      TYR  66   1.000  -2.071  -9.838
  516    HE1  TYR  66           HE1      TYR  66  -1.494  -2.120 -14.146
  517    HE2  TYR  66           HE2      TYR  66  -1.456  -2.355  -9.832
  518    HH   TYR  66           HH       TYR  66  -3.376  -2.226 -11.083
  519    H    THR  67           H        THR  67   3.235   1.502 -10.541
  520    HA   THR  67           HA       THR  67   6.028   2.067 -11.091
  521    HB   THR  67           HB       THR  67   5.488   3.910  -9.374
  522    HG1  THR  67           HG1      THR  67   3.331   4.193  -8.911
  523   HG21  THR  67          HG21      THR  67   3.683   3.717 -11.834
  524   HG22  THR  67          HG22      THR  67   4.182   5.203 -10.994
  525   HG23  THR  67          HG23      THR  67   5.385   4.232 -11.858
  526    H    HIS  68           H        HIS  68   4.475  -0.125  -8.999
  527    HA   HIS  68           HA       HIS  68   6.896  -0.258  -7.313
  528    HB2  HIS  68           HB2      HIS  68   4.591   1.029  -6.478
  529    HB3  HIS  68           HB3      HIS  68   4.343  -0.568  -5.818
  530    HD1  HIS  68           HD1      HIS  68   5.608  -0.873  -3.458
  531    HD2  HIS  68           HD2      HIS  68   7.086   2.213  -5.925
  532    HE1  HIS  68           HE1      HIS  68   7.405   0.307  -2.124
  533    H    VAL  69           H        VAL  69   6.333  -1.954  -9.487
  534    HA   VAL  69           HA       VAL  69   5.323  -4.497  -8.601
  535    HB   VAL  69           HB       VAL  69   6.600  -5.366 -10.478
  536   HG11  VAL  69          HG11      VAL  69   4.418  -4.290 -10.937
  537   HG12  VAL  69          HG12      VAL  69   5.267  -2.765 -11.298
  538   HG13  VAL  69          HG13      VAL  69   5.539  -4.187 -12.309
  539   HG21  VAL  69          HG21      VAL  69   8.674  -4.101 -10.405
  540   HG22  VAL  69          HG22      VAL  69   7.917  -3.903 -11.982
  541   HG23  VAL  69          HG23      VAL  69   7.816  -2.589 -10.802
  542    H    GLU  70           H        GLU  70   6.561  -6.288  -7.715
  543    HA   GLU  70           HA       GLU  70   9.421  -5.822  -7.229
  544    HB2  GLU  70           HB2      GLU  70   8.137  -5.046  -5.157
  545    HB3  GLU  70           HB3      GLU  70   7.564  -6.712  -4.976
  546    HG2  GLU  70           HG2      GLU  70   9.955  -7.474  -4.923
  547    HG3  GLU  70           HG3      GLU  70  10.466  -5.789  -5.057
  548    H    ASN  71           H        ASN  71  10.462  -7.684  -7.847
  549    HA   ASN  71           HA       ASN  71   8.828 -10.081  -8.409
  550    HB2  ASN  71           HB2      ASN  71  10.604  -9.471 -10.034
  551    HB3  ASN  71           HB3      ASN  71  11.831  -9.628  -8.762
  552   HD21  ASN  71          HD22      ASN  71   9.171 -11.380 -10.441
  553   HD22  ASN  71          HD21      ASN  71   9.814 -12.990 -10.122
  554    H    ALA  72           H        ALA  72   8.275 -11.222  -6.582
  555    HA   ALA  72           HA       ALA  72   9.949 -11.066  -4.221
  556    HB1  ALA  72           HB1      ALA  72   8.318 -12.615  -3.247
  557    HB2  ALA  72           HB2      ALA  72   7.504 -11.264  -4.058
  558    HB3  ALA  72           HB3      ALA  72   7.575 -12.856  -4.841
  559    H    GLY  73           H        GLY  73   9.337 -13.561  -6.745
  560    HA2  GLY  73           HA2      GLY  73  11.504 -14.732  -7.373
  561    HA3  GLY  73           HA3      GLY  73  11.620 -15.159  -5.663
  562    H    GLY  74           H        GLY  74  11.448 -17.346  -5.914
  563    HA2  GLY  74           HA2      GLY  74   8.913 -18.467  -6.998
  564    HA3  GLY  74           HA3      GLY  74  10.420 -19.365  -6.776
  565    H    LEU  75           H        LEU  75   7.700 -19.800  -5.614
  566    HA   LEU  75           HA       LEU  75   7.426 -18.841  -3.058
  567    HB2  LEU  75           HB2      LEU  75   5.717 -19.974  -4.501
  568    HB3  LEU  75           HB3      LEU  75   6.446 -21.535  -4.118
  569    HG   LEU  75           HG       LEU  75   5.845 -21.305  -1.773
  570   HD11  LEU  75          HD11      LEU  75   4.324 -19.374  -1.077
  571   HD12  LEU  75          HD12      LEU  75   6.018 -18.934  -1.321
  572   HD13  LEU  75          HD13      LEU  75   4.822 -18.555  -2.572
  573   HD21  LEU  75          HD21      LEU  75   3.364 -21.299  -2.051
  574   HD22  LEU  75          HD22      LEU  75   3.573 -20.663  -3.689
  575   HD23  LEU  75          HD23      LEU  75   4.197 -22.272  -3.272
  576    H    LYS  76           H        LYS  76   9.405 -21.615  -4.002
  577    HA   LYS  76           HA       LYS  76   9.725 -22.709  -1.373
  578    HB2  LYS  76           HB2      LYS  76  10.179 -23.947  -3.471
  579    HB3  LYS  76           HB3      LYS  76  11.473 -22.822  -3.878
  580    HG2  LYS  76           HG2      LYS  76  12.379 -24.901  -3.057
  581    HG3  LYS  76           HG3      LYS  76  12.791 -23.584  -1.959
  582    HD2  LYS  76           HD2      LYS  76  11.020 -24.333  -0.376
  583    HD3  LYS  76           HD3      LYS  76  10.502 -25.561  -1.536
  584    HE2  LYS  76           HE2      LYS  76  11.815 -26.651   0.143
  585    HE3  LYS  76           HE3      LYS  76  12.732 -26.660  -1.363
  586    HZ1  LYS  76           HZ1      LYS  76  13.174 -24.781   0.892
  587    HZ2  LYS  76           HZ2      LYS  76  14.099 -26.074   0.547
  588    HZ3  LYS  76           HZ3      LYS  76  14.056 -24.820  -0.488
  589    H    ASP  77           H        ASP  77  11.462 -20.166  -3.211
  590    HA   ASP  77           HA       ASP  77  13.579 -19.912  -1.210
  591    HB2  ASP  77           HB2      ASP  77  14.019 -19.453  -3.579
  592    HB3  ASP  77           HB3      ASP  77  12.791 -18.185  -3.590
  593    H    ILE  78           H        ILE  78  10.519 -18.298  -2.025
  594    HA   ILE  78           HA       ILE  78  10.847 -15.954  -0.499
  595    HB   ILE  78           HB       ILE  78   8.439 -17.502  -1.485
  596   HG12  ILE  78          HG12      ILE  78   9.586 -14.782  -2.285
  597   HG13  ILE  78          HG13      ILE  78  10.040 -16.290  -3.064
  598   HG21  ILE  78          HG21      ILE  78   6.978 -15.579  -0.959
  599   HG22  ILE  78          HG22      ILE  78   7.615 -16.309   0.492
  600   HG23  ILE  78          HG23      ILE  78   8.323 -14.789  -0.102
  601   HD11  ILE  78          HD11      ILE  78   7.278 -15.032  -3.086
  602   HD12  ILE  78          HD12      ILE  78   8.402 -15.245  -4.432
  603   HD13  ILE  78          HD13      ILE  78   7.644 -16.665  -3.693
  604    H    ALA  79           H        ALA  79   9.534 -19.095   0.463
  605    HA   ALA  79           HA       ALA  79   8.877 -19.963   2.449
  606    HB1  ALA  79           HB1      ALA  79  10.712 -20.100   4.055
  607    HB2  ALA  79           HB2      ALA  79  11.340 -20.185   2.400
  608    HB3  ALA  79           HB3      ALA  79  11.487 -18.675   3.329
  609    H    MET  80           H        MET  80   7.553 -17.493   2.092
  610    HA   MET  80           HA       MET  80   7.284 -16.163   4.694
  611    HB2  MET  80           HB2      MET  80   5.742 -16.134   2.065
  612    HB3  MET  80           HB3      MET  80   5.107 -15.339   3.492
  613    HG2  MET  80           HG2      MET  80   7.850 -14.742   2.342
  614    HG3  MET  80           HG3      MET  80   6.391 -13.850   1.923
  615    HE1  MET  80           HE1      MET  80   4.760 -13.283   4.497
  616    HE2  MET  80           HE2      MET  80   5.533 -11.789   5.061
  617    HE3  MET  80           HE3      MET  80   5.259 -12.047   3.325
  618    HA   PRO  81           HA       PRO  81   4.198 -18.899   6.549
  619    HB2  PRO  81           HB2      PRO  81   2.361 -16.491   6.474
  620    HB3  PRO  81           HB3      PRO  81   2.624 -17.660   7.807
  621    HG2  PRO  81           HG2      PRO  81   3.835 -15.241   7.879
  622    HG3  PRO  81           HG3      PRO  81   4.769 -16.713   8.307
  623    HD2  PRO  81           HD2      PRO  81   4.751 -15.186   5.701
  624    HD3  PRO  81           HD3      PRO  81   6.143 -15.860   6.601
  625    H    LYS  82           H        LYS  82   2.503 -20.216   5.775
  626    HA   LYS  82           HA       LYS  82   1.492 -19.572   3.044
  627    HB2  LYS  82           HB2      LYS  82   3.107 -21.929   4.055
  628    HB3  LYS  82           HB3      LYS  82   1.986 -22.173   2.719
  629    HG2  LYS  82           HG2      LYS  82   3.129 -20.932   1.239
  630    HG3  LYS  82           HG3      LYS  82   3.798 -19.816   2.440
  631    HD2  LYS  82           HD2      LYS  82   5.361 -21.618   3.216
  632    HD3  LYS  82           HD3      LYS  82   4.718 -22.672   1.941
  633    HE2  LYS  82           HE2      LYS  82   5.307 -20.696   0.336
  634    HE3  LYS  82           HE3      LYS  82   6.277 -20.065   1.672
  635    HZ1  LYS  82           HZ1      LYS  82   6.590 -22.682   0.305
  636    HZ2  LYS  82           HZ2      LYS  82   7.604 -21.403   0.151
  637    HZ3  LYS  82           HZ3      LYS  82   7.515 -22.215   1.589
  638    H    VAL  83           H        VAL  83  -0.175 -20.884   2.300
  639    HA   VAL  83           HA       VAL  83  -1.828 -22.348   4.276
  640    HB   VAL  83           HB       VAL  83  -2.766 -20.468   2.069
  641   HG11  VAL  83          HG11      VAL  83  -4.414 -22.170   3.999
  642   HG12  VAL  83          HG12      VAL  83  -5.068 -20.952   2.882
  643   HG13  VAL  83          HG13      VAL  83  -4.292 -22.396   2.237
  644   HG21  VAL  83          HG21      VAL  83  -2.071 -19.207   4.070
  645   HG22  VAL  83          HG22      VAL  83  -3.825 -19.156   3.895
  646   HG23  VAL  83          HG23      VAL  83  -3.085 -20.239   5.096
  647    H    LYS  84           H        LYS  84  -2.718 -24.261   3.254
  648    HA   LYS  84           HA       LYS  84  -1.487 -25.034   0.671
  649    HB2  LYS  84           HB2      LYS  84  -1.031 -26.464   3.338
  650    HB3  LYS  84           HB3      LYS  84  -0.586 -27.086   1.753
  651    HG2  LYS  84           HG2      LYS  84   0.791 -24.882   1.488
  652    HG3  LYS  84           HG3      LYS  84   0.576 -24.672   3.211
  653    HD2  LYS  84           HD2      LYS  84   2.721 -25.671   2.735
  654    HD3  LYS  84           HD3      LYS  84   1.728 -26.842   3.617
  655    HE2  LYS  84           HE2      LYS  84   1.363 -28.176   1.685
  656    HE3  LYS  84           HE3      LYS  84   1.783 -26.861   0.582
  657    HZ1  LYS  84           HZ1      LYS  84   3.762 -28.186   2.336
  658    HZ2  LYS  84           HZ2      LYS  84   3.526 -28.556   0.762
  659    HZ3  LYS  84           HZ3      LYS  84   4.052 -27.059   1.158
  660    H    GLY  85           H        GLY  85  -2.190 -27.351   0.107
  661    HA2  GLY  85           HA2      GLY  85  -4.604 -28.386   1.267
  662    HA3  GLY  85           HA3      GLY  85  -4.905 -27.548  -0.271
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1   1.326   0.362   2.154
    2    H2   ALA   1           H2       ALA   1   1.786  -1.198   1.847
    3    H3   ALA   1           H3       ALA   1   2.830   0.019   1.584
    4    HA   ALA   1           HA       ALA   1   0.287  -0.180   0.115
    5    HB1  ALA   1           HB1      ALA   1   1.370   1.337  -1.475
    6    HB2  ALA   1           HB2      ALA   1   1.319   2.062   0.136
    7    HB3  ALA   1           HB3      ALA   1   2.839   1.381  -0.485
    8    H    GLU   2           H        GLU   2   0.472  -2.582   0.006
    9    HA   GLU   2           HA       GLU   2   2.021  -3.405  -2.241
   10    HB2  GLU   2           HB2      GLU   2   3.521  -4.935  -1.255
   11    HB3  GLU   2           HB3      GLU   2   3.788  -3.413  -0.435
   12    HG2  GLU   2           HG2      GLU   2   2.376  -5.867   0.631
   13    HG3  GLU   2           HG3      GLU   2   3.958  -5.246   1.076
   14    H    HIS   3           H        HIS   3   1.611  -5.571  -2.896
   15    HA   HIS   3           HA       HIS   3  -0.399  -7.181  -1.458
   16    HB2  HIS   3           HB2      HIS   3  -0.469  -6.631  -4.462
   17    HB3  HIS   3           HB3      HIS   3  -1.586  -7.638  -3.549
   18    HD1  HIS   3           HD1      HIS   3  -3.037  -6.014  -1.570
   19    HD2  HIS   3           HD2      HIS   3  -1.324  -4.262  -4.999
   20    HE1  HIS   3           HE1      HIS   3  -4.200  -3.773  -1.887
   21    H    TRP   4           H        TRP   4  -0.257  -9.455  -2.263
   22    HA   TRP   4           HA       TRP   4   2.330 -10.117  -3.603
   23    HB2  TRP   4           HB2      TRP   4   0.730 -11.607  -1.469
   24    HB3  TRP   4           HB3      TRP   4   1.981 -12.360  -2.437
   25    HD1  TRP   4           HD1      TRP   4   1.576  -9.754   0.346
   26    HE1  TRP   4           HE1      TRP   4   3.741  -9.631   1.687
   27    HE3  TRP   4           HE3      TRP   4   4.486 -12.787  -2.577
   28    HZ2  TRP   4           HZ2      TRP   4   6.449 -10.683   1.483
   29    HZ3  TRP   4           HZ3      TRP   4   6.842 -13.234  -1.965
   30    HH2  TRP   4           HH2      TRP   4   7.837 -12.182   0.057
   31    H    ILE   5           H        ILE   5   2.001 -11.116  -5.555
   32    HA   ILE   5           HA       ILE   5  -0.700 -12.235  -6.144
   33    HB   ILE   5           HB       ILE   5   0.967 -10.493  -7.990
   34   HG12  ILE   5          HG12      ILE   5  -0.120  -9.093  -6.282
   35   HG13  ILE   5          HG13      ILE   5  -0.780  -8.832  -7.889
   36   HG21  ILE   5          HG21      ILE   5  -1.690 -11.933  -8.379
   37   HG22  ILE   5          HG22      ILE   5  -1.096 -10.646  -9.446
   38   HG23  ILE   5          HG23      ILE   5  -0.190 -12.156  -9.295
   39   HD11  ILE   5          HD11      ILE   5  -2.532  -8.772  -6.209
   40   HD12  ILE   5          HD12      ILE   5  -2.793 -10.149  -7.291
   41   HD13  ILE   5          HD13      ILE   5  -2.115 -10.399  -5.665
   42    H    ASP   6           H        ASP   6  -0.357 -14.291  -6.222
   43    HA   ASP   6           HA       ASP   6   2.066 -15.608  -7.139
   44    HB2  ASP   6           HB2      ASP   6   0.557 -16.537  -5.409
   45    HB3  ASP   6           HB3      ASP   6  -0.759 -16.569  -6.555
   46    H    VAL   7           H        VAL   7   2.535 -15.403  -9.300
   47    HA   VAL   7           HA       VAL   7   0.356 -15.219 -11.292
   48    HB   VAL   7           HB       VAL   7   2.183 -14.622 -12.866
   49   HG11  VAL   7          HG11      VAL   7   0.835 -12.938 -11.657
   50   HG12  VAL   7          HG12      VAL   7   2.047 -12.889 -10.361
   51   HG13  VAL   7          HG13      VAL   7   2.471 -12.362 -11.999
   52   HG21  VAL   7          HG21      VAL   7   4.014 -14.363 -10.449
   53   HG22  VAL   7          HG22      VAL   7   4.052 -15.780 -11.524
   54   HG23  VAL   7          HG23      VAL   7   4.413 -14.179 -12.156
   55    H    ARG   8           H        ARG   8   1.874 -17.635  -9.820
   56    HA   ARG   8           HA       ARG   8   2.636 -19.536 -11.813
   57    HB2  ARG   8           HB2      ARG   8   2.978 -19.360  -9.261
   58    HB3  ARG   8           HB3      ARG   8   1.284 -19.900  -9.142
   59    HG2  ARG   8           HG2      ARG   8   1.918 -22.082 -10.027
   60    HG3  ARG   8           HG3      ARG   8   3.586 -21.508 -10.284
   61    HD2  ARG   8           HD2      ARG   8   2.948 -22.901  -8.127
   62    HD3  ARG   8           HD3      ARG   8   4.113 -21.592  -8.041
   63    HE   ARG   8           HE       ARG   8   2.068 -20.145  -7.373
   64   HH11  ARG   8          HH11      ARG   8   2.761 -23.442  -6.131
   65   HH12  ARG   8          HH12      ARG   8   1.675 -23.215  -4.782
   66   HH21  ARG   8          HH21      ARG   8   0.591 -20.040  -5.762
   67   HH22  ARG   8          HH22      ARG   8   0.643 -21.229  -4.445
   68    H    VAL   9           H        VAL   9   1.366 -21.537 -12.289
   69    HA   VAL   9           HA       VAL   9  -1.312 -21.040 -13.052
   70    HB   VAL   9           HB       VAL   9  -1.412 -23.522 -13.448
   71   HG11  VAL   9          HG11      VAL   9   1.079 -22.164 -14.571
   72   HG12  VAL   9          HG12      VAL   9   0.201 -23.535 -15.275
   73   HG13  VAL   9          HG13      VAL   9  -0.581 -21.952 -15.170
   74   HG21  VAL   9          HG21      VAL   9   0.098 -24.306 -11.635
   75   HG22  VAL   9          HG22      VAL   9   0.590 -24.900 -13.223
   76   HG23  VAL   9          HG23      VAL   9   1.484 -23.568 -12.468
   77    HA   PRO  10           HA       PRO  10  -3.370 -21.476  -9.238
   78    HB2  PRO  10           HB2      PRO  10  -5.920 -22.115  -9.939
   79    HB3  PRO  10           HB3      PRO  10  -5.156 -20.539 -10.358
   80    HG2  PRO  10           HG2      PRO  10  -5.381 -22.993 -12.121
   81    HG3  PRO  10           HG3      PRO  10  -5.857 -21.304 -12.504
   82    HD2  PRO  10           HD2      PRO  10  -3.438 -22.284 -13.244
   83    HD3  PRO  10           HD3      PRO  10  -3.610 -20.605 -12.653
   84    H    GLU  11           H        GLU  11  -3.189 -24.261 -11.362
   85    HA   GLU  11           HA       GLU  11  -4.227 -26.266  -9.711
   86    HB2  GLU  11           HB2      GLU  11  -3.356 -26.271 -12.197
   87    HB3  GLU  11           HB3      GLU  11  -1.798 -26.660 -11.480
   88    HG2  GLU  11           HG2      GLU  11  -2.734 -28.737 -12.067
   89    HG3  GLU  11           HG3      GLU  11  -2.986 -28.649 -10.331
   90    H    GLN  12           H        GLN  12  -1.239 -24.435  -9.332
   91    HA   GLN  12           HA       GLN  12  -0.264 -26.335  -7.243
   92    HB2  GLN  12           HB2      GLN  12   1.035 -23.939  -8.566
   93    HB3  GLN  12           HB3      GLN  12   1.742 -24.905  -7.253
   94    HG2  GLN  12           HG2      GLN  12   1.708 -26.917  -8.694
   95    HG3  GLN  12           HG3      GLN  12   1.050 -25.952 -10.017
   96   HE21  GLN  12          HE22      GLN  12   2.785 -25.948 -11.491
   97   HE22  GLN  12          HE21      GLN  12   4.381 -25.364 -11.100
   98    H    TYR  13           H        TYR  13  -1.725 -23.117  -7.644
   99    HA   TYR  13           HA       TYR  13  -1.207 -21.998  -5.127
  100    HB2  TYR  13           HB2      TYR  13  -2.315 -20.802  -6.942
  101    HB3  TYR  13           HB3      TYR  13  -3.712 -21.863  -6.830
  102    HD1  TYR  13           HD1      TYR  13  -1.744 -19.355  -4.851
  103    HD2  TYR  13           HD2      TYR  13  -5.542 -21.315  -5.439
  104    HE1  TYR  13           HE1      TYR  13  -2.807 -17.752  -3.288
  105    HE2  TYR  13           HE2      TYR  13  -6.609 -19.732  -3.872
  106    HH   TYR  13           HH       TYR  13  -6.314 -17.871  -2.501
  107    H    GLN  14           H        GLN  14  -3.776 -24.346  -5.976
  108    HA   GLN  14           HA       GLN  14  -4.938 -24.438  -3.391
  109    HB2  GLN  14           HB2      GLN  14  -6.090 -26.399  -4.173
  110    HB3  GLN  14           HB3      GLN  14  -5.943 -25.272  -5.525
  111    HG2  GLN  14           HG2      GLN  14  -3.817 -26.616  -6.164
  112    HG3  GLN  14           HG3      GLN  14  -4.383 -27.846  -5.037
  113   HE21  GLN  14          HE22      GLN  14  -3.956 -27.952  -7.934
  114   HE22  GLN  14          HE21      GLN  14  -5.468 -28.352  -8.715
  115    H    GLN  15           H        GLN  15  -1.829 -25.625  -4.341
  116    HA   GLN  15           HA       GLN  15  -1.806 -27.764  -2.287
  117    HB2  GLN  15           HB2      GLN  15   0.263 -27.081  -4.419
  118    HB3  GLN  15           HB3      GLN  15   0.254 -28.485  -3.354
  119    HG2  GLN  15           HG2      GLN  15  -1.864 -29.273  -4.431
  120    HG3  GLN  15           HG3      GLN  15  -1.820 -27.876  -5.508
  121   HE21  GLN  15          HE22      GLN  15  -1.174 -28.486  -7.551
  122   HE22  GLN  15          HE21      GLN  15   0.095 -29.648  -7.878
  123    H    GLU  16           H        GLU  16  -0.360 -24.617  -3.120
  124    HA   GLU  16           HA       GLU  16   0.532 -24.192  -0.399
  125    HB2  GLU  16           HB2      GLU  16   2.308 -25.686  -1.460
  126    HB3  GLU  16           HB3      GLU  16   2.631 -24.412  -2.620
  127    HG2  GLU  16           HG2      GLU  16   3.467 -22.943  -0.887
  128    HG3  GLU  16           HG3      GLU  16   2.844 -23.976   0.389
  129    H    HIS  17           H        HIS  17   0.496 -21.939  -0.055
  130    HA   HIS  17           HA       HIS  17   1.483 -20.140  -2.092
  131    HB2  HIS  17           HB2      HIS  17  -0.533 -18.688  -2.112
  132    HB3  HIS  17           HB3      HIS  17  -0.742 -20.223  -2.930
  133    HD1  HIS  17           HD1      HIS  17  -2.570 -21.898  -1.939
  134    HD2  HIS  17           HD2      HIS  17  -2.127 -18.188  -0.007
  135    HE1  HIS  17           HE1      HIS  17  -4.613 -21.616  -0.444
  136    H    VAL  18           H        VAL  18   1.697 -17.904  -1.177
  137    HA   VAL  18           HA       VAL  18   2.556 -17.986   1.589
  138    HB   VAL  18           HB       VAL  18   2.168 -15.619  -0.303
  139   HG11  VAL  18          HG11      VAL  18   3.748 -15.827   2.303
  140   HG12  VAL  18          HG12      VAL  18   3.767 -14.440   1.191
  141   HG13  VAL  18          HG13      VAL  18   2.281 -14.858   2.039
  142   HG21  VAL  18          HG21      VAL  18   4.640 -15.731  -0.577
  143   HG22  VAL  18          HG22      VAL  18   4.657 -17.261   0.334
  144   HG23  VAL  18          HG23      VAL  18   3.831 -17.143  -1.236
  145    H    GLN  19           H        GLN  19   1.462 -17.236   3.383
  146    HA   GLN  19           HA       GLN  19  -1.356 -17.332   3.411
  147    HB2  GLN  19           HB2      GLN  19   0.227 -17.741   5.307
  148    HB3  GLN  19           HB3      GLN  19   0.523 -16.011   5.430
  149    HG2  GLN  19           HG2      GLN  19  -2.209 -17.346   5.745
  150    HG3  GLN  19           HG3      GLN  19  -1.126 -17.013   7.085
  151   HE21  GLN  19          HE22      GLN  19  -3.901 -15.866   5.859
  152   HE22  GLN  19          HE21      GLN  19  -3.713 -14.163   6.173
  153    H    GLY  20           H        GLY  20  -2.849 -15.897   2.745
  154    HA2  GLY  20           HA2      GLY  20  -3.966 -13.896   2.656
  155    HA3  GLY  20           HA3      GLY  20  -2.527 -13.043   3.218
  156    H    ALA  21           H        ALA  21  -1.493 -14.895   0.585
  157    HA   ALA  21           HA       ALA  21  -1.376 -12.602  -1.196
  158    HB1  ALA  21           HB1      ALA  21  -0.777 -15.554  -1.641
  159    HB2  ALA  21           HB2      ALA  21  -0.332 -14.225  -2.739
  160    HB3  ALA  21           HB3      ALA  21   0.397 -14.314  -1.121
  161    H    ILE  22           H        ILE  22  -2.077 -12.843  -3.510
  162    HA   ILE  22           HA       ILE  22  -4.755 -14.139  -3.820
  163    HB   ILE  22           HB       ILE  22  -3.659 -12.061  -5.713
  164   HG12  ILE  22          HG12      ILE  22  -3.429 -10.841  -3.615
  165   HG13  ILE  22          HG13      ILE  22  -4.693 -10.180  -4.617
  166   HG21  ILE  22          HG21      ILE  22  -6.071 -11.527  -6.039
  167   HG22  ILE  22          HG22      ILE  22  -5.657 -13.190  -6.438
  168   HG23  ILE  22          HG23      ILE  22  -6.487 -12.834  -4.910
  169   HD11  ILE  22          HD11      ILE  22  -5.192 -11.991  -2.209
  170   HD12  ILE  22          HD12      ILE  22  -5.322 -10.224  -2.230
  171   HD13  ILE  22          HD13      ILE  22  -6.435 -11.197  -3.204
  172    H    ASN  23           H        ASN  23  -4.981 -15.253  -5.969
  173    HA   ASN  23           HA       ASN  23  -2.415 -15.687  -7.413
  174    HB2  ASN  23           HB2      ASN  23  -2.877 -17.824  -6.524
  175    HB3  ASN  23           HB3      ASN  23  -4.597 -17.742  -6.943
  176   HD21  ASN  23          HD22      ASN  23  -1.408 -18.678  -8.076
  177   HD22  ASN  23          HD21      ASN  23  -1.820 -18.909  -9.763
  178    H    ILE  24           H        ILE  24  -2.419 -15.084  -9.391
  179    HA   ILE  24           HA       ILE  24  -4.888 -14.848 -10.938
  180    HB   ILE  24           HB       ILE  24  -3.015 -12.465 -10.777
  181   HG12  ILE  24          HG12      ILE  24  -5.650 -12.686  -9.324
  182   HG13  ILE  24          HG13      ILE  24  -4.039 -12.505  -8.613
  183   HG21  ILE  24          HG21      ILE  24  -4.675 -11.370 -12.088
  184   HG22  ILE  24          HG22      ILE  24  -4.186 -12.875 -12.864
  185   HG23  ILE  24          HG23      ILE  24  -5.744 -12.793 -12.006
  186   HD11  ILE  24          HD11      ILE  24  -5.529 -10.410 -10.211
  187   HD12  ILE  24          HD12      ILE  24  -5.106 -10.386  -8.497
  188   HD13  ILE  24          HD13      ILE  24  -3.822 -10.276  -9.719
  189    HA   PRO  25           HA       PRO  25  -1.245 -16.881 -12.706
  190    HB2  PRO  25           HB2      PRO  25  -2.364 -18.180 -14.848
  191    HB3  PRO  25           HB3      PRO  25  -2.553 -18.715 -13.144
  192    HG2  PRO  25           HG2      PRO  25  -4.495 -17.104 -14.797
  193    HG3  PRO  25           HG3      PRO  25  -4.827 -18.516 -13.751
  194    HD2  PRO  25           HD2      PRO  25  -5.195 -15.933 -12.900
  195    HD3  PRO  25           HD3      PRO  25  -4.669 -17.231 -11.791
  196    H    LEU  26           H        LEU  26   0.156 -16.475 -14.492
  197    HA   LEU  26           HA       LEU  26   0.573 -13.941 -15.017
  198    HB2  LEU  26           HB2      LEU  26   2.050 -15.933 -15.557
  199    HB3  LEU  26           HB3      LEU  26   1.175 -16.123 -17.068
  200    HG   LEU  26           HG       LEU  26   1.920 -13.671 -17.595
  201   HD11  LEU  26          HD11      LEU  26   3.839 -14.377 -15.318
  202   HD12  LEU  26          HD12      LEU  26   4.030 -13.018 -16.432
  203   HD13  LEU  26          HD13      LEU  26   2.650 -13.052 -15.328
  204   HD21  LEU  26          HD21      LEU  26   4.116 -14.445 -18.418
  205   HD22  LEU  26          HD22      LEU  26   3.975 -15.917 -17.434
  206   HD23  LEU  26          HD23      LEU  26   2.837 -15.616 -18.756
  207    H    LYS  27           H        LYS  27  -1.107 -15.857 -17.598
  208    HA   LYS  27           HA       LYS  27  -1.433 -13.657 -19.329
  209    HB2  LYS  27           HB2      LYS  27  -3.020 -15.037 -20.547
  210    HB3  LYS  27           HB3      LYS  27  -1.599 -15.970 -20.084
  211    HG2  LYS  27           HG2      LYS  27  -2.907 -16.971 -18.183
  212    HG3  LYS  27           HG3      LYS  27  -4.334 -16.064 -18.721
  213    HD2  LYS  27           HD2      LYS  27  -4.249 -17.222 -20.912
  214    HD3  LYS  27           HD3      LYS  27  -2.825 -18.139 -20.369
  215    HE2  LYS  27           HE2      LYS  27  -4.160 -19.100 -18.504
  216    HE3  LYS  27           HE3      LYS  27  -5.576 -18.187 -19.042
  217    HZ1  LYS  27           HZ1      LYS  27  -4.208 -20.292 -20.619
  218    HZ2  LYS  27           HZ2      LYS  27  -5.632 -20.459 -19.847
  219    HZ3  LYS  27           HZ3      LYS  27  -5.517 -19.447 -21.117
  220    H    GLU  28           H        GLU  28  -3.321 -14.601 -16.516
  221    HA   GLU  28           HA       GLU  28  -5.551 -12.812 -17.173
  222    HB2  GLU  28           HB2      GLU  28  -5.024 -14.976 -15.251
  223    HB3  GLU  28           HB3      GLU  28  -5.669 -13.554 -14.444
  224    HG2  GLU  28           HG2      GLU  28  -7.596 -13.494 -15.918
  225    HG3  GLU  28           HG3      GLU  28  -6.928 -14.793 -16.919
  226    H    VAL  29           H        VAL  29  -2.579 -12.809 -15.171
  227    HA   VAL  29           HA       VAL  29  -3.340 -10.633 -13.576
  228    HB   VAL  29           HB       VAL  29  -1.229 -12.246 -13.522
  229   HG11  VAL  29          HG11      VAL  29   0.898 -11.140 -13.815
  230   HG12  VAL  29          HG12      VAL  29   0.067 -11.132 -15.368
  231   HG13  VAL  29          HG13      VAL  29   0.120  -9.660 -14.398
  232   HG21  VAL  29          HG21      VAL  29  -0.351 -10.864 -11.701
  233   HG22  VAL  29          HG22      VAL  29  -1.179  -9.431 -12.341
  234   HG23  VAL  29          HG23      VAL  29  -2.118 -10.774 -11.681
  235    H    LYS  30           H        LYS  30  -1.892 -10.624 -16.755
  236    HA   LYS  30           HA       LYS  30  -1.517  -7.826 -16.913
  237    HB2  LYS  30           HB2      LYS  30  -0.659  -9.854 -18.410
  238    HB3  LYS  30           HB3      LYS  30  -2.101  -9.521 -19.369
  239    HG2  LYS  30           HG2      LYS  30  -1.353  -7.132 -19.630
  240    HG3  LYS  30           HG3      LYS  30   0.032  -7.462 -18.588
  241    HD2  LYS  30           HD2      LYS  30   0.795  -9.166 -20.313
  242    HD3  LYS  30           HD3      LYS  30  -0.561  -8.637 -21.340
  243    HE2  LYS  30           HE2      LYS  30   0.331  -6.302 -21.286
  244    HE3  LYS  30           HE3      LYS  30   1.671  -6.836 -20.271
  245    HZ1  LYS  30           HZ1      LYS  30   2.429  -6.713 -22.488
  246    HZ2  LYS  30           HZ2      LYS  30   2.336  -8.307 -22.146
  247    HZ3  LYS  30           HZ3      LYS  30   1.186  -7.610 -23.081
  248    H    GLU  31           H        GLU  31  -4.501  -9.287 -16.582
  249    HA   GLU  31           HA       GLU  31  -5.771  -6.802 -17.631
  250    HB2  GLU  31           HB2      GLU  31  -6.920  -9.621 -17.644
  251    HB3  GLU  31           HB3      GLU  31  -7.858  -8.147 -17.927
  252    HG2  GLU  31           HG2      GLU  31  -6.371  -7.607 -19.870
  253    HG3  GLU  31           HG3      GLU  31  -5.535  -9.145 -19.635
  254    H    ARG  32           H        ARG  32  -6.046  -9.517 -15.315
  255    HA   ARG  32           HA       ARG  32  -7.991  -8.269 -13.667
  256    HB2  ARG  32           HB2      ARG  32  -6.218 -10.670 -13.411
  257    HB3  ARG  32           HB3      ARG  32  -7.037 -10.067 -11.969
  258    HG2  ARG  32           HG2      ARG  32  -9.225 -10.139 -13.186
  259    HG3  ARG  32           HG3      ARG  32  -8.389 -10.792 -14.603
  260    HD2  ARG  32           HD2      ARG  32  -9.411 -12.610 -13.389
  261    HD3  ARG  32           HD3      ARG  32  -7.646 -12.723 -13.271
  262    HE   ARG  32           HE       ARG  32  -8.998 -11.335 -11.062
  263   HH11  ARG  32          HH11      ARG  32  -7.899 -14.551 -12.175
  264   HH12  ARG  32          HH12      ARG  32  -7.657 -15.145 -10.562
  265   HH21  ARG  32          HH21      ARG  32  -8.728 -12.187  -8.945
  266   HH22  ARG  32          HH22      ARG  32  -8.153 -13.795  -8.716
  267    H    ILE  33           H        ILE  33  -4.478  -7.810 -13.678
  268    HA   ILE  33           HA       ILE  33  -4.346  -6.869 -10.990
  269    HB   ILE  33           HB       ILE  33  -2.366  -7.368 -12.505
  270   HG12  ILE  33          HG12      ILE  33  -0.964  -5.444 -11.546
  271   HG13  ILE  33          HG13      ILE  33  -2.453  -4.846 -10.814
  272   HG21  ILE  33          HG21      ILE  33  -3.148  -5.967 -14.455
  273   HG22  ILE  33          HG22      ILE  33  -2.780  -4.523 -13.498
  274   HG23  ILE  33          HG23      ILE  33  -1.492  -5.639 -13.948
  275   HD11  ILE  33          HD11      ILE  33  -1.200  -7.590 -10.358
  276   HD12  ILE  33          HD12      ILE  33  -1.171  -6.213  -9.240
  277   HD13  ILE  33          HD13      ILE  33  -2.703  -7.018  -9.601
  278    H    ALA  34           H        ALA  34  -5.553  -5.333 -13.984
  279    HA   ALA  34           HA       ALA  34  -5.688  -2.694 -12.912
  280    HB1  ALA  34           HB1      ALA  34  -7.289  -2.265 -14.726
  281    HB2  ALA  34           HB2      ALA  34  -5.940  -3.243 -15.341
  282    HB3  ALA  34           HB3      ALA  34  -7.511  -4.006 -14.983
  283    H    THR  35           H        THR  35  -7.885  -5.485 -12.669
  284    HA   THR  35           HA       THR  35 -10.001  -4.060 -11.360
  285    HB   THR  35           HB       THR  35  -9.450  -7.041 -11.156
  286    HG1  THR  35           HG1      THR  35 -10.460  -7.253 -13.176
  287   HG21  THR  35          HG21      THR  35 -12.031  -5.434 -11.457
  288   HG22  THR  35          HG22      THR  35 -11.912  -7.202 -11.295
  289   HG23  THR  35          HG23      THR  35 -11.429  -6.159  -9.951
  290    H    ALA  36           H        ALA  36  -7.232  -6.013 -10.254
  291    HA   ALA  36           HA       ALA  36  -8.088  -5.977  -7.484
  292    HB1  ALA  36           HB1      ALA  36  -5.508  -6.938  -8.800
  293    HB2  ALA  36           HB2      ALA  36  -6.001  -7.268  -7.125
  294    HB3  ALA  36           HB3      ALA  36  -6.954  -7.918  -8.473
  295    H    VAL  37           H        VAL  37  -5.746  -4.134  -9.382
  296    HA   VAL  37           HA       VAL  37  -5.007  -2.466  -7.054
  297    HB   VAL  37           HB       VAL  37  -2.935  -3.605  -8.964
  298   HG11  VAL  37          HG11      VAL  37  -2.703  -2.411  -6.167
  299   HG12  VAL  37          HG12      VAL  37  -1.354  -2.952  -7.194
  300   HG13  VAL  37          HG13      VAL  37  -2.322  -1.559  -7.669
  301   HG21  VAL  37          HG21      VAL  37  -2.208  -5.172  -7.194
  302   HG22  VAL  37          HG22      VAL  37  -3.715  -4.835  -6.309
  303   HG23  VAL  37          HG23      VAL  37  -3.748  -5.593  -7.921
  304    HA   PRO  38           HA       PRO  38  -5.833  -0.219 -11.138
  305    HB2  PRO  38           HB2      PRO  38  -7.765   1.559 -10.240
  306    HB3  PRO  38           HB3      PRO  38  -8.127  -0.048 -10.922
  307    HG2  PRO  38           HG2      PRO  38  -7.896   0.741  -8.007
  308    HG3  PRO  38           HG3      PRO  38  -9.166  -0.254  -8.789
  309    HD2  PRO  38           HD2      PRO  38  -7.090  -1.389  -7.440
  310    HD3  PRO  38           HD3      PRO  38  -7.733  -2.126  -8.938
  311    H    ASP  39           H        ASP  39  -5.099   0.627  -7.846
  312    HA   ASP  39           HA       ASP  39  -4.510   3.381  -8.046
  313    HB2  ASP  39           HB2      ASP  39  -4.876   2.310  -5.935
  314    HB3  ASP  39           HB3      ASP  39  -3.597   1.129  -6.232
  315    H    LYS  40           H        LYS  40  -2.586   0.584  -8.936
  316    HA   LYS  40           HA       LYS  40  -0.553   0.200  -9.722
  317    HB2  LYS  40           HB2      LYS  40  -0.704   2.986 -10.906
  318    HB3  LYS  40           HB3      LYS  40   0.403   1.702 -11.372
  319    HG2  LYS  40           HG2      LYS  40  -1.764   0.285 -11.782
  320    HG3  LYS  40           HG3      LYS  40  -2.584   1.847 -11.800
  321    HD2  LYS  40           HD2      LYS  40  -1.085   2.609 -13.628
  322    HD3  LYS  40           HD3      LYS  40  -0.231   1.048 -13.581
  323    HE2  LYS  40           HE2      LYS  40  -2.350  -0.130 -14.118
  324    HE3  LYS  40           HE3      LYS  40  -3.198   1.420 -14.189
  325    HZ1  LYS  40           HZ1      LYS  40  -1.762   2.043 -16.049
  326    HZ2  LYS  40           HZ2      LYS  40  -0.980   0.600 -15.991
  327    HZ3  LYS  40           HZ3      LYS  40  -2.565   0.668 -16.390
  328    H    ASN  41           H        ASN  41  -0.564   2.766  -7.389
  329    HA   ASN  41           HA       ASN  41   2.384   2.944  -7.355
  330    HB2  ASN  41           HB2      ASN  41   1.001   4.966  -6.926
  331    HB3  ASN  41           HB3      ASN  41   0.296   4.179  -5.512
  332   HD21  ASN  41          HD22      ASN  41   1.422   4.301  -3.540
  333   HD22  ASN  41          HD21      ASN  41   3.029   4.960  -3.398
  334    H    ASP  42           H        ASP  42  -0.286   1.416  -5.576
  335    HA   ASP  42           HA       ASP  42   1.048   0.211  -3.405
  336    HB2  ASP  42           HB2      ASP  42  -1.268  -0.545  -5.168
  337    HB3  ASP  42           HB3      ASP  42  -0.529  -1.827  -4.218
  338    H    THR  43           H        THR  43   2.672  -1.246  -3.248
  339    HA   THR  43           HA       THR  43   4.174  -2.120  -5.455
  340    HB   THR  43           HB       THR  43   4.025  -3.145  -2.617
  341    HG1  THR  43           HG1      THR  43   4.554  -1.161  -2.378
  342   HG21  THR  43          HG21      THR  43   6.400  -3.514  -4.443
  343   HG22  THR  43          HG22      THR  43   6.277  -3.928  -2.713
  344   HG23  THR  43          HG23      THR  43   5.279  -4.781  -3.876
  345    H    VAL  44           H        VAL  44   4.379  -4.204  -6.445
  346    HA   VAL  44           HA       VAL  44   2.245  -6.172  -5.764
  347    HB   VAL  44           HB       VAL  44   3.088  -5.553  -8.625
  348   HG11  VAL  44          HG11      VAL  44   1.139  -7.015  -9.133
  349   HG12  VAL  44          HG12      VAL  44   2.325  -7.883  -8.152
  350   HG13  VAL  44          HG13      VAL  44   0.857  -7.232  -7.394
  351   HG21  VAL  44          HG21      VAL  44   0.553  -4.705  -7.151
  352   HG22  VAL  44          HG22      VAL  44   1.786  -3.629  -7.843
  353   HG23  VAL  44          HG23      VAL  44   0.794  -4.619  -8.912
  354    H    LYS  45           H        LYS  45   3.391  -7.638  -4.743
  355    HA   LYS  45           HA       LYS  45   6.136  -8.331  -5.519
  356    HB2  LYS  45           HB2      LYS  45   4.335  -9.439  -3.320
  357    HB3  LYS  45           HB3      LYS  45   6.051  -9.770  -3.531
  358    HG2  LYS  45           HG2      LYS  45   6.550  -7.357  -3.176
  359    HG3  LYS  45           HG3      LYS  45   4.806  -7.044  -2.976
  360    HD2  LYS  45           HD2      LYS  45   4.671  -8.416  -1.039
  361    HD3  LYS  45           HD3      LYS  45   6.351  -8.956  -1.190
  362    HE2  LYS  45           HE2      LYS  45   5.608  -6.021  -0.845
  363    HE3  LYS  45           HE3      LYS  45   5.747  -7.107   0.540
  364    HZ1  LYS  45           HZ1      LYS  45   7.959  -6.546  -1.372
  365    HZ2  LYS  45           HZ2      LYS  45   7.812  -5.942   0.139
  366    HZ3  LYS  45           HZ3      LYS  45   8.040  -7.539  -0.071
  367    H    VAL  46           H        VAL  46   6.003  -9.377  -7.525
  368    HA   VAL  46           HA       VAL  46   3.910 -11.400  -7.963
  369    HB   VAL  46           HB       VAL  46   4.980 -11.701 -10.171
  370   HG11  VAL  46          HG11      VAL  46   4.286  -8.811  -9.485
  371   HG12  VAL  46          HG12      VAL  46   4.219  -9.560 -11.091
  372   HG13  VAL  46          HG13      VAL  46   3.120 -10.112  -9.818
  373   HG21  VAL  46          HG21      VAL  46   6.624 -10.110 -11.020
  374   HG22  VAL  46          HG22      VAL  46   6.766  -9.334  -9.439
  375   HG23  VAL  46          HG23      VAL  46   7.320 -11.011  -9.673
  376    H    TYR  47           H        TYR  47   4.184 -13.629  -7.765
  377    HA   TYR  47           HA       TYR  47   6.904 -14.683  -7.607
  378    HB2  TYR  47           HB2      TYR  47   6.793 -15.664  -5.519
  379    HB3  TYR  47           HB3      TYR  47   6.277 -14.022  -5.264
  380    HD1  TYR  47           HD2      TYR  47   3.803 -13.531  -4.866
  381    HD2  TYR  47           HD1      TYR  47   5.369 -17.547  -5.066
  382    HE1  TYR  47           HE2      TYR  47   1.824 -14.369  -3.635
  383    HE2  TYR  47           HE1      TYR  47   3.362 -18.388  -3.891
  384    HH   TYR  47           HH       TYR  47   0.741 -16.264  -2.767
  385    H    CYS  48           H        CYS  48   6.833 -17.181  -7.477
  386    HA   CYS  48           HA       CYS  48   4.413 -18.491  -8.234
  387    HB2  CYS  48           HB2      CYS  48   5.158 -19.367 -10.392
  388    HB3  CYS  48           HB3      CYS  48   5.182 -17.606 -10.437
  389    HG   CYS  48           HG       CYS  48   7.700 -17.324  -9.948
  390    H    ASN  49           H        ASN  49   6.308 -20.729  -9.329
  391    HA   ASN  49           HA       ASN  49   6.453 -22.110  -6.802
  392    HB2  ASN  49           HB2      ASN  49   6.061 -23.193  -9.033
  393    HB3  ASN  49           HB3      ASN  49   7.731 -22.845  -9.478
  394   HD21  ASN  49          HD22      ASN  49   5.642 -25.117  -7.959
  395   HD22  ASN  49          HD21      ASN  49   6.885 -26.113  -7.234
  396    H    ALA  50           H        ALA  50   8.956 -20.671  -8.952
  397    HA   ALA  50           HA       ALA  50  10.812 -20.546  -6.625
  398    HB1  ALA  50           HB1      ALA  50  11.269 -22.651  -7.821
  399    HB2  ALA  50           HB2      ALA  50  11.499 -21.749  -9.339
  400    HB3  ALA  50           HB3      ALA  50  12.617 -21.510  -7.979
  401    H    GLY  51           H        GLY  51   9.768 -19.085  -9.711
  402    HA2  GLY  51           HA2      GLY  51  10.374 -16.561  -9.257
  403    HA3  GLY  51           HA3      GLY  51  12.004 -17.137  -9.588
  404    H    ARG  52           H        ARG  52  10.872 -19.077 -11.694
  405    HA   ARG  52           HA       ARG  52  11.614 -17.602 -13.892
  406    HB2  ARG  52           HB2      ARG  52  11.538 -20.013 -13.907
  407    HB3  ARG  52           HB3      ARG  52   9.779 -20.032 -13.724
  408    HG2  ARG  52           HG2      ARG  52   9.472 -19.085 -15.955
  409    HG3  ARG  52           HG3      ARG  52  11.229 -18.875 -16.145
  410    HD2  ARG  52           HD2      ARG  52  11.517 -21.352 -15.991
  411    HD3  ARG  52           HD3      ARG  52   9.775 -21.533 -15.783
  412    HE   ARG  52           HE       ARG  52   9.405 -21.134 -18.012
  413   HH11  ARG  52          HH21      ARG  52  12.834 -20.497 -17.330
  414   HH12  ARG  52          HH22      ARG  52  13.291 -20.401 -18.989
  415   HH21  ARG  52          HH11      ARG  52  10.015 -21.006 -20.219
  416   HH22  ARG  52          HH12      ARG  52  11.650 -20.702 -20.666
  417    H    GLN  53           H        GLN  53   8.157 -18.335 -13.110
  418    HA   GLN  53           HA       GLN  53   7.283 -16.615 -15.255
  419    HB2  GLN  53           HB2      GLN  53   6.137 -18.662 -14.442
  420    HB3  GLN  53           HB3      GLN  53   5.626 -17.793 -12.984
  421    HG2  GLN  53           HG2      GLN  53   4.040 -16.568 -14.114
  422    HG3  GLN  53           HG3      GLN  53   4.999 -16.495 -15.591
  423   HE21  GLN  53          HE22      GLN  53   2.287 -18.074 -14.125
  424   HE22  GLN  53          HE21      GLN  53   2.120 -19.340 -15.324
  425    H    SER  54           H        SER  54   7.861 -16.113 -11.768
  426    HA   SER  54           HA       SER  54   6.649 -13.606 -11.433
  427    HB2  SER  54           HB2      SER  54   9.340 -14.227 -10.238
  428    HB3  SER  54           HB3      SER  54   7.918 -13.495  -9.488
  429    HG   SER  54           HG       SER  54   8.358 -15.654  -8.795
  430    H    GLY  55           H        GLY  55   9.838 -14.505 -12.859
  431    HA2  GLY  55           HA2      GLY  55  10.899 -11.876 -13.105
  432    HA3  GLY  55           HA3      GLY  55  11.346 -13.292 -14.078
  433    H    GLN  56           H        GLN  56   9.079 -13.929 -15.451
  434    HA   GLN  56           HA       GLN  56   8.958 -11.937 -17.468
  435    HB2  GLN  56           HB2      GLN  56   8.549 -14.384 -17.808
  436    HB3  GLN  56           HB3      GLN  56   7.014 -14.231 -16.939
  437    HG2  GLN  56           HG2      GLN  56   6.703 -14.291 -19.372
  438    HG3  GLN  56           HG3      GLN  56   6.104 -12.810 -18.658
  439   HE21  GLN  56          HE22      GLN  56   7.355 -10.782 -18.995
  440   HE22  GLN  56          HE21      GLN  56   8.408 -10.666 -20.390
  441    H    ALA  57           H        ALA  57   6.727 -12.717 -14.758
  442    HA   ALA  57           HA       ALA  57   4.688 -10.882 -15.408
  443    HB1  ALA  57           HB1      ALA  57   4.045 -11.045 -13.056
  444    HB2  ALA  57           HB2      ALA  57   4.438 -12.641 -13.718
  445    HB3  ALA  57           HB3      ALA  57   5.594 -11.812 -12.655
  446    H    LYS  58           H        LYS  58   7.739 -10.368 -13.516
  447    HA   LYS  58           HA       LYS  58   7.037  -7.833 -12.585
  448    HB2  LYS  58           HB2      LYS  58   8.927  -8.738 -11.590
  449    HB3  LYS  58           HB3      LYS  58   9.757  -9.014 -13.136
  450    HG2  LYS  58           HG2      LYS  58  10.174  -6.725 -13.479
  451    HG3  LYS  58           HG3      LYS  58   9.016  -6.193 -12.275
  452    HD2  LYS  58           HD2      LYS  58  10.394  -6.754 -10.458
  453    HD3  LYS  58           HD3      LYS  58  11.508  -7.717 -11.467
  454    HE2  LYS  58           HE2      LYS  58  11.047  -4.722 -11.823
  455    HE3  LYS  58           HE3      LYS  58  12.347  -5.398 -10.838
  456    HZ1  LYS  58           HZ1      LYS  58  13.253  -6.446 -12.807
  457    HZ2  LYS  58           HZ2      LYS  58  12.046  -5.896 -13.770
  458    HZ3  LYS  58           HZ3      LYS  58  13.092  -4.851 -13.074
  459    H    GLU  59           H        GLU  59   8.602  -8.765 -15.685
  460    HA   GLU  59           HA       GLU  59   8.929  -6.008 -16.509
  461    HB2  GLU  59           HB2      GLU  59   9.076  -8.605 -18.098
  462    HB3  GLU  59           HB3      GLU  59   9.560  -7.016 -18.699
  463    HG2  GLU  59           HG2      GLU  59  10.820  -8.527 -16.364
  464    HG3  GLU  59           HG3      GLU  59  11.512  -8.308 -17.962
  465    H    ILE  60           H        ILE  60   6.457  -8.519 -17.063
  466    HA   ILE  60           HA       ILE  60   4.854  -7.087 -18.937
  467    HB   ILE  60           HB       ILE  60   4.486  -9.336 -16.959
  468   HG12  ILE  60          HG12      ILE  60   4.004  -9.136 -19.964
  469   HG13  ILE  60          HG13      ILE  60   5.536  -9.603 -19.232
  470   HG21  ILE  60          HG21      ILE  60   2.176  -8.077 -18.438
  471   HG22  ILE  60          HG22      ILE  60   2.123  -9.665 -17.631
  472   HG23  ILE  60          HG23      ILE  60   2.369  -8.219 -16.675
  473   HD11  ILE  60          HD11      ILE  60   4.422 -11.613 -19.885
  474   HD12  ILE  60          HD12      ILE  60   4.366 -11.532 -18.113
  475   HD13  ILE  60          HD13      ILE  60   2.919 -11.150 -19.079
  476    H    LEU  61           H        LEU  61   4.750  -7.052 -15.297
  477    HA   LEU  61           HA       LEU  61   2.573  -5.144 -15.376
  478    HB2  LEU  61           HB2      LEU  61   4.431  -5.998 -13.139
  479    HB3  LEU  61           HB3      LEU  61   3.090  -4.863 -12.940
  480    HG   LEU  61           HG       LEU  61   2.885  -7.807 -13.696
  481   HD11  LEU  61          HD11      LEU  61   3.290  -7.237 -11.302
  482   HD12  LEU  61          HD12      LEU  61   1.833  -6.224 -11.314
  483   HD13  LEU  61          HD13      LEU  61   1.704  -7.982 -11.565
  484   HD21  LEU  61          HD21      LEU  61   0.378  -7.404 -13.522
  485   HD22  LEU  61          HD22      LEU  61   0.731  -5.664 -13.621
  486   HD23  LEU  61          HD23      LEU  61   1.129  -6.752 -14.977
  487    H    SER  62           H        SER  62   6.096  -4.831 -15.376
  488    HA   SER  62           HA       SER  62   6.146  -2.004 -14.843
  489    HB2  SER  62           HB2      SER  62   8.087  -3.692 -16.478
  490    HB3  SER  62           HB3      SER  62   8.390  -2.086 -15.797
  491    HG   SER  62           HG       SER  62   7.900  -4.522 -14.394
  492    H    GLU  63           H        GLU  63   5.847  -3.945 -17.886
  493    HA   GLU  63           HA       GLU  63   5.625  -1.751 -19.665
  494    HB2  GLU  63           HB2      GLU  63   6.106  -4.009 -20.394
  495    HB3  GLU  63           HB3      GLU  63   4.559  -4.602 -19.794
  496    HG2  GLU  63           HG2      GLU  63   3.344  -3.272 -21.433
  497    HG3  GLU  63           HG3      GLU  63   4.853  -2.545 -22.008
  498    H    MET  64           H        MET  64   3.180  -3.435 -17.661
  499    HA   MET  64           HA       MET  64   0.919  -1.899 -18.569
  500    HB2  MET  64           HB2      MET  64   1.431  -3.501 -16.041
  501    HB3  MET  64           HB3      MET  64  -0.104  -2.751 -16.399
  502    HG2  MET  64           HG2      MET  64   1.204  -4.699 -18.323
  503    HG3  MET  64           HG3      MET  64   0.182  -5.231 -16.996
  504    HE1  MET  64           HE1      MET  64  -2.265  -5.028 -16.791
  505    HE2  MET  64           HE2      MET  64  -2.252  -3.251 -16.795
  506    HE3  MET  64           HE3      MET  64  -3.353  -4.131 -17.875
  507    H    GLY  65           H        GLY  65   3.626  -0.765 -16.862
  508    HA2  GLY  65           HA2      GLY  65   3.971   1.409 -16.266
  509    HA3  GLY  65           HA3      GLY  65   2.241   1.745 -16.427
  510    H    TYR  66           H        TYR  66   3.090  -0.935 -14.323
  511    HA   TYR  66           HA       TYR  66   2.174   0.488 -11.932
  512    HB2  TYR  66           HB2      TYR  66   3.284  -2.270 -12.509
  513    HB3  TYR  66           HB3      TYR  66   3.077  -1.683 -10.859
  514    HD1  TYR  66           HD1      TYR  66   1.193  -2.219 -14.073
  515    HD2  TYR  66           HD2      TYR  66   0.986  -1.805  -9.786
  516    HE1  TYR  66           HE1      TYR  66  -1.266  -2.538 -14.168
  517    HE2  TYR  66           HE2      TYR  66  -1.453  -2.131  -9.873
  518    HH   TYR  66           HH       TYR  66  -3.304  -2.160 -11.235
  519    H    THR  67           H        THR  67   3.481   1.449 -10.357
  520    HA   THR  67           HA       THR  67   6.232   1.982 -11.274
  521    HB   THR  67           HB       THR  67   5.939   3.934  -9.662
  522    HG1  THR  67           HG1      THR  67   3.840   4.353  -9.011
  523   HG21  THR  67          HG21      THR  67   5.591   4.131 -12.125
  524   HG22  THR  67          HG22      THR  67   3.882   3.695 -11.909
  525   HG23  THR  67          HG23      THR  67   4.518   5.197 -11.205
  526    H    HIS  68           H        HIS  68   4.798  -0.023  -8.957
  527    HA   HIS  68           HA       HIS  68   7.377  -0.250  -7.502
  528    HB2  HIS  68           HB2      HIS  68   4.596  -0.015  -6.297
  529    HB3  HIS  68           HB3      HIS  68   5.962  -0.719  -5.435
  530    HD1  HIS  68           HD1      HIS  68   7.360   0.861  -4.025
  531    HD2  HIS  68           HD2      HIS  68   5.067   2.752  -7.002
  532    HE1  HIS  68           HE1      HIS  68   7.620   3.362  -3.643
  533    H    VAL  69           H        VAL  69   6.663  -1.787  -9.738
  534    HA   VAL  69           HA       VAL  69   5.601  -4.358  -8.875
  535    HB   VAL  69           HB       VAL  69   7.568  -3.763 -11.137
  536   HG11  VAL  69          HG11      VAL  69   6.559  -5.840 -12.080
  537   HG12  VAL  69          HG12      VAL  69   7.459  -6.147 -10.587
  538   HG13  VAL  69          HG13      VAL  69   5.675  -6.100 -10.565
  539   HG21  VAL  69          HG21      VAL  69   4.523  -3.846 -11.184
  540   HG22  VAL  69          HG22      VAL  69   5.548  -2.419 -11.491
  541   HG23  VAL  69          HG23      VAL  69   5.586  -3.766 -12.612
  542    H    GLU  70           H        GLU  70   6.765  -6.041  -7.875
  543    HA   GLU  70           HA       GLU  70   9.680  -5.681  -7.524
  544    HB2  GLU  70           HB2      GLU  70   8.485  -4.730  -5.531
  545    HB3  GLU  70           HB3      GLU  70   7.741  -6.320  -5.251
  546    HG2  GLU  70           HG2      GLU  70   9.911  -7.339  -4.929
  547    HG3  GLU  70           HG3      GLU  70  10.739  -5.880  -5.484
  548    H    ASN  71           H        ASN  71  10.688  -7.551  -8.012
  549    HA   ASN  71           HA       ASN  71   9.103  -9.978  -8.529
  550    HB2  ASN  71           HB2      ASN  71  11.092  -9.350  -9.947
  551    HB3  ASN  71           HB3      ASN  71  12.134  -9.578  -8.534
  552   HD21  ASN  71          HD22      ASN  71   9.930 -11.176 -10.842
  553   HD22  ASN  71          HD21      ASN  71  10.567 -12.784 -10.522
  554    H    ALA  72           H        ALA  72   8.783 -11.564  -6.989
  555    HA   ALA  72           HA       ALA  72  10.419 -11.400  -4.518
  556    HB1  ALA  72           HB1      ALA  72   8.148 -10.500  -4.231
  557    HB2  ALA  72           HB2      ALA  72   7.460 -12.055  -4.760
  558    HB3  ALA  72           HB3      ALA  72   8.412 -11.958  -3.263
  559    H    GLY  73           H        GLY  73  10.802 -13.109  -6.998
  560    HA2  GLY  73           HA2      GLY  73  11.636 -15.214  -7.360
  561    HA3  GLY  73           HA3      GLY  73  11.748 -15.376  -5.601
  562    H    GLY  74           H        GLY  74  10.685 -17.224  -4.925
  563    HA2  GLY  74           HA2      GLY  74   7.914 -17.589  -5.579
  564    HA3  GLY  74           HA3      GLY  74   8.935 -18.789  -6.376
  565    H    LEU  75           H        LEU  75   7.198 -19.799  -4.738
  566    HA   LEU  75           HA       LEU  75   7.443 -19.603  -1.985
  567    HB2  LEU  75           HB2      LEU  75   6.520 -21.887  -3.768
  568    HB3  LEU  75           HB3      LEU  75   6.329 -21.947  -2.020
  569    HG   LEU  75           HG       LEU  75   5.249 -19.610  -3.613
  570   HD11  LEU  75          HD11      LEU  75   4.302 -21.580  -4.615
  571   HD12  LEU  75          HD12      LEU  75   3.885 -22.261  -3.030
  572   HD13  LEU  75          HD13      LEU  75   3.070 -20.794  -3.615
  573   HD21  LEU  75          HD21      LEU  75   4.409 -20.819  -0.939
  574   HD22  LEU  75          HD22      LEU  75   5.384 -19.340  -1.136
  575   HD23  LEU  75          HD23      LEU  75   3.719 -19.389  -1.714
  576    H    LYS  76           H        LYS  76   9.481 -21.601  -4.084
  577    HA   LYS  76           HA       LYS  76  10.568 -23.026  -1.732
  578    HB2  LYS  76           HB2      LYS  76  11.226 -23.249  -4.697
  579    HB3  LYS  76           HB3      LYS  76  11.859 -24.296  -3.427
  580    HG2  LYS  76           HG2      LYS  76   8.930 -24.057  -4.249
  581    HG3  LYS  76           HG3      LYS  76  10.024 -25.387  -4.617
  582    HD2  LYS  76           HD2      LYS  76  10.255 -25.879  -2.192
  583    HD3  LYS  76           HD3      LYS  76   9.100 -24.602  -1.803
  584    HE2  LYS  76           HE2      LYS  76   8.446 -26.973  -3.594
  585    HE3  LYS  76           HE3      LYS  76   8.200 -26.972  -1.847
  586    HZ1  LYS  76           HZ1      LYS  76   6.190 -26.382  -3.012
  587    HZ2  LYS  76           HZ2      LYS  76   6.650 -25.133  -2.075
  588    HZ3  LYS  76           HZ3      LYS  76   6.887 -25.081  -3.708
  589    H    ASP  77           H        ASP  77  11.005 -20.003  -2.629
  590    HA   ASP  77           HA       ASP  77  13.781 -19.968  -1.536
  591    HB2  ASP  77           HB2      ASP  77  13.883 -19.375  -3.907
  592    HB3  ASP  77           HB3      ASP  77  12.598 -18.183  -3.694
  593    H    ILE  78           H        ILE  78  10.538 -18.513  -1.710
  594    HA   ILE  78           HA       ILE  78  10.850 -16.418   0.178
  595    HB   ILE  78           HB       ILE  78   8.502 -18.179  -0.625
  596   HG12  ILE  78          HG12      ILE  78   9.097 -15.255  -1.285
  597   HG13  ILE  78          HG13      ILE  78   9.529 -16.592  -2.332
  598   HG21  ILE  78          HG21      ILE  78   6.991 -16.499   0.426
  599   HG22  ILE  78          HG22      ILE  78   7.962 -17.344   1.605
  600   HG23  ILE  78          HG23      ILE  78   8.399 -15.681   1.123
  601   HD11  ILE  78          HD11      ILE  78   7.526 -15.681  -3.199
  602   HD12  ILE  78          HD12      ILE  78   7.085 -17.231  -2.460
  603   HD13  ILE  78          HD13      ILE  78   6.724 -15.699  -1.630
  604    H    ALA  79           H        ALA  79  10.501 -16.365   2.419
  605    HA   ALA  79           HA       ALA  79  10.493 -18.912   3.944
  606    HB1  ALA  79           HB1      ALA  79  12.462 -16.609   4.316
  607    HB2  ALA  79           HB2      ALA  79  12.308 -18.034   5.368
  608    HB3  ALA  79           HB3      ALA  79  12.847 -18.228   3.689
  609    H    MET  80           H        MET  80   8.194 -17.977   3.783
  610    HA   MET  80           HA       MET  80   7.564 -16.227   6.079
  611    HB2  MET  80           HB2      MET  80   6.808 -15.756   3.155
  612    HB3  MET  80           HB3      MET  80   5.850 -15.108   4.469
  613    HG2  MET  80           HG2      MET  80   7.865 -13.954   5.379
  614    HG3  MET  80           HG3      MET  80   8.803 -14.561   4.016
  615    HE1  MET  80           HE1      MET  80   5.046 -13.040   3.937
  616    HE2  MET  80           HE2      MET  80   5.946 -12.177   5.208
  617    HE3  MET  80           HE3      MET  80   5.478 -11.335   3.716
  618    HA   PRO  81           HA       PRO  81   4.519 -19.215   6.816
  619    HB2  PRO  81           HB2      PRO  81   2.137 -17.843   7.337
  620    HB3  PRO  81           HB3      PRO  81   3.502 -18.053   8.474
  621    HG2  PRO  81           HG2      PRO  81   2.931 -15.706   6.648
  622    HG3  PRO  81           HG3      PRO  81   3.403 -15.680   8.380
  623    HD2  PRO  81           HD2      PRO  81   5.238 -15.253   6.479
  624    HD3  PRO  81           HD3      PRO  81   5.644 -16.305   7.860
  625    H    LYS  82           H        LYS  82   2.799 -20.446   6.011
  626    HA   LYS  82           HA       LYS  82   1.956 -19.808   3.224
  627    HB2  LYS  82           HB2      LYS  82   3.464 -22.183   4.369
  628    HB3  LYS  82           HB3      LYS  82   2.395 -22.424   2.988
  629    HG2  LYS  82           HG2      LYS  82   3.579 -20.967   1.596
  630    HG3  LYS  82           HG3      LYS  82   4.534 -20.284   2.938
  631    HD2  LYS  82           HD2      LYS  82   5.593 -22.553   3.251
  632    HD3  LYS  82           HD3      LYS  82   4.712 -23.110   1.815
  633    HE2  LYS  82           HE2      LYS  82   5.814 -21.144   0.564
  634    HE3  LYS  82           HE3      LYS  82   6.826 -20.912   1.992
  635    HZ1  LYS  82           HZ1      LYS  82   6.712 -23.339   0.285
  636    HZ2  LYS  82           HZ2      LYS  82   7.945 -22.259   0.356
  637    HZ3  LYS  82           HZ3      LYS  82   7.628 -23.212   1.656
  638    H    VAL  83           H        VAL  83   0.248 -21.116   2.466
  639    HA   VAL  83           HA       VAL  83  -1.418 -22.561   4.445
  640    HB   VAL  83           HB       VAL  83  -2.345 -20.651   2.259
  641   HG11  VAL  83          HG11      VAL  83  -4.011 -22.401   4.131
  642   HG12  VAL  83          HG12      VAL  83  -4.655 -21.161   3.033
  643   HG13  VAL  83          HG13      VAL  83  -3.866 -22.589   2.367
  644   HG21  VAL  83          HG21      VAL  83  -1.668 -19.447   4.305
  645   HG22  VAL  83          HG22      VAL  83  -3.419 -19.378   4.095
  646   HG23  VAL  83          HG23      VAL  83  -2.711 -20.495   5.284
  647    H    LYS  84           H        LYS  84  -2.220 -24.509   3.468
  648    HA   LYS  84           HA       LYS  84  -1.122 -25.230   0.817
  649    HB2  LYS  84           HB2      LYS  84  -0.367 -26.517   3.488
  650    HB3  LYS  84           HB3      LYS  84  -0.155 -27.304   1.926
  651    HG2  LYS  84           HG2      LYS  84   1.297 -25.377   1.198
  652    HG3  LYS  84           HG3      LYS  84   1.205 -24.706   2.815
  653    HD2  LYS  84           HD2      LYS  84   3.284 -25.952   2.496
  654    HD3  LYS  84           HD3      LYS  84   2.292 -26.699   3.742
  655    HE2  LYS  84           HE2      LYS  84   3.362 -28.378   2.306
  656    HE3  LYS  84           HE3      LYS  84   1.606 -28.488   2.223
  657    HZ1  LYS  84           HZ1      LYS  84   2.694 -28.652   0.049
  658    HZ2  LYS  84           HZ2      LYS  84   1.678 -27.371   0.079
  659    HZ3  LYS  84           HZ3      LYS  84   3.319 -27.145   0.202
  660    H    GLY  85           H        GLY  85  -1.852 -27.362   0.140
  661    HA2  GLY  85           HA2      GLY  85  -4.631 -27.847   0.444
  662    HA3  GLY  85           HA3      GLY  85  -3.441 -28.971  -0.230
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1  -0.136   0.497   1.646
    2    H2   ALA   1           H2       ALA   1   0.012  -1.131   1.722
    3    H3   ALA   1           H3       ALA   1   1.347  -0.190   1.788
    4    HA   ALA   1           HA       ALA   1  -0.434  -0.458  -0.545
    5    HB1  ALA   1           HB1      ALA   1   2.136   1.152  -0.257
    6    HB2  ALA   1           HB2      ALA   1   1.197   0.926  -1.744
    7    HB3  ALA   1           HB3      ALA   1   0.489   1.810  -0.387
    8    H    GLU   2           H        GLU   2  -0.098  -2.885  -0.019
    9    HA   GLU   2           HA       GLU   2   1.969  -3.853  -1.756
   10    HB2  GLU   2           HB2      GLU   2   3.215  -3.721   0.420
   11    HB3  GLU   2           HB3      GLU   2   1.953  -4.673   1.201
   12    HG2  GLU   2           HG2      GLU   2   2.510  -6.601  -0.289
   13    HG3  GLU   2           HG3      GLU   2   3.790  -5.640  -1.032
   14    H    HIS   3           H        HIS   3   1.331  -5.883  -2.549
   15    HA   HIS   3           HA       HIS   3  -0.756  -7.465  -1.225
   16    HB2  HIS   3           HB2      HIS   3  -0.917  -6.638  -4.162
   17    HB3  HIS   3           HB3      HIS   3  -1.907  -7.872  -3.390
   18    HD1  HIS   3           HD1      HIS   3  -3.463  -6.707  -1.178
   19    HD2  HIS   3           HD2      HIS   3  -2.169  -4.423  -4.470
   20    HE1  HIS   3           HE1      HIS   3  -5.010  -4.692  -1.298
   21    H    TRP   4           H        TRP   4  -0.708  -9.701  -2.215
   22    HA   TRP   4           HA       TRP   4   1.833 -10.318  -3.647
   23    HB2  TRP   4           HB2      TRP   4   0.522 -11.789  -1.335
   24    HB3  TRP   4           HB3      TRP   4   1.733 -12.509  -2.385
   25    HD1  TRP   4           HD1      TRP   4   1.494  -9.415  -0.055
   26    HE1  TRP   4           HE1      TRP   4   3.730  -9.024   1.082
   27    HE3  TRP   4           HE3      TRP   4   4.157 -13.223  -2.248
   28    HZ2  TRP   4           HZ2      TRP   4   6.307 -10.383   1.239
   29    HZ3  TRP   4           HZ3      TRP   4   6.489 -13.655  -1.556
   30    HH2  TRP   4           HH2      TRP   4   7.578 -12.247   0.176
   31    H    ILE   5           H        ILE   5   1.344 -11.088  -5.601
   32    HA   ILE   5           HA       ILE   5  -1.207 -12.593  -5.910
   33    HB   ILE   5           HB       ILE   5   0.064 -10.814  -8.028
   34   HG12  ILE   5          HG12      ILE   5  -2.013  -9.476  -7.940
   35   HG13  ILE   5          HG13      ILE   5  -2.547 -10.350  -6.506
   36   HG21  ILE   5          HG21      ILE   5  -1.087 -12.780  -8.951
   37   HG22  ILE   5          HG22      ILE   5  -2.494 -12.487  -7.899
   38   HG23  ILE   5          HG23      ILE   5  -2.104 -11.364  -9.211
   39   HD11  ILE   5          HD11      ILE   5  -1.039  -9.207  -5.134
   40   HD12  ILE   5          HD12      ILE   5   0.074  -8.838  -6.470
   41   HD13  ILE   5          HD13      ILE   5  -1.475  -7.972  -6.311
   42    H    ASP   6           H        ASP   6  -0.755 -14.596  -6.158
   43    HA   ASP   6           HA       ASP   6   1.741 -15.738  -7.102
   44    HB2  ASP   6           HB2      ASP   6   0.153 -16.787  -5.474
   45    HB3  ASP   6           HB3      ASP   6  -1.074 -16.829  -6.713
   46    H    VAL   7           H        VAL   7   2.263 -15.588  -9.278
   47    HA   VAL   7           HA       VAL   7   0.079 -15.247 -11.258
   48    HB   VAL   7           HB       VAL   7   1.759 -14.487 -12.798
   49   HG11  VAL   7          HG11      VAL   7   2.334 -12.387 -11.739
   50   HG12  VAL   7          HG12      VAL   7   0.720 -12.888 -11.198
   51   HG13  VAL   7          HG13      VAL   7   2.115 -13.077 -10.121
   52   HG21  VAL   7          HG21      VAL   7   3.693 -15.899 -11.968
   53   HG22  VAL   7          HG22      VAL   7   4.076 -14.210 -12.280
   54   HG23  VAL   7          HG23      VAL   7   3.862 -14.758 -10.614
   55    H    ARG   8           H        ARG   8   1.522 -17.741  -9.888
   56    HA   ARG   8           HA       ARG   8   2.277 -19.587 -11.944
   57    HB2  ARG   8           HB2      ARG   8   2.662 -19.489  -9.405
   58    HB3  ARG   8           HB3      ARG   8   0.954 -19.976  -9.258
   59    HG2  ARG   8           HG2      ARG   8   1.493 -22.166 -10.163
   60    HG3  ARG   8           HG3      ARG   8   3.172 -21.645 -10.461
   61    HD2  ARG   8           HD2      ARG   8   2.611 -23.036  -8.312
   62    HD3  ARG   8           HD3      ARG   8   3.737 -21.692  -8.215
   63    HE   ARG   8           HE       ARG   8   1.654 -20.323  -7.502
   64   HH11  ARG   8          HH11      ARG   8   2.508 -23.614  -6.322
   65   HH12  ARG   8          HH12      ARG   8   1.541 -23.396  -4.885
   66   HH21  ARG   8          HH21      ARG   8   0.373 -20.225  -5.747
   67   HH22  ARG   8          HH22      ARG   8   0.503 -21.441  -4.460
   68    H    VAL   9           H        VAL   9   0.957 -21.596 -12.406
   69    HA   VAL   9           HA       VAL   9  -1.717 -21.049 -13.159
   70    HB   VAL   9           HB       VAL   9  -1.884 -23.531 -13.507
   71   HG11  VAL   9          HG11      VAL   9  -1.024 -22.015 -15.264
   72   HG12  VAL   9          HG12      VAL   9   0.634 -22.263 -14.675
   73   HG13  VAL   9          HG13      VAL   9  -0.288 -23.621 -15.347
   74   HG21  VAL   9          HG21      VAL   9   1.018 -23.638 -12.553
   75   HG22  VAL   9          HG22      VAL   9  -0.379 -24.318 -11.690
   76   HG23  VAL   9          HG23      VAL   9   0.079 -24.958 -13.271
   77    HA   PRO  10           HA       PRO  10  -3.723 -21.252  -9.331
   78    HB2  PRO  10           HB2      PRO  10  -6.314 -21.797  -9.963
   79    HB3  PRO  10           HB3      PRO  10  -5.477 -20.294 -10.495
   80    HG2  PRO  10           HG2      PRO  10  -5.848 -22.842 -12.090
   81    HG3  PRO  10           HG3      PRO  10  -6.250 -21.159 -12.575
   82    HD2  PRO  10           HD2      PRO  10  -3.892 -22.290 -13.284
   83    HD3  PRO  10           HD3      PRO  10  -3.972 -20.575 -12.782
   84    H    GLU  11           H        GLU  11  -3.721 -24.192 -11.244
   85    HA   GLU  11           HA       GLU  11  -4.879 -26.021  -9.440
   86    HB2  GLU  11           HB2      GLU  11  -4.189 -26.387 -11.851
   87    HB3  GLU  11           HB3      GLU  11  -2.513 -26.452 -11.315
   88    HG2  GLU  11           HG2      GLU  11  -3.300 -28.695 -11.618
   89    HG3  GLU  11           HG3      GLU  11  -3.073 -28.445  -9.896
   90    H    GLN  12           H        GLN  12  -1.643 -24.490  -9.407
   91    HA   GLN  12           HA       GLN  12  -0.719 -26.316  -7.275
   92    HB2  GLN  12           HB2      GLN  12   0.607 -23.988  -8.692
   93    HB3  GLN  12           HB3      GLN  12   1.352 -24.985  -7.424
   94    HG2  GLN  12           HG2      GLN  12   1.085 -27.005  -8.834
   95    HG3  GLN  12           HG3      GLN  12   0.400 -26.011 -10.120
   96   HE21  GLN  12          HE22      GLN  12   2.038 -26.166 -11.705
   97   HE22  GLN  12          HE21      GLN  12   3.688 -25.674 -11.428
   98    H    TYR  13           H        TYR  13  -2.029 -23.009  -7.564
   99    HA   TYR  13           HA       TYR  13  -1.451 -22.097  -4.931
  100    HB2  TYR  13           HB2      TYR  13  -2.449 -20.707  -6.714
  101    HB3  TYR  13           HB3      TYR  13  -3.923 -21.650  -6.641
  102    HD1  TYR  13           HD2      TYR  13  -1.839 -19.155  -4.840
  103    HD2  TYR  13           HD1      TYR  13  -5.581 -21.305  -4.899
  104    HE1  TYR  13           HE2      TYR  13  -2.785 -17.533  -3.234
  105    HE2  TYR  13           HE1      TYR  13  -6.523 -19.709  -3.260
  106    HH   TYR  13           HH       TYR  13  -4.685 -16.853  -2.076
  107    H    GLN  14           H        GLN  14  -3.962 -24.292  -6.143
  108    HA   GLN  14           HA       GLN  14  -5.256 -24.675  -3.592
  109    HB2  GLN  14           HB2      GLN  14  -5.308 -26.185  -6.239
  110    HB3  GLN  14           HB3      GLN  14  -6.377 -26.560  -4.884
  111    HG2  GLN  14           HG2      GLN  14  -7.477 -24.445  -4.991
  112    HG3  GLN  14           HG3      GLN  14  -6.278 -23.762  -6.081
  113   HE21  GLN  14          HE22      GLN  14  -6.295 -24.273  -8.295
  114   HE22  GLN  14          HE21      GLN  14  -7.668 -25.070  -9.056
  115    H    GLN  15           H        GLN  15  -2.163 -25.365  -4.047
  116    HA   GLN  15           HA       GLN  15  -2.248 -27.903  -2.508
  117    HB2  GLN  15           HB2      GLN  15  -0.364 -27.250  -4.809
  118    HB3  GLN  15           HB3      GLN  15  -0.204 -28.626  -3.718
  119    HG2  GLN  15           HG2      GLN  15  -2.335 -29.560  -4.485
  120    HG3  GLN  15           HG3      GLN  15  -2.644 -28.144  -5.485
  121   HE21  GLN  15          HE22      GLN  15  -2.117 -28.310  -7.606
  122   HE22  GLN  15          HE21      GLN  15  -0.953 -29.449  -8.271
  123    H    GLU  16           H        GLU  16  -0.377 -24.955  -3.380
  124    HA   GLU  16           HA       GLU  16   0.181 -24.554  -0.553
  125    HB2  GLU  16           HB2      GLU  16   2.088 -25.986  -1.225
  126    HB3  GLU  16           HB3      GLU  16   2.491 -24.857  -2.526
  127    HG2  GLU  16           HG2      GLU  16   2.958 -23.084  -0.878
  128    HG3  GLU  16           HG3      GLU  16   2.458 -24.129   0.442
  129    H    HIS  17           H        HIS  17   0.342 -22.304  -0.148
  130    HA   HIS  17           HA       HIS  17   1.186 -20.480  -2.245
  131    HB2  HIS  17           HB2      HIS  17  -0.860 -19.053  -2.056
  132    HB3  HIS  17           HB3      HIS  17  -1.104 -20.581  -2.883
  133    HD1  HIS  17           HD1      HIS  17  -2.836 -22.287  -1.799
  134    HD2  HIS  17           HD2      HIS  17  -2.244 -18.658   0.236
  135    HE1  HIS  17           HE1      HIS  17  -4.693 -22.124  -0.069
  136    H    VAL  18           H        VAL  18   1.401 -18.250  -1.361
  137    HA   VAL  18           HA       VAL  18   2.375 -18.213   1.388
  138    HB   VAL  18           HB       VAL  18   1.925 -16.006  -0.681
  139   HG11  VAL  18          HG11      VAL  18   3.474 -14.658   0.767
  140   HG12  VAL  18          HG12      VAL  18   1.920 -14.985   1.533
  141   HG13  VAL  18          HG13      VAL  18   3.348 -15.923   2.014
  142   HG21  VAL  18          HG21      VAL  18   3.661 -17.587  -1.392
  143   HG22  VAL  18          HG22      VAL  18   4.401 -16.070  -0.900
  144   HG23  VAL  18          HG23      VAL  18   4.449 -17.478   0.194
  145    H    GLN  19           H        GLN  19   1.269 -17.501   3.167
  146    HA   GLN  19           HA       GLN  19  -1.491 -17.647   3.329
  147    HB2  GLN  19           HB2      GLN  19   0.162 -17.792   5.192
  148    HB3  GLN  19           HB3      GLN  19   0.412 -16.047   5.101
  149    HG2  GLN  19           HG2      GLN  19  -1.964 -15.676   5.716
  150    HG3  GLN  19           HG3      GLN  19  -2.240 -17.421   5.742
  151   HE21  GLN  19          HE22      GLN  19  -1.083 -18.719   7.423
  152   HE22  GLN  19          HE21      GLN  19  -0.573 -17.940   8.897
  153    H    GLY  20           H        GLY  20  -3.119 -16.382   2.683
  154    HA2  GLY  20           HA2      GLY  20  -4.411 -14.532   2.403
  155    HA3  GLY  20           HA3      GLY  20  -3.102 -13.529   3.038
  156    H    ALA  21           H        ALA  21  -1.718 -15.230   0.465
  157    HA   ALA  21           HA       ALA  21  -1.764 -12.908  -1.282
  158    HB1  ALA  21           HB1      ALA  21  -0.817 -15.769  -1.726
  159    HB2  ALA  21           HB2      ALA  21  -0.508 -14.392  -2.805
  160    HB3  ALA  21           HB3      ALA  21   0.189 -14.405  -1.168
  161    H    ILE  22           H        ILE  22  -2.683 -12.810  -3.371
  162    HA   ILE  22           HA       ILE  22  -5.129 -14.432  -3.817
  163    HB   ILE  22           HB       ILE  22  -4.297 -12.550  -5.960
  164   HG12  ILE  22          HG12      ILE  22  -4.995 -11.326  -3.268
  165   HG13  ILE  22          HG13      ILE  22  -3.508 -11.114  -4.209
  166   HG21  ILE  22          HG21      ILE  22  -6.487 -13.787  -5.796
  167   HG22  ILE  22          HG22      ILE  22  -6.904 -12.771  -4.401
  168   HG23  ILE  22          HG23      ILE  22  -6.664 -12.056  -6.012
  169   HD11  ILE  22          HD11      ILE  22  -4.798  -9.143  -4.497
  170   HD12  ILE  22          HD12      ILE  22  -4.873 -10.035  -6.030
  171   HD13  ILE  22          HD13      ILE  22  -6.258 -10.051  -4.911
  172    H    ASN  23           H        ASN  23  -5.305 -15.348  -6.118
  173    HA   ASN  23           HA       ASN  23  -2.705 -15.788  -7.447
  174    HB2  ASN  23           HB2      ASN  23  -3.162 -17.992  -6.615
  175    HB3  ASN  23           HB3      ASN  23  -4.858 -17.917  -7.113
  176   HD21  ASN  23          HD22      ASN  23  -1.648 -18.886  -8.110
  177   HD22  ASN  23          HD21      ASN  23  -1.978 -19.007  -9.828
  178    H    ILE  24           H        ILE  24  -2.750 -15.079  -9.413
  179    HA   ILE  24           HA       ILE  24  -5.224 -15.086 -10.938
  180    HB   ILE  24           HB       ILE  24  -3.602 -12.513 -10.874
  181   HG12  ILE  24          HG12      ILE  24  -6.315 -12.907  -9.562
  182   HG13  ILE  24          HG13      ILE  24  -4.784 -12.686  -8.704
  183   HG21  ILE  24          HG21      ILE  24  -6.241 -13.274 -12.146
  184   HG22  ILE  24          HG22      ILE  24  -5.428 -11.692 -12.276
  185   HG23  ILE  24          HG23      ILE  24  -4.674 -13.122 -12.969
  186   HD11  ILE  24          HD11      ILE  24  -5.935 -10.601  -8.687
  187   HD12  ILE  24          HD12      ILE  24  -4.516 -10.441  -9.735
  188   HD13  ILE  24          HD13      ILE  24  -6.139 -10.612 -10.442
  189    HA   PRO  25           HA       PRO  25  -1.555 -16.893 -12.786
  190    HB2  PRO  25           HB2      PRO  25  -2.589 -18.012 -15.060
  191    HB3  PRO  25           HB3      PRO  25  -2.906 -18.661 -13.413
  192    HG2  PRO  25           HG2      PRO  25  -4.679 -16.816 -15.033
  193    HG3  PRO  25           HG3      PRO  25  -5.130 -18.333 -14.189
  194    HD2  PRO  25           HD2      PRO  25  -5.496 -15.883 -13.044
  195    HD3  PRO  25           HD3      PRO  25  -5.003 -17.299 -12.067
  196    H    LEU  26           H        LEU  26  -0.056 -16.317 -14.435
  197    HA   LEU  26           HA       LEU  26   0.184 -13.676 -14.835
  198    HB2  LEU  26           HB2      LEU  26   1.969 -15.330 -15.024
  199    HB3  LEU  26           HB3      LEU  26   1.355 -15.871 -16.583
  200    HG   LEU  26           HG       LEU  26   1.989 -13.796 -17.652
  201   HD11  LEU  26          HD11      LEU  26   2.583 -12.801 -14.840
  202   HD12  LEU  26          HD12      LEU  26   3.265 -12.038 -16.298
  203   HD13  LEU  26          HD13      LEU  26   1.531 -12.069 -16.067
  204   HD21  LEU  26          HD21      LEU  26   3.752 -15.516 -17.273
  205   HD22  LEU  26          HD22      LEU  26   4.422 -13.882 -17.338
  206   HD23  LEU  26          HD23      LEU  26   4.228 -14.693 -15.771
  207    H    LYS  27           H        LYS  27  -1.286 -15.813 -17.292
  208    HA   LYS  27           HA       LYS  27  -1.566 -13.955 -19.381
  209    HB2  LYS  27           HB2      LYS  27  -1.918 -16.396 -19.566
  210    HB3  LYS  27           HB3      LYS  27  -3.384 -16.275 -18.578
  211    HG2  LYS  27           HG2      LYS  27  -4.467 -14.893 -20.297
  212    HG3  LYS  27           HG3      LYS  27  -2.972 -14.884 -21.260
  213    HD2  LYS  27           HD2      LYS  27  -3.133 -17.348 -21.520
  214    HD3  LYS  27           HD3      LYS  27  -4.622 -17.354 -20.546
  215    HE2  LYS  27           HE2      LYS  27  -5.711 -15.865 -22.215
  216    HE3  LYS  27           HE3      LYS  27  -4.231 -15.857 -23.181
  217    HZ1  LYS  27           HZ1      LYS  27  -5.874 -18.256 -22.605
  218    HZ2  LYS  27           HZ2      LYS  27  -5.826 -17.456 -24.022
  219    HZ3  LYS  27           HZ3      LYS  27  -4.504 -18.248 -23.498
  220    H    GLU  28           H        GLU  28  -3.621 -14.479 -16.484
  221    HA   GLU  28           HA       GLU  28  -5.602 -12.512 -17.413
  222    HB2  GLU  28           HB2      GLU  28  -5.425 -14.512 -15.209
  223    HB3  GLU  28           HB3      GLU  28  -6.110 -12.960 -14.733
  224    HG2  GLU  28           HG2      GLU  28  -7.747 -13.035 -16.535
  225    HG3  GLU  28           HG3      GLU  28  -7.102 -14.594 -17.083
  226    H    VAL  29           H        VAL  29  -3.006 -12.751 -14.945
  227    HA   VAL  29           HA       VAL  29  -3.747 -10.513 -13.518
  228    HB   VAL  29           HB       VAL  29  -1.895 -12.297 -13.131
  229   HG11  VAL  29          HG11      VAL  29  -0.313 -11.485 -14.881
  230   HG12  VAL  29          HG12      VAL  29  -0.046 -10.025 -13.920
  231   HG13  VAL  29          HG13      VAL  29   0.389 -11.613 -13.266
  232   HG21  VAL  29          HG21      VAL  29  -1.501  -9.474 -12.043
  233   HG22  VAL  29          HG22      VAL  29  -2.739 -10.596 -11.463
  234   HG23  VAL  29          HG23      VAL  29  -1.022 -10.993 -11.262
  235    H    LYS  30           H        LYS  30  -1.735 -10.567 -16.398
  236    HA   LYS  30           HA       LYS  30  -0.915  -7.872 -16.419
  237    HB2  LYS  30           HB2      LYS  30  -0.105  -9.674 -17.976
  238    HB3  LYS  30           HB3      LYS  30  -1.689  -9.716 -18.748
  239    HG2  LYS  30           HG2      LYS  30  -1.399  -7.338 -19.458
  240    HG3  LYS  30           HG3      LYS  30   0.199  -7.307 -18.704
  241    HD2  LYS  30           HD2      LYS  30   1.074  -8.868 -20.295
  242    HD3  LYS  30           HD3      LYS  30  -0.531  -9.337 -20.872
  243    HE2  LYS  30           HE2      LYS  30   0.490  -6.480 -21.109
  244    HE3  LYS  30           HE3      LYS  30   0.866  -7.699 -22.331
  245    HZ1  LYS  30           HZ1      LYS  30  -1.932  -7.014 -21.564
  246    HZ2  LYS  30           HZ2      LYS  30  -1.129  -6.364 -22.841
  247    HZ3  LYS  30           HZ3      LYS  30  -1.438  -7.960 -22.799
  248    H    GLU  31           H        GLU  31  -4.128  -9.114 -17.256
  249    HA   GLU  31           HA       GLU  31  -4.908  -6.322 -17.993
  250    HB2  GLU  31           HB2      GLU  31  -6.445  -8.938 -18.199
  251    HB3  GLU  31           HB3      GLU  31  -7.000  -7.357 -18.758
  252    HG2  GLU  31           HG2      GLU  31  -4.688  -9.013 -19.855
  253    HG3  GLU  31           HG3      GLU  31  -6.213  -8.659 -20.650
  254    H    ARG  32           H        ARG  32  -5.667  -8.995 -15.779
  255    HA   ARG  32           HA       ARG  32  -7.835  -7.683 -14.519
  256    HB2  ARG  32           HB2      ARG  32  -7.541 -10.120 -14.728
  257    HB3  ARG  32           HB3      ARG  32  -6.186 -10.066 -13.590
  258    HG2  ARG  32           HG2      ARG  32  -7.610  -9.447 -11.774
  259    HG3  ARG  32           HG3      ARG  32  -8.975  -9.078 -12.847
  260    HD2  ARG  32           HD2      ARG  32  -9.380 -11.363 -13.337
  261    HD3  ARG  32           HD3      ARG  32  -7.778 -11.855 -12.787
  262    HE   ARG  32           HE       ARG  32  -9.369 -10.681 -10.670
  263   HH11  ARG  32          HH11      ARG  32  -8.878 -13.725 -12.480
  264   HH12  ARG  32          HH12      ARG  32  -9.274 -14.728 -11.124
  265   HH21  ARG  32          HH21      ARG  32  -9.928 -12.040  -8.901
  266   HH22  ARG  32          HH22      ARG  32  -9.913 -13.752  -9.071
  267    H    ILE  33           H        ILE  33  -4.366  -7.523 -13.773
  268    HA   ILE  33           HA       ILE  33  -4.649  -6.724 -11.077
  269    HB   ILE  33           HB       ILE  33  -2.478  -7.320 -12.211
  270   HG12  ILE  33          HG12      ILE  33  -1.116  -5.521 -10.945
  271   HG13  ILE  33          HG13      ILE  33  -2.659  -4.863 -10.421
  272   HG21  ILE  33          HG21      ILE  33  -2.466  -4.438 -13.178
  273   HG22  ILE  33          HG22      ILE  33  -1.184  -5.633 -13.352
  274   HG23  ILE  33          HG23      ILE  33  -2.703  -5.848 -14.223
  275   HD11  ILE  33          HD11      ILE  33  -1.670  -7.716  -9.972
  276   HD12  ILE  33          HD12      ILE  33  -1.728  -6.416  -8.770
  277   HD13  ILE  33          HD13      ILE  33  -3.237  -7.082  -9.422
  278    H    ALA  34           H        ALA  34  -5.094  -4.895 -14.115
  279    HA   ALA  34           HA       ALA  34  -5.170  -2.331 -12.962
  280    HB1  ALA  34           HB1      ALA  34  -6.849  -3.378 -15.287
  281    HB2  ALA  34           HB2      ALA  34  -6.479  -1.676 -14.946
  282    HB3  ALA  34           HB3      ALA  34  -5.173  -2.784 -15.417
  283    H    THR  35           H        THR  35  -7.642  -4.854 -12.906
  284    HA   THR  35           HA       THR  35  -9.659  -3.085 -11.732
  285    HB   THR  35           HB       THR  35  -9.698  -6.115 -12.025
  286    HG1  THR  35           HG1      THR  35 -10.538  -5.813 -14.059
  287   HG21  THR  35          HG21      THR  35 -12.148  -5.779 -12.228
  288   HG22  THR  35          HG22      THR  35 -11.546  -5.154 -10.688
  289   HG23  THR  35          HG23      THR  35 -11.931  -4.026 -12.006
  290    H    ALA  36           H        ALA  36  -7.393  -5.647 -10.742
  291    HA   ALA  36           HA       ALA  36  -8.548  -5.959  -8.108
  292    HB1  ALA  36           HB1      ALA  36  -7.409  -7.800  -9.323
  293    HB2  ALA  36           HB2      ALA  36  -5.866  -6.921  -9.198
  294    HB3  ALA  36           HB3      ALA  36  -6.677  -7.504  -7.734
  295    H    VAL  37           H        VAL  37  -5.829  -4.126  -9.411
  296    HA   VAL  37           HA       VAL  37  -5.377  -2.729  -6.852
  297    HB   VAL  37           HB       VAL  37  -3.090  -3.882  -8.503
  298   HG11  VAL  37          HG11      VAL  37  -1.764  -3.325  -6.520
  299   HG12  VAL  37          HG12      VAL  37  -2.554  -1.894  -7.172
  300   HG13  VAL  37          HG13      VAL  37  -3.210  -2.668  -5.714
  301   HG21  VAL  37          HG21      VAL  37  -4.278  -5.090  -5.989
  302   HG22  VAL  37          HG22      VAL  37  -4.156  -5.833  -7.605
  303   HG23  VAL  37          HG23      VAL  37  -2.693  -5.506  -6.689
  304    HA   PRO  38           HA       PRO  38  -5.819  -0.092 -10.683
  305    HB2  PRO  38           HB2      PRO  38  -6.990   1.758  -8.617
  306    HB3  PRO  38           HB3      PRO  38  -7.566   1.412 -10.274
  307    HG2  PRO  38           HG2      PRO  38  -8.802   0.360  -8.080
  308    HG3  PRO  38           HG3      PRO  38  -8.597  -0.605  -9.581
  309    HD2  PRO  38           HD2      PRO  38  -6.970  -0.708  -7.037
  310    HD3  PRO  38           HD3      PRO  38  -7.560  -2.041  -8.071
  311    H    ASP  39           H        ASP  39  -4.634   0.572  -7.393
  312    HA   ASP  39           HA       ASP  39  -3.150   2.962  -8.032
  313    HB2  ASP  39           HB2      ASP  39  -3.893   2.545  -5.772
  314    HB3  ASP  39           HB3      ASP  39  -2.982   1.034  -5.695
  315    H    LYS  40           H        LYS  40  -1.724   2.708  -9.696
  316    HA   LYS  40           HA       LYS  40  -0.101   0.436 -10.129
  317    HB2  LYS  40           HB2      LYS  40   0.119   3.317 -11.089
  318    HB3  LYS  40           HB3      LYS  40   1.233   2.058 -11.594
  319    HG2  LYS  40           HG2      LYS  40  -0.872   0.670 -12.232
  320    HG3  LYS  40           HG3      LYS  40  -1.757   2.195 -12.101
  321    HD2  LYS  40           HD2      LYS  40  -0.230   3.185 -13.821
  322    HD3  LYS  40           HD3      LYS  40   0.624   1.626 -13.920
  323    HE2  LYS  40           HE2      LYS  40  -1.548   0.524 -14.541
  324    HE3  LYS  40           HE3      LYS  40  -2.311   2.119 -14.576
  325    HZ1  LYS  40           HZ1      LYS  40  -1.644   1.457 -16.779
  326    HZ2  LYS  40           HZ2      LYS  40  -0.722   2.727 -16.342
  327    HZ3  LYS  40           HZ3      LYS  40  -0.094   1.205 -16.330
  328    H    ASN  41           H        ASN  41   0.292   2.769  -7.630
  329    HA   ASN  41           HA       ASN  41   3.211   2.232  -7.434
  330    HB2  ASN  41           HB2      ASN  41   1.993   4.603  -7.274
  331    HB3  ASN  41           HB3      ASN  41   1.737   4.110  -5.603
  332   HD21  ASN  41          HD22      ASN  41   4.028   3.026  -4.698
  333   HD22  ASN  41          HD21      ASN  41   5.390   4.110  -4.934
  334    H    ASP  42           H        ASP  42   0.485   0.575  -6.541
  335    HA   ASP  42           HA       ASP  42   1.068  -0.009  -3.751
  336    HB2  ASP  42           HB2      ASP  42  -1.069  -0.647  -5.026
  337    HB3  ASP  42           HB3      ASP  42  -0.072  -1.932  -5.769
  338    H    THR  43           H        THR  43   2.405  -1.730  -2.950
  339    HA   THR  43           HA       THR  43   4.492  -2.631  -4.733
  340    HB   THR  43           HB       THR  43   4.045  -3.474  -1.865
  341    HG1  THR  43           HG1      THR  43   4.304  -1.373  -1.742
  342   HG21  THR  43          HG21      THR  43   6.474  -3.955  -2.036
  343   HG22  THR  43          HG22      THR  43   5.500  -4.908  -3.173
  344   HG23  THR  43          HG23      THR  43   6.415  -3.517  -3.772
  345    H    VAL  44           H        VAL  44   3.233  -3.674  -6.301
  346    HA   VAL  44           HA       VAL  44   1.712  -6.074  -5.669
  347    HB   VAL  44           HB       VAL  44   2.831  -5.166  -8.364
  348   HG11  VAL  44          HG11      VAL  44   2.088  -7.565  -8.258
  349   HG12  VAL  44          HG12      VAL  44   0.497  -7.012  -7.693
  350   HG13  VAL  44          HG13      VAL  44   1.062  -6.581  -9.310
  351   HG21  VAL  44          HG21      VAL  44   0.506  -4.302  -8.766
  352   HG22  VAL  44          HG22      VAL  44   0.134  -4.595  -7.053
  353   HG23  VAL  44          HG23      VAL  44   1.360  -3.397  -7.516
  354    H    LYS  45           H        LYS  45   3.014  -7.435  -4.442
  355    HA   LYS  45           HA       LYS  45   5.660  -8.275  -5.346
  356    HB2  LYS  45           HB2      LYS  45   3.745  -9.577  -3.381
  357    HB3  LYS  45           HB3      LYS  45   5.393 -10.073  -3.648
  358    HG2  LYS  45           HG2      LYS  45   5.036  -7.197  -2.887
  359    HG3  LYS  45           HG3      LYS  45   4.499  -8.370  -1.695
  360    HD2  LYS  45           HD2      LYS  45   6.780  -9.486  -1.877
  361    HD3  LYS  45           HD3      LYS  45   7.293  -8.095  -2.864
  362    HE2  LYS  45           HE2      LYS  45   6.609  -6.572  -0.993
  363    HE3  LYS  45           HE3      LYS  45   6.126  -7.981  -0.037
  364    HZ1  LYS  45           HZ1      LYS  45   8.309  -7.248   0.595
  365    HZ2  LYS  45           HZ2      LYS  45   8.476  -8.705  -0.130
  366    HZ3  LYS  45           HZ3      LYS  45   8.866  -7.321  -0.939
  367    H    VAL  46           H        VAL  46   6.039 -10.041  -6.693
  368    HA   VAL  46           HA       VAL  46   3.683 -11.681  -7.519
  369    HB   VAL  46           HB       VAL  46   4.628 -11.792  -9.793
  370   HG11  VAL  46          HG11      VAL  46   2.775 -10.235  -9.192
  371   HG12  VAL  46          HG12      VAL  46   3.970  -8.941  -8.940
  372   HG13  VAL  46          HG13      VAL  46   3.758  -9.662 -10.548
  373   HG21  VAL  46          HG21      VAL  46   6.980 -11.111  -9.371
  374   HG22  VAL  46          HG22      VAL  46   6.215 -10.113 -10.609
  375   HG23  VAL  46          HG23      VAL  46   6.431  -9.466  -8.974
  376    H    TYR  47           H        TYR  47   3.976 -13.865  -7.542
  377    HA   TYR  47           HA       TYR  47   6.687 -14.960  -7.468
  378    HB2  TYR  47           HB2      TYR  47   6.520 -16.140  -5.498
  379    HB3  TYR  47           HB3      TYR  47   6.036 -14.513  -5.066
  380    HD1  TYR  47           HD2      TYR  47   3.570 -14.011  -4.669
  381    HD2  TYR  47           HD1      TYR  47   5.076 -18.019  -5.198
  382    HE1  TYR  47           HE2      TYR  47   1.545 -14.915  -3.585
  383    HE2  TYR  47           HE1      TYR  47   3.027 -18.931  -4.151
  384    HH   TYR  47           HH       TYR  47   0.371 -16.853  -2.986
  385    H    CYS  48           H        CYS  48   6.539 -17.438  -7.524
  386    HA   CYS  48           HA       CYS  48   4.154 -18.710  -8.349
  387    HB2  CYS  48           HB2      CYS  48   4.903 -19.445 -10.584
  388    HB3  CYS  48           HB3      CYS  48   4.793 -17.686 -10.527
  389    HG   CYS  48           HG       CYS  48   7.332 -17.272 -10.004
  390    H    ASN  49           H        ASN  49   5.764 -20.995  -9.497
  391    HA   ASN  49           HA       ASN  49   6.464 -22.110  -6.878
  392    HB2  ASN  49           HB2      ASN  49   5.257 -23.381  -8.675
  393    HB3  ASN  49           HB3      ASN  49   6.713 -23.380  -9.653
  394   HD21  ASN  49          HD22      ASN  49   5.045 -25.547  -8.206
  395   HD22  ASN  49          HD21      ASN  49   6.249 -26.466  -7.321
  396    H    ALA  50           H        ALA  50   8.241 -21.871  -9.998
  397    HA   ALA  50           HA       ALA  50  10.764 -22.300  -8.596
  398    HB1  ALA  50           HB1      ALA  50  11.671 -22.543 -10.871
  399    HB2  ALA  50           HB2      ALA  50  10.216 -23.531 -10.656
  400    HB3  ALA  50           HB3      ALA  50  10.128 -22.003 -11.565
  401    H    GLY  51           H        GLY  51   9.060 -19.511  -9.852
  402    HA2  GLY  51           HA2      GLY  51   9.747 -17.325  -9.209
  403    HA3  GLY  51           HA3      GLY  51  11.441 -17.801  -9.323
  404    H    ARG  52           H        ARG  52  10.594 -19.223 -12.036
  405    HA   ARG  52           HA       ARG  52  11.543 -17.072 -13.639
  406    HB2  ARG  52           HB2      ARG  52  11.283 -18.544 -15.550
  407    HB3  ARG  52           HB3      ARG  52  12.052 -19.357 -14.196
  408    HG2  ARG  52           HG2      ARG  52   9.853 -20.497 -13.680
  409    HG3  ARG  52           HG3      ARG  52   9.153 -19.697 -15.094
  410    HD2  ARG  52           HD2      ARG  52   9.739 -21.932 -15.711
  411    HD3  ARG  52           HD3      ARG  52  10.822 -20.811 -16.554
  412    HE   ARG  52           HE       ARG  52  12.069 -21.612 -14.133
  413   HH11  ARG  52          HH11      ARG  52  11.126 -23.048 -17.238
  414   HH12  ARG  52          HH12      ARG  52  12.362 -24.249 -17.223
  415   HH21  ARG  52          HH21      ARG  52  13.725 -23.213 -14.110
  416   HH22  ARG  52          HH22      ARG  52  13.869 -24.340 -15.402
  417    H    GLN  53           H        GLN  53   8.187 -18.310 -13.226
  418    HA   GLN  53           HA       GLN  53   7.201 -16.656 -15.366
  419    HB2  GLN  53           HB2      GLN  53   6.181 -18.802 -14.448
  420    HB3  GLN  53           HB3      GLN  53   5.523 -17.833 -13.116
  421    HG2  GLN  53           HG2      GLN  53   4.077 -16.649 -14.531
  422    HG3  GLN  53           HG3      GLN  53   5.015 -17.044 -15.980
  423   HE21  GLN  53          HE22      GLN  53   2.202 -17.979 -14.165
  424   HE22  GLN  53          HE21      GLN  53   1.946 -19.479 -15.021
  425    H    SER  54           H        SER  54   7.492 -16.199 -11.793
  426    HA   SER  54           HA       SER  54   6.188 -13.636 -11.783
  427    HB2  SER  54           HB2      SER  54   7.629 -13.510  -9.578
  428    HB3  SER  54           HB3      SER  54   6.214 -14.559  -9.725
  429    HG   SER  54           HG       SER  54   8.334 -15.483  -8.868
  430    H    GLY  55           H        GLY  55   9.556 -14.720 -12.381
  431    HA2  GLY  55           HA2      GLY  55  10.817 -12.187 -12.424
  432    HA3  GLY  55           HA3      GLY  55  11.278 -13.605 -13.389
  433    H    GLN  56           H        GLN  56   9.253 -14.030 -15.120
  434    HA   GLN  56           HA       GLN  56   9.455 -11.915 -17.003
  435    HB2  GLN  56           HB2      GLN  56   9.029 -14.303 -17.565
  436    HB3  GLN  56           HB3      GLN  56   7.414 -14.179 -16.855
  437    HG2  GLN  56           HG2      GLN  56   7.334 -14.062 -19.295
  438    HG3  GLN  56           HG3      GLN  56   6.724 -12.595 -18.557
  439   HE21  GLN  56          HE22      GLN  56   8.063 -10.611 -18.666
  440   HE22  GLN  56          HE21      GLN  56   9.268 -10.468 -19.930
  441    H    ALA  57           H        ALA  57   6.867 -12.741 -14.649
  442    HA   ALA  57           HA       ALA  57   4.984 -10.838 -15.469
  443    HB1  ALA  57           HB1      ALA  57   4.604 -12.693 -13.825
  444    HB2  ALA  57           HB2      ALA  57   5.457 -11.722 -12.598
  445    HB3  ALA  57           HB3      ALA  57   3.955 -11.121 -13.313
  446    H    LYS  58           H        LYS  58   7.777 -10.415 -13.203
  447    HA   LYS  58           HA       LYS  58   7.062  -7.856 -12.334
  448    HB2  LYS  58           HB2      LYS  58   8.835  -8.796 -11.177
  449    HB3  LYS  58           HB3      LYS  58   9.772  -9.148 -12.643
  450    HG2  LYS  58           HG2      LYS  58  10.293  -6.861 -13.009
  451    HG3  LYS  58           HG3      LYS  58   9.120  -6.287 -11.832
  452    HD2  LYS  58           HD2      LYS  58  10.417  -6.967  -9.994
  453    HD3  LYS  58           HD3      LYS  58  11.529  -7.936 -10.999
  454    HE2  LYS  58           HE2      LYS  58  11.177  -4.919 -11.291
  455    HE3  LYS  58           HE3      LYS  58  12.399  -5.649 -10.246
  456    HZ1  LYS  58           HZ1      LYS  58  13.280  -5.082 -12.430
  457    HZ2  LYS  58           HZ2      LYS  58  13.395  -6.683 -12.172
  458    HZ3  LYS  58           HZ3      LYS  58  12.255  -6.101 -13.195
  459    H    GLU  59           H        GLU  59   8.776  -8.852 -15.325
  460    HA   GLU  59           HA       GLU  59   9.378  -6.110 -16.071
  461    HB2  GLU  59           HB2      GLU  59   9.486  -8.707 -17.666
  462    HB3  GLU  59           HB3      GLU  59  10.106  -7.150 -18.221
  463    HG2  GLU  59           HG2      GLU  59  11.100  -8.721 -15.800
  464    HG3  GLU  59           HG3      GLU  59  11.908  -8.581 -17.352
  465    H    ILE  60           H        ILE  60   6.862  -8.508 -16.913
  466    HA   ILE  60           HA       ILE  60   5.483  -6.981 -18.869
  467    HB   ILE  60           HB       ILE  60   4.739  -9.160 -16.909
  468   HG12  ILE  60          HG12      ILE  60   4.707  -9.092 -19.957
  469   HG13  ILE  60          HG13      ILE  60   6.115  -9.566 -19.013
  470   HG21  ILE  60          HG21      ILE  60   2.498  -9.358 -17.941
  471   HG22  ILE  60          HG22      ILE  60   2.690  -7.874 -17.033
  472   HG23  ILE  60          HG23      ILE  60   2.786  -7.828 -18.811
  473   HD11  ILE  60          HD11      ILE  60   3.439 -11.022 -19.044
  474   HD12  ILE  60          HD12      ILE  60   4.966 -11.551 -19.754
  475   HD13  ILE  60          HD13      ILE  60   4.820 -11.427 -17.991
  476    H    LEU  61           H        LEU  61   5.071  -7.015 -15.262
  477    HA   LEU  61           HA       LEU  61   3.031  -4.994 -15.409
  478    HB2  LEU  61           HB2      LEU  61   4.712  -5.989 -13.093
  479    HB3  LEU  61           HB3      LEU  61   3.396  -4.819 -12.940
  480    HG   LEU  61           HG       LEU  61   3.143  -7.724 -13.818
  481   HD11  LEU  61          HD11      LEU  61   1.821  -7.929 -11.762
  482   HD12  LEU  61          HD12      LEU  61   3.436  -7.302 -11.392
  483   HD13  LEU  61          HD13      LEU  61   2.045  -6.197 -11.424
  484   HD21  LEU  61          HD21      LEU  61   0.656  -7.270 -13.789
  485   HD22  LEU  61          HD22      LEU  61   1.043  -5.531 -13.780
  486   HD23  LEU  61          HD23      LEU  61   1.512  -6.562 -15.153
  487    H    SER  62           H        SER  62   6.556  -4.822 -15.180
  488    HA   SER  62           HA       SER  62   6.675  -2.017 -14.551
  489    HB2  SER  62           HB2      SER  62   8.657  -3.736 -16.102
  490    HB3  SER  62           HB3      SER  62   8.972  -2.156 -15.370
  491    HG   SER  62           HG       SER  62   8.276  -4.581 -14.037
  492    H    GLU  63           H        GLU  63   6.492  -3.840 -17.691
  493    HA   GLU  63           HA       GLU  63   6.489  -1.491 -19.315
  494    HB2  GLU  63           HB2      GLU  63   5.530  -4.340 -19.777
  495    HB3  GLU  63           HB3      GLU  63   5.431  -3.100 -21.020
  496    HG2  GLU  63           HG2      GLU  63   8.029  -3.937 -19.659
  497    HG3  GLU  63           HG3      GLU  63   7.443  -4.585 -21.184
  498    H    MET  64           H        MET  64   3.878  -3.254 -17.644
  499    HA   MET  64           HA       MET  64   1.696  -1.681 -18.685
  500    HB2  MET  64           HB2      MET  64   2.044  -3.253 -16.108
  501    HB3  MET  64           HB3      MET  64   0.554  -2.464 -16.539
  502    HG2  MET  64           HG2      MET  64   1.886  -4.503 -18.359
  503    HG3  MET  64           HG3      MET  64   0.761  -4.952 -17.084
  504    HE1  MET  64           HE1      MET  64  -1.563  -4.262 -16.846
  505    HE2  MET  64           HE2      MET  64  -1.573  -2.542 -17.303
  506    HE3  MET  64           HE3      MET  64  -2.641  -3.688 -18.142
  507    H    GLY  65           H        GLY  65   4.329  -0.701 -16.733
  508    HA2  GLY  65           HA2      GLY  65   4.763   1.424 -16.038
  509    HA3  GLY  65           HA3      GLY  65   3.088   1.896 -16.356
  510    H    TYR  66           H        TYR  66   3.547  -0.943 -14.296
  511    HA   TYR  66           HA       TYR  66   2.558   0.509 -11.948
  512    HB2  TYR  66           HB2      TYR  66   3.412  -2.340 -12.456
  513    HB3  TYR  66           HB3      TYR  66   3.253  -1.708 -10.822
  514    HD1  TYR  66           HD1      TYR  66   1.255  -1.848 -14.032
  515    HD2  TYR  66           HD2      TYR  66   1.217  -1.930  -9.717
  516    HE1  TYR  66           HE1      TYR  66  -1.211  -2.094 -14.059
  517    HE2  TYR  66           HE2      TYR  66  -1.244  -2.215  -9.740
  518    HH   TYR  66           HH       TYR  66  -3.155  -2.124 -11.034
  519    H    THR  67           H        THR  67   3.802   1.476 -10.416
  520    HA   THR  67           HA       THR  67   6.618   1.863 -11.169
  521    HB   THR  67           HB       THR  67   6.271   3.873  -9.606
  522    HG1  THR  67           HG1      THR  67   4.195   4.350  -9.062
  523   HG21  THR  67          HG21      THR  67   6.124   4.013 -12.104
  524   HG22  THR  67          HG22      THR  67   4.383   3.669 -11.994
  525   HG23  THR  67          HG23      THR  67   5.047   5.153 -11.281
  526    H    HIS  68           H        HIS  68   4.972  -0.042  -8.892
  527    HA   HIS  68           HA       HIS  68   7.404  -0.154  -7.210
  528    HB2  HIS  68           HB2      HIS  68   5.057   1.152  -6.432
  529    HB3  HIS  68           HB3      HIS  68   4.869  -0.425  -5.695
  530    HD1  HIS  68           HD1      HIS  68   6.101  -0.626  -3.357
  531    HD2  HIS  68           HD2      HIS  68   7.479   2.450  -5.891
  532    HE1  HIS  68           HE1      HIS  68   7.827   0.677  -2.024
  533    H    VAL  69           H        VAL  69   6.566  -1.853  -9.338
  534    HA   VAL  69           HA       VAL  69   5.526  -4.368  -8.399
  535    HB   VAL  69           HB       VAL  69   7.567  -3.801 -10.608
  536   HG11  VAL  69          HG11      VAL  69   7.526  -6.186 -10.081
  537   HG12  VAL  69          HG12      VAL  69   5.741  -6.201 -10.123
  538   HG13  VAL  69          HG13      VAL  69   6.677  -5.895 -11.602
  539   HG21  VAL  69          HG21      VAL  69   4.531  -3.980 -10.787
  540   HG22  VAL  69          HG22      VAL  69   5.523  -2.519 -11.028
  541   HG23  VAL  69          HG23      VAL  69   5.660  -3.849 -12.161
  542    H    GLU  70           H        GLU  70   6.620  -6.097  -7.373
  543    HA   GLU  70           HA       GLU  70   9.545  -5.864  -7.087
  544    HB2  GLU  70           HB2      GLU  70   8.544  -4.814  -5.067
  545    HB3  GLU  70           HB3      GLU  70   7.704  -6.330  -4.695
  546    HG2  GLU  70           HG2      GLU  70   9.775  -7.500  -4.391
  547    HG3  GLU  70           HG3      GLU  70  10.713  -6.204  -5.140
  548    H    ASN  71           H        ASN  71  10.433  -7.751  -7.660
  549    HA   ASN  71           HA       ASN  71   8.734 -10.117  -8.084
  550    HB2  ASN  71           HB2      ASN  71  10.581  -9.585  -9.669
  551    HB3  ASN  71           HB3      ASN  71  11.757  -9.739  -8.351
  552   HD21  ASN  71          HD22      ASN  71   9.352 -11.497 -10.357
  553   HD22  ASN  71          HD21      ASN  71   9.981 -13.087  -9.954
  554    H    ALA  72           H        ALA  72   8.485 -11.732  -6.569
  555    HA   ALA  72           HA       ALA  72  10.105 -11.527  -4.079
  556    HB1  ALA  72           HB1      ALA  72   7.322 -12.674  -4.507
  557    HB2  ALA  72           HB2      ALA  72   8.180 -12.510  -2.962
  558    HB3  ALA  72           HB3      ALA  72   7.688 -11.061  -3.854
  559    H    GLY  73           H        GLY  73  10.589 -13.123  -6.771
  560    HA2  GLY  73           HA2      GLY  73  11.683 -15.081  -7.243
  561    HA3  GLY  73           HA3      GLY  73  11.752 -15.438  -5.508
  562    H    GLY  74           H        GLY  74  10.818 -17.417  -5.188
  563    HA2  GLY  74           HA2      GLY  74   8.068 -17.843  -5.991
  564    HA3  GLY  74           HA3      GLY  74   9.220 -18.951  -6.758
  565    H    LEU  75           H        LEU  75   7.362 -20.033  -5.203
  566    HA   LEU  75           HA       LEU  75   7.556 -19.976  -2.440
  567    HB2  LEU  75           HB2      LEU  75   6.686 -22.195  -4.327
  568    HB3  LEU  75           HB3      LEU  75   6.538 -22.353  -2.586
  569    HG   LEU  75           HG       LEU  75   5.197 -20.163  -4.214
  570   HD11  LEU  75          HD11      LEU  75   4.110 -22.735  -2.997
  571   HD12  LEU  75          HD12      LEU  75   3.132 -21.458  -3.748
  572   HD13  LEU  75          HD13      LEU  75   4.299 -22.374  -4.723
  573   HD21  LEU  75          HD21      LEU  75   3.838 -19.858  -2.112
  574   HD22  LEU  75          HD22      LEU  75   4.936 -20.969  -1.286
  575   HD23  LEU  75          HD23      LEU  75   5.528 -19.403  -1.903
  576    H    LYS  76           H        LYS  76   9.697 -21.753  -4.600
  577    HA   LYS  76           HA       LYS  76  10.659 -23.553  -2.650
  578    HB2  LYS  76           HB2      LYS  76  12.246 -24.213  -4.188
  579    HB3  LYS  76           HB3      LYS  76  10.997 -23.579  -5.237
  580    HG2  LYS  76           HG2      LYS  76  13.613 -22.211  -4.454
  581    HG3  LYS  76           HG3      LYS  76  13.259 -22.995  -5.983
  582    HD2  LYS  76           HD2      LYS  76  11.630 -21.264  -6.576
  583    HD3  LYS  76           HD3      LYS  76  11.783 -20.528  -4.985
  584    HE2  LYS  76           HE2      LYS  76  13.090 -19.182  -6.420
  585    HE3  LYS  76           HE3      LYS  76  14.211 -20.098  -5.412
  586    HZ1  LYS  76           HZ1      LYS  76  14.946 -20.094  -7.680
  587    HZ2  LYS  76           HZ2      LYS  76  14.498 -21.623  -7.337
  588    HZ3  LYS  76           HZ3      LYS  76  13.520 -20.646  -8.240
  589    H    ASP  77           H        ASP  77  11.234 -20.172  -2.859
  590    HA   ASP  77           HA       ASP  77  13.506 -20.383  -0.918
  591    HB2  ASP  77           HB2      ASP  77  14.291 -19.794  -3.167
  592    HB3  ASP  77           HB3      ASP  77  13.134 -18.463  -3.243
  593    H    ILE  78           H        ILE  78  10.377 -19.087  -1.611
  594    HA   ILE  78           HA       ILE  78  10.489 -16.762   0.112
  595    HB   ILE  78           HB       ILE  78   8.221 -18.476  -0.967
  596   HG12  ILE  78          HG12      ILE  78   9.004 -15.577  -1.532
  597   HG13  ILE  78          HG13      ILE  78   9.557 -16.931  -2.500
  598   HG21  ILE  78          HG21      ILE  78   6.656 -16.702  -0.143
  599   HG22  ILE  78          HG22      ILE  78   7.396 -17.608   1.156
  600   HG23  ILE  78          HG23      ILE  78   7.991 -15.966   0.751
  601   HD11  ILE  78          HD11      ILE  78   7.739 -15.929  -3.637
  602   HD12  ILE  78          HD12      ILE  78   7.168 -17.499  -3.037
  603   HD13  ILE  78          HD13      ILE  78   6.682 -15.991  -2.226
  604    H    ALA  79           H        ALA  79  10.325 -16.650   2.291
  605    HA   ALA  79           HA       ALA  79   9.700 -19.114   3.824
  606    HB1  ALA  79           HB1      ALA  79  11.713 -16.932   4.545
  607    HB2  ALA  79           HB2      ALA  79  11.365 -18.396   5.490
  608    HB3  ALA  79           HB3      ALA  79  12.129 -18.538   3.898
  609    H    MET  80           H        MET  80   7.972 -17.022   2.886
  610    HA   MET  80           HA       MET  80   6.927 -15.618   5.262
  611    HB2  MET  80           HB2      MET  80   5.797 -16.104   2.463
  612    HB3  MET  80           HB3      MET  80   4.946 -15.224   3.722
  613    HG2  MET  80           HG2      MET  80   7.650 -14.416   2.593
  614    HG3  MET  80           HG3      MET  80   6.105 -13.767   2.061
  615    HE1  MET  80           HE1      MET  80   4.364 -13.135   4.557
  616    HE2  MET  80           HE2      MET  80   4.919 -11.490   4.922
  617    HE3  MET  80           HE3      MET  80   4.713 -11.999   3.233
  618    HA   PRO  81           HA       PRO  81   4.523 -19.108   6.751
  619    HB2  PRO  81           HB2      PRO  81   2.119 -17.283   6.556
  620    HB3  PRO  81           HB3      PRO  81   2.604 -18.367   7.895
  621    HG2  PRO  81           HG2      PRO  81   3.086 -15.705   8.045
  622    HG3  PRO  81           HG3      PRO  81   4.349 -16.871   8.559
  623    HD2  PRO  81           HD2      PRO  81   4.134 -15.363   5.946
  624    HD3  PRO  81           HD3      PRO  81   5.572 -15.654   6.973
  625    H    LYS  82           H        LYS  82   3.982 -20.819   5.481
  626    HA   LYS  82           HA       LYS  82   2.628 -20.405   2.877
  627    HB2  LYS  82           HB2      LYS  82   3.502 -23.000   4.229
  628    HB3  LYS  82           HB3      LYS  82   2.937 -22.819   2.577
  629    HG2  LYS  82           HG2      LYS  82   5.576 -21.844   3.717
  630    HG3  LYS  82           HG3      LYS  82   5.277 -23.177   2.588
  631    HD2  LYS  82           HD2      LYS  82   4.488 -21.548   0.882
  632    HD3  LYS  82           HD3      LYS  82   4.789 -20.222   2.003
  633    HE2  LYS  82           HE2      LYS  82   6.595 -20.336   0.397
  634    HE3  LYS  82           HE3      LYS  82   7.209 -20.691   2.010
  635    HZ1  LYS  82           HZ1      LYS  82   6.497 -22.837   0.091
  636    HZ2  LYS  82           HZ2      LYS  82   7.992 -22.146   0.118
  637    HZ3  LYS  82           HZ3      LYS  82   7.431 -22.953   1.432
  638    H    VAL  83           H        VAL  83   0.727 -21.607   2.384
  639    HA   VAL  83           HA       VAL  83  -0.827 -22.852   4.559
  640    HB   VAL  83           HB       VAL  83  -1.888 -20.880   2.477
  641   HG11  VAL  83          HG11      VAL  83  -3.419 -22.547   4.534
  642   HG12  VAL  83          HG12      VAL  83  -4.116 -21.270   3.515
  643   HG13  VAL  83          HG13      VAL  83  -3.490 -22.736   2.766
  644   HG21  VAL  83          HG21      VAL  83  -1.881 -20.730   5.524
  645   HG22  VAL  83          HG22      VAL  83  -0.924 -19.725   4.417
  646   HG23  VAL  83          HG23      VAL  83  -2.685 -19.578   4.434
  647    H    LYS  84           H        LYS  84  -1.866 -24.761   3.680
  648    HA   LYS  84           HA       LYS  84  -0.983 -25.524   0.946
  649    HB2  LYS  84           HB2      LYS  84  -0.398 -27.008   3.539
  650    HB3  LYS  84           HB3      LYS  84  -0.209 -27.704   1.927
  651    HG2  LYS  84           HG2      LYS  84   1.435 -25.938   1.341
  652    HG3  LYS  84           HG3      LYS  84   1.355 -25.282   2.975
  653    HD2  LYS  84           HD2      LYS  84   2.247 -28.101   2.233
  654    HD3  LYS  84           HD3      LYS  84   3.312 -26.739   2.612
  655    HE2  LYS  84           HE2      LYS  84   2.315 -26.591   4.891
  656    HE3  LYS  84           HE3      LYS  84   1.285 -27.981   4.527
  657    HZ1  LYS  84           HZ1      LYS  84   4.247 -28.033   4.600
  658    HZ2  LYS  84           HZ2      LYS  84   3.257 -28.644   5.738
  659    HZ3  LYS  84           HZ3      LYS  84   3.293 -29.317   4.256
  660    H    GLY  85           H        GLY  85  -2.077 -27.301   0.075
  661    HA2  GLY  85           HA2      GLY  85  -4.028 -28.304  -0.580
  662    HA3  GLY  85           HA3      GLY  85  -4.386 -28.587   1.135
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1   1.504   0.849   1.983
    2    H2   ALA   1           H2       ALA   1   1.683  -0.779   1.983
    3    H3   ALA   1           H3       ALA   1   2.938   0.177   1.551
    4    HA   ALA   1           HA       ALA   1   0.413  -0.101   0.070
    5    HB1  ALA   1           HB1      ALA   1   1.334   2.178  -0.135
    6    HB2  ALA   1           HB2      ALA   1   2.901   1.518  -0.653
    7    HB3  ALA   1           HB3      ALA   1   1.460   1.300  -1.662
    8    H    GLU   2           H        GLU   2   0.645  -2.457   0.059
    9    HA   GLU   2           HA       GLU   2   2.676  -3.541  -1.768
   10    HB2  GLU   2           HB2      GLU   2   3.872  -3.480   0.364
   11    HB3  GLU   2           HB3      GLU   2   2.499  -4.213   1.203
   12    HG2  GLU   2           HG2      GLU   2   2.840  -6.296  -0.186
   13    HG3  GLU   2           HG3      GLU   2   4.273  -5.536  -0.882
   14    H    HIS   3           H        HIS   3   1.945  -5.473  -2.640
   15    HA   HIS   3           HA       HIS   3  -0.228  -7.019  -1.423
   16    HB2  HIS   3           HB2      HIS   3  -0.209  -6.175  -4.361
   17    HB3  HIS   3           HB3      HIS   3  -1.275  -7.381  -3.652
   18    HD1  HIS   3           HD1      HIS   3  -2.618  -5.954  -1.264
   19    HD2  HIS   3           HD2      HIS   3  -1.626  -4.115  -4.916
   20    HE1  HIS   3           HE1      HIS   3  -4.156  -3.941  -1.489
   21    H    TRP   4           H        TRP   4  -0.166  -9.254  -2.503
   22    HA   TRP   4           HA       TRP   4   2.467  -9.846  -3.764
   23    HB2  TRP   4           HB2      TRP   4   1.041 -11.318  -1.521
   24    HB3  TRP   4           HB3      TRP   4   2.324 -12.031  -2.484
   25    HD1  TRP   4           HD1      TRP   4   1.814  -9.141   0.011
   26    HE1  TRP   4           HE1      TRP   4   3.985  -8.671   1.246
   27    HE3  TRP   4           HE3      TRP   4   4.865 -12.409  -2.516
   28    HZ2  TRP   4           HZ2      TRP   4   6.664  -9.843   1.353
   29    HZ3  TRP   4           HZ3      TRP   4   7.205 -12.721  -1.798
   30    HH2  TRP   4           HH2      TRP   4   8.124 -11.438   0.120
   31    H    ILE   5           H        ILE   5   2.165 -11.008  -5.624
   32    HA   ILE   5           HA       ILE   5  -0.485 -12.281  -6.051
   33    HB   ILE   5           HB       ILE   5   0.894 -10.517  -8.095
   34   HG12  ILE   5          HG12      ILE   5  -0.133  -9.153  -6.226
   35   HG13  ILE   5          HG13      ILE   5  -0.803  -8.871  -7.824
   36   HG21  ILE   5          HG21      ILE   5  -0.346 -12.291  -9.168
   37   HG22  ILE   5          HG22      ILE   5  -1.717 -12.099  -8.057
   38   HG23  ILE   5          HG23      ILE   5  -1.361 -10.835  -9.245
   39   HD11  ILE   5          HD11      ILE   5  -2.831 -10.011  -7.298
   40   HD12  ILE   5          HD12      ILE   5  -2.133 -10.699  -5.820
   41   HD13  ILE   5          HD13      ILE   5  -2.460  -8.955  -5.925
   42    H    ASP   6           H        ASP   6  -0.175 -14.272  -6.367
   43    HA   ASP   6           HA       ASP   6   2.377 -15.474  -7.191
   44    HB2  ASP   6           HB2      ASP   6   1.085 -16.422  -5.353
   45    HB3  ASP   6           HB3      ASP   6  -0.342 -16.519  -6.342
   46    H    VAL   7           H        VAL   7   2.714 -15.255  -9.380
   47    HA   VAL   7           HA       VAL   7   0.430 -15.304 -11.238
   48    HB   VAL   7           HB       VAL   7   1.952 -14.504 -12.911
   49   HG11  VAL   7          HG11      VAL   7   0.911 -12.905 -11.323
   50   HG12  VAL   7          HG12      VAL   7   2.379 -12.947 -10.327
   51   HG13  VAL   7          HG13      VAL   7   2.448 -12.324 -11.983
   52   HG21  VAL   7          HG21      VAL   7   4.209 -14.547 -10.869
   53   HG22  VAL   7          HG22      VAL   7   4.021 -15.746 -12.172
   54   HG23  VAL   7          HG23      VAL   7   4.280 -14.053 -12.565
   55    H    ARG   8           H        ARG   8   2.012 -17.632  -9.799
   56    HA   ARG   8           HA       ARG   8   2.889 -19.486 -11.794
   57    HB2  ARG   8           HB2      ARG   8   3.244 -19.318  -9.229
   58    HB3  ARG   8           HB3      ARG   8   1.573 -19.923  -9.099
   59    HG2  ARG   8           HG2      ARG   8   2.292 -22.075  -9.956
   60    HG3  ARG   8           HG3      ARG   8   3.925 -21.430 -10.263
   61    HD2  ARG   8           HD2      ARG   8   3.413 -22.819  -8.073
   62    HD3  ARG   8           HD3      ARG   8   4.513 -21.443  -8.028
   63    HE   ARG   8           HE       ARG   8   2.423 -20.108  -7.298
   64   HH11  ARG   8          HH11      ARG   8   3.365 -23.333  -6.057
   65   HH12  ARG   8          HH12      ARG   8   2.200 -23.264  -4.765
   66   HH21  ARG   8          HH22      ARG   8   0.908 -20.134  -5.688
   67   HH22  ARG   8          HH21      ARG   8   0.987 -21.357  -4.409
   68    H    VAL   9           H        VAL   9   1.719 -21.550 -12.268
   69    HA   VAL   9           HA       VAL   9  -0.962 -21.167 -13.054
   70    HB   VAL   9           HB       VAL   9  -0.952 -23.651 -13.464
   71   HG11  VAL   9          HG11      VAL   9  -0.129 -22.040 -15.158
   72   HG12  VAL   9          HG12      VAL   9   1.521 -22.210 -14.519
   73   HG13  VAL   9          HG13      VAL   9   0.700 -23.600 -15.249
   74   HG21  VAL   9          HG21      VAL   9   1.915 -23.588 -12.404
   75   HG22  VAL   9          HG22      VAL   9   0.534 -24.373 -11.608
   76   HG23  VAL   9          HG23      VAL   9   1.092 -24.951 -13.180
   77    HA   PRO  10           HA       PRO  10  -3.104 -21.543  -9.370
   78    HB2  PRO  10           HB2      PRO  10  -5.584 -22.489 -10.046
   79    HB3  PRO  10           HB3      PRO  10  -4.962 -20.874 -10.520
   80    HG2  PRO  10           HG2      PRO  10  -4.938 -23.415 -12.172
   81    HG3  PRO  10           HG3      PRO  10  -5.511 -21.782 -12.652
   82    HD2  PRO  10           HD2      PRO  10  -3.020 -22.634 -13.289
   83    HD3  PRO  10           HD3      PRO  10  -3.305 -20.944 -12.780
   84    H    GLU  11           H        GLU  11  -2.809 -24.568 -11.201
   85    HA   GLU  11           HA       GLU  11  -3.794 -26.387  -9.313
   86    HB2  GLU  11           HB2      GLU  11  -3.111 -26.778 -11.734
   87    HB3  GLU  11           HB3      GLU  11  -1.432 -26.764 -11.205
   88    HG2  GLU  11           HG2      GLU  11  -2.125 -29.044 -11.441
   89    HG3  GLU  11           HG3      GLU  11  -1.918 -28.741  -9.726
   90    H    GLN  12           H        GLN  12  -0.668 -24.645  -9.344
   91    HA   GLN  12           HA       GLN  12   0.393 -26.333  -7.162
   92    HB2  GLN  12           HB2      GLN  12   1.497 -23.919  -8.633
   93    HB3  GLN  12           HB3      GLN  12   2.347 -24.829  -7.364
   94    HG2  GLN  12           HG2      GLN  12   2.294 -26.871  -8.730
   95    HG3  GLN  12           HG3      GLN  12   1.390 -26.037  -9.991
   96   HE21  GLN  12          HE22      GLN  12   3.050 -26.485 -11.574
   97   HE22  GLN  12          HE21      GLN  12   4.562 -25.617 -11.551
   98    H    TYR  13           H        TYR  13  -1.221 -23.197  -7.617
   99    HA   TYR  13           HA       TYR  13  -0.868 -22.193  -4.952
  100    HB2  TYR  13           HB2      TYR  13  -1.690 -20.535  -6.180
  101    HB3  TYR  13           HB3      TYR  13  -2.470 -21.580  -7.326
  102    HD1  TYR  13           HD2      TYR  13  -2.890 -20.126  -3.906
  103    HD2  TYR  13           HD1      TYR  13  -4.829 -21.755  -7.392
  104    HE1  TYR  13           HE2      TYR  13  -5.073 -19.389  -3.017
  105    HE2  TYR  13           HE1      TYR  13  -7.022 -21.000  -6.530
  106    HH   TYR  13           HH       TYR  13  -7.378 -19.292  -3.385
  107    H    GLN  14           H        GLN  14  -3.159 -24.538  -6.351
  108    HA   GLN  14           HA       GLN  14  -4.615 -24.931  -3.894
  109    HB2  GLN  14           HB2      GLN  14  -4.266 -26.646  -6.392
  110    HB3  GLN  14           HB3      GLN  14  -5.374 -27.048  -5.085
  111    HG2  GLN  14           HG2      GLN  14  -5.525 -24.482  -6.729
  112    HG3  GLN  14           HG3      GLN  14  -6.490 -25.923  -6.999
  113   HE21  GLN  14          HE22      GLN  14  -6.231 -22.989  -5.132
  114   HE22  GLN  14          HE21      GLN  14  -7.602 -23.284  -4.091
  115    H    GLN  15           H        GLN  15  -1.367 -25.536  -4.305
  116    HA   GLN  15           HA       GLN  15  -1.432 -27.864  -2.440
  117    HB2  GLN  15           HB2      GLN  15   0.533 -27.252  -4.679
  118    HB3  GLN  15           HB3      GLN  15   0.741 -28.523  -3.470
  119    HG2  GLN  15           HG2      GLN  15  -1.256 -29.688  -4.244
  120    HG3  GLN  15           HG3      GLN  15  -1.655 -28.381  -5.354
  121   HE21  GLN  15          HE22      GLN  15  -0.890 -28.486  -7.425
  122   HE22  GLN  15          HE21      GLN  15   0.343 -29.612  -7.977
  123    H    GLU  16           H        GLU  16   0.068 -24.727  -3.252
  124    HA   GLU  16           HA       GLU  16   0.493 -24.337  -0.435
  125    HB2  GLU  16           HB2      GLU  16   2.590 -25.553  -1.238
  126    HB3  GLU  16           HB3      GLU  16   2.966 -24.137  -2.206
  127    HG2  GLU  16           HG2      GLU  16   3.165 -22.755  -0.208
  128    HG3  GLU  16           HG3      GLU  16   2.465 -23.991   0.804
  129    H    HIS  17           H        HIS  17   0.459 -22.086   0.030
  130    HA   HIS  17           HA       HIS  17   0.969 -20.085  -2.058
  131    HB2  HIS  17           HB2      HIS  17  -1.503 -20.841  -2.156
  132    HB3  HIS  17           HB3      HIS  17  -1.674 -20.164  -0.540
  133    HD1  HIS  17           HD1      HIS  17  -0.008 -18.545  -3.707
  134    HD2  HIS  17           HD2      HIS  17  -3.128 -18.063  -0.919
  135    HE1  HIS  17           HE1      HIS  17  -1.180 -16.383  -4.302
  136    H    VAL  18           H        VAL  18   1.239 -17.903  -0.972
  137    HA   VAL  18           HA       VAL  18   2.136 -18.077   1.806
  138    HB   VAL  18           HB       VAL  18   1.692 -15.672  -0.019
  139   HG11  VAL  18          HG11      VAL  18   3.066 -15.838   2.701
  140   HG12  VAL  18          HG12      VAL  18   3.168 -14.450   1.594
  141   HG13  VAL  18          HG13      VAL  18   1.618 -14.889   2.299
  142   HG21  VAL  18          HG21      VAL  18   4.251 -17.125   0.784
  143   HG22  VAL  18          HG22      VAL  18   3.494 -17.126  -0.823
  144   HG23  VAL  18          HG23      VAL  18   4.155 -15.631  -0.183
  145    H    GLN  19           H        GLN  19   1.040 -17.348   3.616
  146    HA   GLN  19           HA       GLN  19  -1.863 -17.200   3.547
  147    HB2  GLN  19           HB2      GLN  19  -0.358 -18.338   5.292
  148    HB3  GLN  19           HB3      GLN  19   0.034 -16.725   5.881
  149    HG2  GLN  19           HG2      GLN  19  -2.397 -16.357   6.386
  150    HG3  GLN  19           HG3      GLN  19  -2.759 -17.960   5.752
  151   HE21  GLN  19          HE22      GLN  19  -0.861 -16.242   8.301
  152   HE22  GLN  19          HE21      GLN  19  -0.890 -17.560   9.443
  153    H    GLY  20           H        GLY  20  -1.086 -15.171   1.913
  154    HA2  GLY  20           HA2      GLY  20  -2.182 -12.790   2.898
  155    HA3  GLY  20           HA3      GLY  20  -0.442 -12.689   3.227
  156    H    ALA  21           H        ALA  21  -2.258 -14.120   0.437
  157    HA   ALA  21           HA       ALA  21  -1.087 -12.205  -1.451
  158    HB1  ALA  21           HB1      ALA  21  -0.465 -15.199  -1.475
  159    HB2  ALA  21           HB2      ALA  21  -0.061 -14.059  -2.784
  160    HB3  ALA  21           HB3      ALA  21   0.703 -13.883  -1.195
  161    H    ILE  22           H        ILE  22  -1.769 -13.089  -3.766
  162    HA   ILE  22           HA       ILE  22  -4.375 -14.493  -3.701
  163    HB   ILE  22           HB       ILE  22  -4.014 -12.445  -5.845
  164   HG12  ILE  22          HG12      ILE  22  -4.683 -11.520  -3.020
  165   HG13  ILE  22          HG13      ILE  22  -3.314 -11.012  -4.016
  166   HG21  ILE  22          HG21      ILE  22  -5.950 -14.004  -5.662
  167   HG22  ILE  22          HG22      ILE  22  -6.429 -13.196  -4.152
  168   HG23  ILE  22          HG23      ILE  22  -6.433 -12.316  -5.698
  169   HD11  ILE  22          HD11      ILE  22  -4.920  -9.253  -4.059
  170   HD12  ILE  22          HD12      ILE  22  -4.949 -10.018  -5.660
  171   HD13  ILE  22          HD13      ILE  22  -6.242 -10.350  -4.482
  172    H    ASN  23           H        ASN  23  -4.552 -15.943  -5.492
  173    HA   ASN  23           HA       ASN  23  -2.130 -16.177  -7.230
  174    HB2  ASN  23           HB2      ASN  23  -2.649 -18.311  -6.221
  175    HB3  ASN  23           HB3      ASN  23  -4.346 -18.184  -6.721
  176   HD21  ASN  23          HD22      ASN  23  -1.021 -18.837  -7.870
  177   HD22  ASN  23          HD21      ASN  23  -1.458 -19.169  -9.537
  178    H    ILE  24           H        ILE  24  -2.248 -15.357  -9.147
  179    HA   ILE  24           HA       ILE  24  -4.783 -15.292 -10.602
  180    HB   ILE  24           HB       ILE  24  -3.116 -12.756 -10.449
  181   HG12  ILE  24          HG12      ILE  24  -5.660 -13.249  -8.895
  182   HG13  ILE  24          HG13      ILE  24  -4.035 -12.967  -8.248
  183   HG21  ILE  24          HG21      ILE  24  -5.838 -13.405 -11.587
  184   HG22  ILE  24          HG22      ILE  24  -5.052 -11.804 -11.642
  185   HG23  ILE  24          HG23      ILE  24  -4.339 -13.169 -12.502
  186   HD11  ILE  24          HD11      ILE  24  -5.204 -10.939  -7.985
  187   HD12  ILE  24          HD12      ILE  24  -4.058 -10.682  -9.316
  188   HD13  ILE  24          HD13      ILE  24  -5.784 -10.942  -9.656
  189    HA   PRO  25           HA       PRO  25  -1.070 -17.030 -12.543
  190    HB2  PRO  25           HB2      PRO  25  -2.190 -18.267 -14.736
  191    HB3  PRO  25           HB3      PRO  25  -2.257 -18.924 -13.070
  192    HG2  PRO  25           HG2      PRO  25  -4.380 -17.341 -14.522
  193    HG3  PRO  25           HG3      PRO  25  -4.573 -18.840 -13.563
  194    HD2  PRO  25           HD2      PRO  25  -5.087 -16.372 -12.515
  195    HD3  PRO  25           HD3      PRO  25  -4.370 -17.675 -11.521
  196    H    LEU  26           H        LEU  26   0.280 -16.406 -14.306
  197    HA   LEU  26           HA       LEU  26   0.310 -13.772 -14.801
  198    HB2  LEU  26           HB2      LEU  26   2.117 -15.427 -15.091
  199    HB3  LEU  26           HB3      LEU  26   1.494 -15.864 -16.672
  200    HG   LEU  26           HG       LEU  26   2.220 -12.972 -16.038
  201   HD11  LEU  26          HD11      LEU  26   4.518 -13.400 -16.775
  202   HD12  LEU  26          HD12      LEU  26   4.141 -14.395 -15.364
  203   HD13  LEU  26          HD13      LEU  26   4.157 -15.129 -16.980
  204   HD21  LEU  26          HD21      LEU  26   2.231 -14.633 -18.610
  205   HD22  LEU  26          HD22      LEU  26   1.142 -13.283 -18.226
  206   HD23  LEU  26          HD23      LEU  26   2.852 -12.979 -18.484
  207    H    LYS  27           H        LYS  27  -1.060 -16.069 -17.197
  208    HA   LYS  27           HA       LYS  27  -1.667 -14.165 -19.173
  209    HB2  LYS  27           HB2      LYS  27  -3.175 -15.827 -20.112
  210    HB3  LYS  27           HB3      LYS  27  -1.655 -16.561 -19.606
  211    HG2  LYS  27           HG2      LYS  27  -2.782 -17.408 -17.525
  212    HG3  LYS  27           HG3      LYS  27  -4.309 -16.705 -18.095
  213    HD2  LYS  27           HD2      LYS  27  -4.216 -18.129 -20.120
  214    HD3  LYS  27           HD3      LYS  27  -2.693 -18.845 -19.545
  215    HE2  LYS  27           HE2      LYS  27  -3.850 -19.669 -17.507
  216    HE3  LYS  27           HE3      LYS  27  -5.364 -18.945 -18.066
  217    HZ1  LYS  27           HZ1      LYS  27  -5.303 -20.446 -19.972
  218    HZ2  LYS  27           HZ2      LYS  27  -3.903 -21.116 -19.458
  219    HZ3  LYS  27           HZ3      LYS  27  -5.266 -21.298 -18.586
  220    H    GLU  28           H        GLU  28  -3.434 -14.903 -16.193
  221    HA   GLU  28           HA       GLU  28  -5.745 -13.254 -16.982
  222    HB2  GLU  28           HB2      GLU  28  -5.122 -15.175 -14.823
  223    HB3  GLU  28           HB3      GLU  28  -5.768 -13.668 -14.191
  224    HG2  GLU  28           HG2      GLU  28  -7.703 -13.816 -15.712
  225    HG3  GLU  28           HG3      GLU  28  -7.078 -15.342 -16.358
  226    H    VAL  29           H        VAL  29  -2.883 -13.129 -14.832
  227    HA   VAL  29           HA       VAL  29  -3.652 -10.891 -13.423
  228    HB   VAL  29           HB       VAL  29  -1.587 -12.540 -13.206
  229   HG11  VAL  29          HG11      VAL  29   0.584 -11.521 -13.433
  230   HG12  VAL  29          HG12      VAL  29  -0.173 -11.513 -15.022
  231   HG13  VAL  29          HG13      VAL  29  -0.106 -10.024 -14.074
  232   HG21  VAL  29          HG21      VAL  29  -2.522 -10.979 -11.462
  233   HG22  VAL  29          HG22      VAL  29  -0.760 -11.152 -11.398
  234   HG23  VAL  29          HG23      VAL  29  -1.488  -9.699 -12.107
  235    H    LYS  30           H        LYS  30  -1.938 -10.927 -16.519
  236    HA   LYS  30           HA       LYS  30  -1.318  -8.182 -16.559
  237    HB2  LYS  30           HB2      LYS  30  -0.495 -10.042 -18.115
  238    HB3  LYS  30           HB3      LYS  30  -2.026  -9.906 -18.984
  239    HG2  LYS  30           HG2      LYS  30  -1.520  -7.506 -19.492
  240    HG3  LYS  30           HG3      LYS  30  -0.063  -7.603 -18.505
  241    HD2  LYS  30           HD2      LYS  30   0.523  -7.724 -20.862
  242    HD3  LYS  30           HD3      LYS  30   0.886  -9.263 -20.084
  243    HE2  LYS  30           HE2      LYS  30  -0.057  -9.740 -22.229
  244    HE3  LYS  30           HE3      LYS  30  -1.233 -10.222 -21.009
  245    HZ1  LYS  30           HZ1      LYS  30  -2.447  -8.154 -21.484
  246    HZ2  LYS  30           HZ2      LYS  30  -1.330  -7.714 -22.598
  247    HZ3  LYS  30           HZ3      LYS  30  -2.258  -9.026 -22.845
  248    H    GLU  31           H        GLU  31  -4.479  -9.641 -17.023
  249    HA   GLU  31           HA       GLU  31  -5.541  -6.978 -17.826
  250    HB2  GLU  31           HB2      GLU  31  -6.216  -8.889 -19.212
  251    HB3  GLU  31           HB3      GLU  31  -6.819  -9.745 -17.786
  252    HG2  GLU  31           HG2      GLU  31  -8.504  -7.997 -17.412
  253    HG3  GLU  31           HG3      GLU  31  -7.849  -7.044 -18.747
  254    H    ARG  32           H        ARG  32  -5.958  -9.649 -15.490
  255    HA   ARG  32           HA       ARG  32  -8.019  -8.393 -14.022
  256    HB2  ARG  32           HB2      ARG  32  -7.715 -10.803 -14.180
  257    HB3  ARG  32           HB3      ARG  32  -6.186 -10.715 -13.294
  258    HG2  ARG  32           HG2      ARG  32  -7.261 -10.117 -11.268
  259    HG3  ARG  32           HG3      ARG  32  -8.799  -9.738 -12.072
  260    HD2  ARG  32           HD2      ARG  32  -9.318 -12.018 -12.442
  261    HD3  ARG  32           HD3      ARG  32  -7.640 -12.520 -12.247
  262    HE   ARG  32           HE       ARG  32  -8.935 -11.339  -9.884
  263   HH11  ARG  32          HH11      ARG  32  -8.177 -14.413 -11.562
  264   HH12  ARG  32          HH12      ARG  32  -8.136 -15.326 -10.091
  265   HH21  ARG  32          HH21      ARG  32  -8.926 -12.600  -7.970
  266   HH22  ARG  32          HH22      ARG  32  -8.603 -14.290  -8.033
  267    H    ILE  33           H        ILE  33  -4.522  -8.029 -13.657
  268    HA   ILE  33           HA       ILE  33  -4.536  -7.128 -10.976
  269    HB   ILE  33           HB       ILE  33  -2.491  -7.601 -12.384
  270   HG12  ILE  33          HG12      ILE  33  -1.136  -5.643 -11.389
  271   HG13  ILE  33          HG13      ILE  33  -2.655  -5.094 -10.681
  272   HG21  ILE  33          HG21      ILE  33  -2.850  -4.770 -13.438
  273   HG22  ILE  33          HG22      ILE  33  -1.548  -5.898 -13.803
  274   HG23  ILE  33          HG23      ILE  33  -3.176  -6.231 -14.384
  275   HD11  ILE  33          HD11      ILE  33  -2.887  -7.289  -9.518
  276   HD12  ILE  33          HD12      ILE  33  -1.354  -7.818 -10.248
  277   HD13  ILE  33          HD13      ILE  33  -1.374  -6.465  -9.104
  278    H    ALA  34           H        ALA  34  -5.521  -5.512 -14.001
  279    HA   ALA  34           HA       ALA  34  -5.705  -2.898 -12.918
  280    HB1  ALA  34           HB1      ALA  34  -7.342  -4.131 -15.179
  281    HB2  ALA  34           HB2      ALA  34  -7.031  -2.404 -14.920
  282    HB3  ALA  34           HB3      ALA  34  -5.692  -3.482 -15.363
  283    H    THR  35           H        THR  35  -7.581  -5.585 -12.042
  284    HA   THR  35           HA       THR  35  -9.755  -3.824 -11.001
  285    HB   THR  35           HB       THR  35  -9.894  -6.804 -11.601
  286    HG1  THR  35           HG1      THR  35  -9.643  -5.612 -13.512
  287   HG21  THR  35          HG21      THR  35 -11.585  -6.074  -9.971
  288   HG22  THR  35          HG22      THR  35 -12.074  -4.740 -11.038
  289   HG23  THR  35          HG23      THR  35 -12.352  -6.429 -11.523
  290    H    ALA  36           H        ALA  36  -7.290  -6.271 -10.289
  291    HA   ALA  36           HA       ALA  36  -8.091  -6.606  -7.507
  292    HB1  ALA  36           HB1      ALA  36  -5.984  -7.856  -7.315
  293    HB2  ALA  36           HB2      ALA  36  -6.878  -8.370  -8.759
  294    HB3  ALA  36           HB3      ALA  36  -5.472  -7.291  -8.915
  295    H    VAL  37           H        VAL  37  -5.841  -4.546  -9.292
  296    HA   VAL  37           HA       VAL  37  -5.240  -2.908  -6.909
  297    HB   VAL  37           HB       VAL  37  -3.090  -3.880  -8.831
  298   HG11  VAL  37          HG11      VAL  37  -2.954  -2.543  -6.094
  299   HG12  VAL  37          HG12      VAL  37  -1.557  -3.030  -7.089
  300   HG13  VAL  37          HG13      VAL  37  -2.631  -1.746  -7.638
  301   HG21  VAL  37          HG21      VAL  37  -3.750  -5.068  -6.123
  302   HG22  VAL  37          HG22      VAL  37  -3.745  -5.888  -7.702
  303   HG23  VAL  37          HG23      VAL  37  -2.230  -5.329  -7.015
  304    HA   PRO  38           HA       PRO  38  -6.456  -0.870 -10.972
  305    HB2  PRO  38           HB2      PRO  38  -8.423   0.827 -10.035
  306    HB3  PRO  38           HB3      PRO  38  -8.715  -0.875 -10.490
  307    HG2  PRO  38           HG2      PRO  38  -8.219   0.246  -7.721
  308    HG3  PRO  38           HG3      PRO  38  -9.499  -0.896  -8.246
  309    HD2  PRO  38           HD2      PRO  38  -7.214  -1.780  -7.069
  310    HD3  PRO  38           HD3      PRO  38  -7.958  -2.683  -8.422
  311    H    ASP  39           H        ASP  39  -5.573   0.449  -7.808
  312    HA   ASP  39           HA       ASP  39  -5.263   3.167  -8.710
  313    HB2  ASP  39           HB2      ASP  39  -5.892   2.450  -6.401
  314    HB3  ASP  39           HB3      ASP  39  -4.257   1.825  -6.176
  315    H    LYS  40           H        LYS  40  -3.244   0.466  -9.081
  316    HA   LYS  40           HA       LYS  40  -1.152   0.055  -9.702
  317    HB2  LYS  40           HB2      LYS  40  -1.239   2.868 -10.833
  318    HB3  LYS  40           HB3      LYS  40  -0.046   1.638 -11.220
  319    HG2  LYS  40           HG2      LYS  40  -2.022   0.130 -11.906
  320    HG3  LYS  40           HG3      LYS  40  -3.013   1.592 -11.847
  321    HD2  LYS  40           HD2      LYS  40  -1.503   2.663 -13.513
  322    HD3  LYS  40           HD3      LYS  40  -0.511   1.186 -13.550
  323    HE2  LYS  40           HE2      LYS  40  -2.488  -0.121 -14.300
  324    HE3  LYS  40           HE3      LYS  40  -3.465   1.354 -14.293
  325    HZ1  LYS  40           HZ1      LYS  40  -2.665   0.857 -16.507
  326    HZ2  LYS  40           HZ2      LYS  40  -1.982   2.249 -16.008
  327    HZ3  LYS  40           HZ3      LYS  40  -1.102   0.861 -16.027
  328    H    ASN  41           H        ASN  41  -1.350   2.621  -7.412
  329    HA   ASN  41           HA       ASN  41   1.454   3.074  -7.136
  330    HB2  ASN  41           HB2      ASN  41  -0.315   4.673  -6.435
  331    HB3  ASN  41           HB3      ASN  41  -0.806   3.553  -5.159
  332   HD21  ASN  41          HD22      ASN  41   0.114   3.956  -3.146
  333   HD22  ASN  41          HD21      ASN  41   1.616   4.805  -2.901
  334    H    ASP  42           H        ASP  42  -0.655   0.617  -5.690
  335    HA   ASP  42           HA       ASP  42   1.013   0.051  -3.407
  336    HB2  ASP  42           HB2      ASP  42  -1.202  -1.444  -4.822
  337    HB3  ASP  42           HB3      ASP  42  -0.221  -2.235  -3.588
  338    H    THR  43           H        THR  43   2.762  -1.265  -3.197
  339    HA   THR  43           HA       THR  43   4.297  -2.050  -5.448
  340    HB   THR  43           HB       THR  43   4.503  -2.944  -2.540
  341    HG1  THR  43           HG1      THR  43   4.636  -0.877  -2.366
  342   HG21  THR  43          HG21      THR  43   5.911  -4.280  -3.949
  343   HG22  THR  43          HG22      THR  43   6.607  -2.833  -4.727
  344   HG23  THR  43          HG23      THR  43   6.898  -3.167  -2.997
  345    H    VAL  44           H        VAL  44   3.333  -3.554  -6.858
  346    HA   VAL  44           HA       VAL  44   2.089  -5.963  -5.747
  347    HB   VAL  44           HB       VAL  44   2.901  -5.411  -8.643
  348   HG11  VAL  44          HG11      VAL  44   0.894  -7.314  -7.349
  349   HG12  VAL  44          HG12      VAL  44   1.128  -7.116  -9.099
  350   HG13  VAL  44          HG13      VAL  44   2.424  -7.792  -8.106
  351   HG21  VAL  44          HG21      VAL  44   1.362  -3.631  -7.950
  352   HG22  VAL  44          HG22      VAL  44   0.516  -4.773  -8.991
  353   HG23  VAL  44          HG23      VAL  44   0.259  -4.824  -7.231
  354    H    LYS  45           H        LYS  45   3.362  -7.452  -4.775
  355    HA   LYS  45           HA       LYS  45   6.121  -7.893  -5.751
  356    HB2  LYS  45           HB2      LYS  45   4.698  -9.019  -3.297
  357    HB3  LYS  45           HB3      LYS  45   6.407  -9.212  -3.732
  358    HG2  LYS  45           HG2      LYS  45   6.484  -6.624  -3.805
  359    HG3  LYS  45           HG3      LYS  45   4.925  -6.658  -2.984
  360    HD2  LYS  45           HD2      LYS  45   5.865  -7.638  -1.020
  361    HD3  LYS  45           HD3      LYS  45   7.357  -8.115  -1.864
  362    HE2  LYS  45           HE2      LYS  45   7.996  -5.782  -2.193
  363    HE3  LYS  45           HE3      LYS  45   6.486  -5.219  -1.464
  364    HZ1  LYS  45           HZ1      LYS  45   8.432  -5.180   0.038
  365    HZ2  LYS  45           HZ2      LYS  45   7.157  -6.014   0.624
  366    HZ3  LYS  45           HZ3      LYS  45   8.486  -6.813   0.024
  367    H    VAL  46           H        VAL  46   6.100  -9.130  -7.573
  368    HA   VAL  46           HA       VAL  46   4.073 -11.245  -7.835
  369    HB   VAL  46           HB       VAL  46   5.120 -11.620 -10.063
  370   HG11  VAL  46          HG11      VAL  46   4.199  -8.767  -9.500
  371   HG12  VAL  46          HG12      VAL  46   4.164  -9.596 -11.067
  372   HG13  VAL  46          HG13      VAL  46   3.139 -10.175  -9.744
  373   HG21  VAL  46          HG21      VAL  46   6.674  -9.047  -9.547
  374   HG22  VAL  46          HG22      VAL  46   7.404 -10.670  -9.574
  375   HG23  VAL  46          HG23      VAL  46   6.629 -10.003 -11.022
  376    H    TYR  47           H        TYR  47   4.451 -13.448  -7.739
  377    HA   TYR  47           HA       TYR  47   7.196 -14.438  -7.672
  378    HB2  TYR  47           HB2      TYR  47   7.092 -15.617  -5.658
  379    HB3  TYR  47           HB3      TYR  47   6.626 -13.976  -5.277
  380    HD1  TYR  47           HD1      TYR  47   5.473 -17.483  -5.483
  381    HD2  TYR  47           HD2      TYR  47   4.348 -13.420  -4.555
  382    HE1  TYR  47           HE1      TYR  47   3.537 -18.312  -4.190
  383    HE2  TYR  47           HE2      TYR  47   2.449 -14.258  -3.200
  384    HH   TYR  47           HH       TYR  47   1.292 -16.124  -2.470
  385    H    CYS  48           H        CYS  48   7.121 -16.945  -7.800
  386    HA   CYS  48           HA       CYS  48   4.697 -18.050  -8.915
  387    HB2  CYS  48           HB2      CYS  48   5.653 -18.603 -11.089
  388    HB3  CYS  48           HB3      CYS  48   5.677 -16.859 -10.840
  389    HG   CYS  48           HG       CYS  48   8.204 -16.763  -9.974
  390    H    ASN  49           H        ASN  49   6.515 -20.217 -10.173
  391    HA   ASN  49           HA       ASN  49   6.698 -21.911  -7.833
  392    HB2  ASN  49           HB2      ASN  49   6.308 -22.778 -10.136
  393    HB3  ASN  49           HB3      ASN  49   7.932 -22.267 -10.603
  394   HD21  ASN  49          HD22      ASN  49   6.042 -24.704  -8.925
  395   HD22  ASN  49          HD21      ASN  49   7.382 -25.742  -8.514
  396    H    ALA  50           H        ALA  50   9.158 -20.156  -9.797
  397    HA   ALA  50           HA       ALA  50  11.072 -20.373  -7.532
  398    HB1  ALA  50           HB1      ALA  50  12.812 -21.283  -9.015
  399    HB2  ALA  50           HB2      ALA  50  11.428 -22.385  -8.904
  400    HB3  ALA  50           HB3      ALA  50  11.648 -21.377 -10.353
  401    H    GLY  51           H        GLY  51  10.306 -18.844 -10.724
  402    HA2  GLY  51           HA2      GLY  51  10.886 -16.300  -9.992
  403    HA3  GLY  51           HA3      GLY  51  12.484 -16.908 -10.433
  404    H    ARG  52           H        ARG  52  11.386 -18.634 -12.676
  405    HA   ARG  52           HA       ARG  52  11.859 -16.802 -14.699
  406    HB2  ARG  52           HB2      ARG  52  10.994 -18.476 -16.297
  407    HB3  ARG  52           HB3      ARG  52  12.147 -19.131 -15.142
  408    HG2  ARG  52           HG2      ARG  52  10.418 -20.290 -13.916
  409    HG3  ARG  52           HG3      ARG  52   9.140 -19.443 -14.785
  410    HD2  ARG  52           HD2      ARG  52   9.927 -20.536 -16.921
  411    HD3  ARG  52           HD3      ARG  52  11.044 -21.494 -15.945
  412    HE   ARG  52           HE       ARG  52   9.313 -22.804 -15.219
  413   HH11  ARG  52          HH11      ARG  52   7.882 -19.968 -16.824
  414   HH12  ARG  52          HH12      ARG  52   6.247 -20.406 -16.445
  415   HH21  ARG  52          HH21      ARG  52   7.127 -23.485 -14.926
  416   HH22  ARG  52          HH22      ARG  52   5.825 -22.515 -15.508
  417    H    GLN  53           H        GLN  53   8.616 -17.809 -13.554
  418    HA   GLN  53           HA       GLN  53   7.339 -16.312 -15.689
  419    HB2  GLN  53           HB2      GLN  53   6.628 -18.530 -14.547
  420    HB3  GLN  53           HB3      GLN  53   5.954 -17.522 -13.267
  421    HG2  GLN  53           HG2      GLN  53   4.304 -16.622 -14.683
  422    HG3  GLN  53           HG3      GLN  53   5.199 -17.036 -16.153
  423   HE21  GLN  53          HE22      GLN  53   2.580 -18.077 -14.160
  424   HE22  GLN  53          HE21      GLN  53   2.460 -19.673 -14.863
  425    H    SER  54           H        SER  54   7.998 -15.783 -12.188
  426    HA   SER  54           HA       SER  54   6.394 -13.389 -12.037
  427    HB2  SER  54           HB2      SER  54   7.599 -13.097  -9.884
  428    HB3  SER  54           HB3      SER  54   6.861 -14.694 -10.086
  429    HG   SER  54           HG       SER  54   8.963 -15.021  -9.345
  430    H    GLY  55           H        GLY  55   9.788 -14.104 -12.963
  431    HA2  GLY  55           HA2      GLY  55  10.770 -11.457 -13.035
  432    HA3  GLY  55           HA3      GLY  55  11.289 -12.789 -14.091
  433    H    GLN  56           H        GLN  56   9.155 -13.383 -15.635
  434    HA   GLN  56           HA       GLN  56   8.917 -11.236 -17.496
  435    HB2  GLN  56           HB2      GLN  56   7.416 -13.841 -17.077
  436    HB3  GLN  56           HB3      GLN  56   6.958 -12.718 -18.358
  437    HG2  GLN  56           HG2      GLN  56   9.857 -13.603 -18.121
  438    HG3  GLN  56           HG3      GLN  56   8.658 -14.666 -18.845
  439   HE21  GLN  56          HE22      GLN  56  10.196 -11.363 -19.238
  440   HE22  GLN  56          HE21      GLN  56   9.772 -11.273 -20.928
  441    H    ALA  57           H        ALA  57   6.636 -12.348 -14.902
  442    HA   ALA  57           HA       ALA  57   4.653 -10.438 -15.503
  443    HB1  ALA  57           HB1      ALA  57   5.352 -11.561 -12.771
  444    HB2  ALA  57           HB2      ALA  57   3.833 -10.776 -13.244
  445    HB3  ALA  57           HB3      ALA  57   4.286 -12.319 -13.990
  446    H    LYS  58           H        LYS  58   7.639 -10.020 -13.479
  447    HA   LYS  58           HA       LYS  58   6.921  -7.457 -12.511
  448    HB2  LYS  58           HB2      LYS  58   8.729  -8.541 -11.458
  449    HB3  LYS  58           HB3      LYS  58   9.658  -8.676 -12.962
  450    HG2  LYS  58           HG2      LYS  58  10.069  -6.333 -13.064
  451    HG3  LYS  58           HG3      LYS  58   8.848  -5.964 -11.842
  452    HD2  LYS  58           HD2      LYS  58  10.198  -6.888 -10.079
  453    HD3  LYS  58           HD3      LYS  58  11.389  -7.523 -11.256
  454    HE2  LYS  58           HE2      LYS  58  11.782  -5.152 -12.027
  455    HE3  LYS  58           HE3      LYS  58  10.719  -4.584 -10.736
  456    HZ1  LYS  58           HZ1      LYS  58  12.293  -5.536  -9.132
  457    HZ2  LYS  58           HZ2      LYS  58  13.262  -6.066 -10.341
  458    HZ3  LYS  58           HZ3      LYS  58  13.047  -4.472 -10.105
  459    H    GLU  59           H        GLU  59   8.520  -8.491 -15.548
  460    HA   GLU  59           HA       GLU  59   9.197  -5.838 -16.458
  461    HB2  GLU  59           HB2      GLU  59   8.782  -8.468 -17.959
  462    HB3  GLU  59           HB3      GLU  59   9.410  -6.991 -18.690
  463    HG2  GLU  59           HG2      GLU  59  11.361  -7.016 -17.243
  464    HG3  GLU  59           HG3      GLU  59  10.747  -8.389 -16.334
  465    H    ILE  60           H        ILE  60   6.518  -8.100 -17.126
  466    HA   ILE  60           HA       ILE  60   5.019  -6.509 -18.888
  467    HB   ILE  60           HB       ILE  60   4.438  -8.788 -16.987
  468   HG12  ILE  60          HG12      ILE  60   4.310  -8.609 -20.033
  469   HG13  ILE  60          HG13      ILE  60   5.761  -9.066 -19.150
  470   HG21  ILE  60          HG21      ILE  60   2.340  -7.582 -16.999
  471   HG22  ILE  60          HG22      ILE  60   2.370  -7.488 -18.777
  472   HG23  ILE  60          HG23      ILE  60   2.183  -9.053 -17.935
  473   HD11  ILE  60          HD11      ILE  60   3.148 -10.612 -19.222
  474   HD12  ILE  60          HD12      ILE  60   4.715 -11.077 -19.896
  475   HD13  ILE  60          HD13      ILE  60   4.508 -10.995 -18.136
  476    H    LEU  61           H        LEU  61   4.745  -6.698 -15.264
  477    HA   LEU  61           HA       LEU  61   2.607  -4.793 -15.265
  478    HB2  LEU  61           HB2      LEU  61   4.433  -5.736 -13.046
  479    HB3  LEU  61           HB3      LEU  61   3.076  -4.628 -12.808
  480    HG   LEU  61           HG       LEU  61   2.906  -7.502 -13.788
  481   HD11  LEU  61          HD11      LEU  61   1.700  -7.874 -11.690
  482   HD12  LEU  61          HD12      LEU  61   3.282  -7.154 -11.350
  483   HD13  LEU  61          HD13      LEU  61   1.821  -6.145 -11.286
  484   HD21  LEU  61          HD21      LEU  61   0.421  -7.205 -13.637
  485   HD22  LEU  61          HD22      LEU  61   0.697  -5.446 -13.576
  486   HD23  LEU  61          HD23      LEU  61   1.166  -6.403 -15.010
  487    H    SER  62           H        SER  62   6.134  -4.425 -15.157
  488    HA   SER  62           HA       SER  62   6.128  -1.633 -14.462
  489    HB2  SER  62           HB2      SER  62   8.143  -3.192 -16.136
  490    HB3  SER  62           HB3      SER  62   8.395  -1.625 -15.353
  491    HG   SER  62           HG       SER  62   7.949  -4.160 -14.140
  492    H    GLU  63           H        GLU  63   5.975  -3.391 -17.645
  493    HA   GLU  63           HA       GLU  63   5.800  -1.018 -19.213
  494    HB2  GLU  63           HB2      GLU  63   4.962  -3.894 -19.741
  495    HB3  GLU  63           HB3      GLU  63   4.790  -2.602 -20.932
  496    HG2  GLU  63           HG2      GLU  63   7.224  -2.129 -20.787
  497    HG3  GLU  63           HG3      GLU  63   7.421  -3.466 -19.660
  498    H    MET  64           H        MET  64   3.317  -2.961 -17.549
  499    HA   MET  64           HA       MET  64   1.033  -1.504 -18.530
  500    HB2  MET  64           HB2      MET  64   1.508  -3.174 -16.042
  501    HB3  MET  64           HB3      MET  64  -0.046  -2.478 -16.424
  502    HG2  MET  64           HG2      MET  64   1.418  -4.300 -18.363
  503    HG3  MET  64           HG3      MET  64   0.360  -4.916 -17.102
  504    HE1  MET  64           HE1      MET  64  -3.173  -3.906 -18.104
  505    HE2  MET  64           HE2      MET  64  -2.079  -4.638 -16.907
  506    HE3  MET  64           HE3      MET  64  -2.177  -2.870 -17.061
  507    H    GLY  65           H        GLY  65   3.588  -0.392 -16.554
  508    HA2  GLY  65           HA2      GLY  65   3.847   1.734 -15.780
  509    HA3  GLY  65           HA3      GLY  65   2.145   2.082 -16.118
  510    H    TYR  66           H        TYR  66   2.950  -0.718 -14.076
  511    HA   TYR  66           HA       TYR  66   1.694   0.503 -11.732
  512    HB2  TYR  66           HB2      TYR  66   3.122  -2.120 -12.258
  513    HB3  TYR  66           HB3      TYR  66   2.792  -1.568 -10.620
  514    HD1  TYR  66           HD1      TYR  66   1.051  -2.223 -13.898
  515    HD2  TYR  66           HD2      TYR  66   0.694  -1.848  -9.617
  516    HE1  TYR  66           HE1      TYR  66  -1.381  -2.699 -14.064
  517    HE2  TYR  66           HE2      TYR  66  -1.718  -2.339  -9.776
  518    HH   TYR  66           HH       TYR  66  -3.526  -2.485 -11.180
  519    H    THR  67           H        THR  67   2.657   1.942 -10.423
  520    HA   THR  67           HA       THR  67   5.310   2.799 -11.143
  521    HB   THR  67           HB       THR  67   4.769   4.588  -9.429
  522    HG1  THR  67           HG1      THR  67   2.699   4.591  -8.604
  523   HG21  THR  67          HG21      THR  67   4.183   4.808 -11.858
  524   HG22  THR  67          HG22      THR  67   2.601   4.066 -11.527
  525   HG23  THR  67          HG23      THR  67   3.025   5.635 -10.804
  526    H    HIS  68           H        HIS  68   4.106   0.579  -8.798
  527    HA   HIS  68           HA       HIS  68   6.844   0.309  -7.712
  528    HB2  HIS  68           HB2      HIS  68   4.278   0.287  -6.069
  529    HB3  HIS  68           HB3      HIS  68   5.849  -0.280  -5.510
  530    HD1  HIS  68           HD1      HIS  68   7.393   1.508  -4.412
  531    HD2  HIS  68           HD2      HIS  68   4.155   3.064  -6.607
  532    HE1  HIS  68           HE1      HIS  68   7.359   4.011  -3.957
  533    H    VAL  69           H        VAL  69   7.489  -1.700  -8.153
  534    HA   VAL  69           HA       VAL  69   5.661  -3.982  -7.976
  535    HB   VAL  69           HB       VAL  69   7.463  -3.459 -10.394
  536   HG11  VAL  69          HG11      VAL  69   5.636  -5.826  -9.776
  537   HG12  VAL  69          HG12      VAL  69   6.459  -5.538 -11.322
  538   HG13  VAL  69          HG13      VAL  69   7.413  -5.858  -9.875
  539   HG21  VAL  69          HG21      VAL  69   4.421  -3.571 -10.259
  540   HG22  VAL  69          HG22      VAL  69   5.412  -2.142 -10.632
  541   HG23  VAL  69          HG23      VAL  69   5.388  -3.496 -11.751
  542    H    GLU  70           H        GLU  70   6.903  -5.855  -7.344
  543    HA   GLU  70           HA       GLU  70   9.814  -5.583  -7.182
  544    HB2  GLU  70           HB2      GLU  70   8.518  -5.007  -4.865
  545    HB3  GLU  70           HB3      GLU  70   8.491  -6.778  -4.761
  546    HG2  GLU  70           HG2      GLU  70  10.964  -6.807  -5.070
  547    HG3  GLU  70           HG3      GLU  70  10.961  -5.044  -5.166
  548    H    ASN  71           H        ASN  71  10.735  -7.842  -6.801
  549    HA   ASN  71           HA       ASN  71   8.886  -9.971  -7.775
  550    HB2  ASN  71           HB2      ASN  71  10.297  -9.240  -9.664
  551    HB3  ASN  71           HB3      ASN  71  11.755  -9.440  -8.680
  552   HD21  ASN  71          HD22      ASN  71   9.313 -11.092 -10.603
  553   HD22  ASN  71          HD21      ASN  71   9.920 -12.719 -10.303
  554    H    ALA  72           H        ALA  72   8.945 -11.719  -6.492
  555    HA   ALA  72           HA       ALA  72  11.089 -11.857  -4.430
  556    HB1  ALA  72           HB1      ALA  72   8.894 -11.204  -3.532
  557    HB2  ALA  72           HB2      ALA  72   8.165 -12.668  -4.227
  558    HB3  ALA  72           HB3      ALA  72   9.384 -12.801  -2.939
  559    H    GLY  73           H        GLY  73  10.854 -13.139  -7.227
  560    HA2  GLY  73           HA2      GLY  73  11.625 -15.066  -8.156
  561    HA3  GLY  73           HA3      GLY  73  12.106 -15.610  -6.541
  562    H    GLY  74           H        GLY  74  10.779 -17.101  -5.439
  563    HA2  GLY  74           HA2      GLY  74   8.101 -17.617  -6.390
  564    HA3  GLY  74           HA3      GLY  74   9.250 -18.889  -6.817
  565    H    LEU  75           H        LEU  75   7.178 -19.560  -5.379
  566    HA   LEU  75           HA       LEU  75   7.160 -18.972  -2.671
  567    HB2  LEU  75           HB2      LEU  75   5.327 -19.845  -4.183
  568    HB3  LEU  75           HB3      LEU  75   6.019 -21.457  -4.012
  569    HG   LEU  75           HG       LEU  75   5.530 -21.475  -1.623
  570   HD11  LEU  75          HD11      LEU  75   5.898 -19.188  -0.913
  571   HD12  LEU  75          HD12      LEU  75   4.669 -18.586  -2.036
  572   HD13  LEU  75          HD13      LEU  75   4.193 -19.543  -0.618
  573   HD21  LEU  75          HD21      LEU  75   3.062 -21.255  -1.745
  574   HD22  LEU  75          HD22      LEU  75   3.208 -20.409  -3.286
  575   HD23  LEU  75          HD23      LEU  75   3.734 -22.102  -3.147
  576    H    LYS  76           H        LYS  76   9.112 -21.343  -4.299
  577    HA   LYS  76           HA       LYS  76   9.724 -23.015  -2.038
  578    HB2  LYS  76           HB2      LYS  76  11.277 -22.292  -4.575
  579    HB3  LYS  76           HB3      LYS  76  11.816 -23.512  -3.419
  580    HG2  LYS  76           HG2      LYS  76   9.923 -24.929  -3.857
  581    HG3  LYS  76           HG3      LYS  76   9.118 -23.683  -4.831
  582    HD2  LYS  76           HD2      LYS  76  10.849 -23.779  -6.529
  583    HD3  LYS  76           HD3      LYS  76  11.811 -24.917  -5.558
  584    HE2  LYS  76           HE2      LYS  76  10.130 -26.641  -5.759
  585    HE3  LYS  76           HE3      LYS  76   8.976 -25.516  -6.490
  586    HZ1  LYS  76           HZ1      LYS  76  11.539 -26.262  -7.770
  587    HZ2  LYS  76           HZ2      LYS  76  10.114 -26.973  -8.110
  588    HZ3  LYS  76           HZ3      LYS  76  10.310 -25.381  -8.432
  589    H    ASP  77           H        ASP  77  11.044 -19.901  -3.223
  590    HA   ASP  77           HA       ASP  77  13.264 -19.960  -1.293
  591    HB2  ASP  77           HB2      ASP  77  13.583 -18.957  -3.513
  592    HB3  ASP  77           HB3      ASP  77  12.276 -17.809  -3.207
  593    H    ILE  78           H        ILE  78  10.054 -18.497  -1.673
  594    HA   ILE  78           HA       ILE  78  10.281 -16.591   0.465
  595    HB   ILE  78           HB       ILE  78   7.892 -17.857  -0.926
  596   HG12  ILE  78          HG12      ILE  78   9.033 -15.033  -1.181
  597   HG13  ILE  78          HG13      ILE  78   9.483 -16.346  -2.259
  598   HG21  ILE  78          HG21      ILE  78   7.915 -15.523   1.043
  599   HG22  ILE  78          HG22      ILE  78   6.529 -16.000   0.052
  600   HG23  ILE  78          HG23      ILE  78   7.121 -17.107   1.270
  601   HD11  ILE  78          HD11      ILE  78   7.815 -15.031  -3.341
  602   HD12  ILE  78          HD12      ILE  78   7.106 -16.609  -2.953
  603   HD13  ILE  78          HD13      ILE  78   6.693 -15.174  -1.985
  604    H    ALA  79           H        ALA  79  10.098 -16.871   2.617
  605    HA   ALA  79           HA       ALA  79   9.150 -19.481   3.672
  606    HB1  ALA  79           HB1      ALA  79  11.431 -17.751   4.733
  607    HB2  ALA  79           HB2      ALA  79  10.900 -19.314   5.392
  608    HB3  ALA  79           HB3      ALA  79  11.631 -19.241   3.779
  609    H    MET  80           H        MET  80   7.667 -17.076   3.193
  610    HA   MET  80           HA       MET  80   6.868 -15.979   5.800
  611    HB2  MET  80           HB2      MET  80   5.634 -15.885   3.003
  612    HB3  MET  80           HB3      MET  80   4.854 -15.204   4.428
  613    HG2  MET  80           HG2      MET  80   6.818 -13.744   4.821
  614    HG3  MET  80           HG3      MET  80   7.580 -14.400   3.371
  615    HE1  MET  80           HE1      MET  80   4.772 -12.130   4.863
  616    HE2  MET  80           HE2      MET  80   3.862 -11.612   3.427
  617    HE3  MET  80           HE3      MET  80   3.730 -13.285   4.000
  618    HA   PRO  81           HA       PRO  81   4.131 -19.284   7.053
  619    HB2  PRO  81           HB2      PRO  81   1.921 -17.220   7.048
  620    HB3  PRO  81           HB3      PRO  81   2.305 -18.448   8.294
  621    HG2  PRO  81           HG2      PRO  81   3.060 -15.864   8.631
  622    HG3  PRO  81           HG3      PRO  81   4.200 -17.190   9.038
  623    HD2  PRO  81           HD2      PRO  81   4.119 -15.461   6.565
  624    HD3  PRO  81           HD3      PRO  81   5.530 -16.001   7.527
  625    H    LYS  82           H        LYS  82   2.753 -20.790   6.067
  626    HA   LYS  82           HA       LYS  82   1.884 -20.098   3.297
  627    HB2  LYS  82           HB2      LYS  82   2.776 -22.800   4.382
  628    HB3  LYS  82           HB3      LYS  82   2.335 -22.441   2.722
  629    HG2  LYS  82           HG2      LYS  82   4.799 -21.418   4.176
  630    HG3  LYS  82           HG3      LYS  82   4.710 -22.717   2.977
  631    HD2  LYS  82           HD2      LYS  82   4.024 -21.113   1.235
  632    HD3  LYS  82           HD3      LYS  82   3.992 -19.808   2.419
  633    HE2  LYS  82           HE2      LYS  82   5.996 -19.614   1.111
  634    HE3  LYS  82           HE3      LYS  82   6.421 -19.993   2.775
  635    HZ1  LYS  82           HZ1      LYS  82   7.102 -22.112   2.142
  636    HZ2  LYS  82           HZ2      LYS  82   6.268 -22.145   0.741
  637    HZ3  LYS  82           HZ3      LYS  82   7.609 -21.185   0.886
  638    H    VAL  83           H        VAL  83   0.193 -21.431   2.444
  639    HA   VAL  83           HA       VAL  83  -1.648 -22.786   4.325
  640    HB   VAL  83           HB       VAL  83  -2.475 -21.059   1.933
  641   HG11  VAL  83          HG11      VAL  83  -4.149 -22.461   4.070
  642   HG12  VAL  83          HG12      VAL  83  -4.777 -21.396   2.795
  643   HG13  VAL  83          HG13      VAL  83  -4.026 -22.930   2.358
  644   HG21  VAL  83          HG21      VAL  83  -1.762 -19.551   3.698
  645   HG22  VAL  83          HG22      VAL  83  -3.521 -19.528   3.600
  646   HG23  VAL  83          HG23      VAL  83  -2.722 -20.435   4.907
  647    H    LYS  84           H        LYS  84  -2.438 -24.767   3.271
  648    HA   LYS  84           HA       LYS  84  -1.156 -25.484   0.695
  649    HB2  LYS  84           HB2      LYS  84  -0.741 -26.955   3.345
  650    HB3  LYS  84           HB3      LYS  84  -0.341 -27.608   1.755
  651    HG2  LYS  84           HG2      LYS  84   1.188 -25.632   1.392
  652    HG3  LYS  84           HG3      LYS  84   0.918 -25.147   3.060
  653    HD2  LYS  84           HD2      LYS  84   2.994 -26.342   2.942
  654    HD3  LYS  84           HD3      LYS  84   1.836 -27.312   3.844
  655    HE2  LYS  84           HE2      LYS  84   3.196 -28.693   2.343
  656    HE3  LYS  84           HE3      LYS  84   1.489 -28.788   1.909
  657    HZ1  LYS  84           HZ1      LYS  84   1.887 -27.351   0.055
  658    HZ2  LYS  84           HZ2      LYS  84   3.441 -27.015   0.541
  659    HZ3  LYS  84           HZ3      LYS  84   3.033 -28.516   0.009
  660    H    GLY  85           H        GLY  85  -1.907 -27.746   0.024
  661    HA2  GLY  85           HA2      GLY  85  -4.364 -28.763   1.123
  662    HA3  GLY  85           HA3      GLY  85  -4.597 -27.901  -0.414
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1  -0.869   0.512   1.249
    2    H2   ALA   1           H2       ALA   1  -0.555  -1.089   1.375
    3    H3   ALA   1           H3       ALA   1   0.670  -0.011   1.471
    4    HA   ALA   1           HA       ALA   1  -0.972  -0.516  -0.922
    5    HB1  ALA   1           HB1      ALA   1  -0.281   1.844  -0.777
    6    HB2  ALA   1           HB2      ALA   1   1.416   1.350  -0.581
    7    HB3  ALA   1           HB3      ALA   1   0.554   1.009  -2.091
    8    H    GLU   2           H        GLU   2  -0.418  -2.884  -0.348
    9    HA   GLU   2           HA       GLU   2   1.875  -3.724  -1.847
   10    HB2  GLU   2           HB2      GLU   2   2.967  -3.194   0.331
   11    HB3  GLU   2           HB3      GLU   2   1.763  -4.152   1.189
   12    HG2  GLU   2           HG2      GLU   2   2.628  -6.211   0.160
   13    HG3  GLU   2           HG3      GLU   2   3.756  -5.273  -0.821
   14    H    HIS   3           H        HIS   3   1.487  -5.870  -2.551
   15    HA   HIS   3           HA       HIS   3  -0.453  -7.582  -1.149
   16    HB2  HIS   3           HB2      HIS   3  -0.751  -6.735  -4.072
   17    HB3  HIS   3           HB3      HIS   3  -1.530  -8.150  -3.378
   18    HD1  HIS   3           HD1      HIS   3  -3.248  -7.472  -1.147
   19    HD2  HIS   3           HD2      HIS   3  -2.257  -4.613  -4.076
   20    HE1  HIS   3           HE1      HIS   3  -5.018  -5.654  -0.997
   21    H    TRP   4           H        TRP   4  -0.129  -9.793  -1.666
   22    HA   TRP   4           HA       TRP   4   2.347 -10.466  -3.181
   23    HB2  TRP   4           HB2      TRP   4   0.647 -12.046  -1.210
   24    HB3  TRP   4           HB3      TRP   4   1.937 -12.740  -2.173
   25    HD1  TRP   4           HD1      TRP   4   1.447 -10.176   0.659
   26    HE1  TRP   4           HE1      TRP   4   3.535 -10.117   2.115
   27    HE3  TRP   4           HE3      TRP   4   4.432 -13.295  -2.106
   28    HZ2  TRP   4           HZ2      TRP   4   6.198 -11.283   2.095
   29    HZ3  TRP   4           HZ3      TRP   4   6.742 -13.785  -1.367
   30    HH2  TRP   4           HH2      TRP   4   7.635 -12.795   0.729
   31    H    ILE   5           H        ILE   5   1.938 -11.016  -5.304
   32    HA   ILE   5           HA       ILE   5  -0.694 -12.261  -5.937
   33    HB   ILE   5           HB       ILE   5   1.073 -10.665  -7.817
   34   HG12  ILE   5          HG12      ILE   5   0.251  -9.077  -6.158
   35   HG13  ILE   5          HG13      ILE   5  -0.496  -8.849  -7.731
   36   HG21  ILE   5          HG21      ILE   5  -1.027 -10.659  -9.202
   37   HG22  ILE   5          HG22      ILE   5  -0.322 -12.264  -8.979
   38   HG23  ILE   5          HG23      ILE   5  -1.750 -11.790  -8.042
   39   HD11  ILE   5          HD11      ILE   5  -2.585  -9.874  -6.933
   40   HD12  ILE   5          HD12      ILE   5  -1.825 -10.151  -5.343
   41   HD13  ILE   5          HD13      ILE   5  -2.090  -8.502  -5.926
   42    H    ASP   6           H        ASP   6  -0.446 -14.336  -6.204
   43    HA   ASP   6           HA       ASP   6   2.021 -15.640  -7.074
   44    HB2  ASP   6           HB2      ASP   6   0.363 -16.612  -5.466
   45    HB3  ASP   6           HB3      ASP   6  -0.843 -16.621  -6.725
   46    H    VAL   7           H        VAL   7   2.573 -15.402  -9.222
   47    HA   VAL   7           HA       VAL   7   0.415 -15.113 -11.248
   48    HB   VAL   7           HB       VAL   7   2.091 -14.225 -12.746
   49   HG11  VAL   7          HG11      VAL   7   0.868 -12.721 -11.206
   50   HG12  VAL   7          HG12      VAL   7   2.211 -12.810 -10.049
   51   HG13  VAL   7          HG13      VAL   7   2.464 -12.092 -11.653
   52   HG21  VAL   7          HG21      VAL   7   4.352 -13.726 -12.078
   53   HG22  VAL   7          HG22      VAL   7   4.109 -14.408 -10.469
   54   HG23  VAL   7          HG23      VAL   7   4.102 -15.458 -11.911
   55    H    ARG   8           H        ARG   8   1.873 -17.527  -9.860
   56    HA   ARG   8           HA       ARG   8   2.764 -19.310 -11.928
   57    HB2  ARG   8           HB2      ARG   8   3.079 -19.245  -9.367
   58    HB3  ARG   8           HB3      ARG   8   1.390 -19.800  -9.284
   59    HG2  ARG   8           HG2      ARG   8   2.030 -21.940 -10.218
   60    HG3  ARG   8           HG3      ARG   8   3.696 -21.365 -10.474
   61    HD2  ARG   8           HD2      ARG   8   3.127 -22.800  -8.352
   62    HD3  ARG   8           HD3      ARG   8   4.228 -21.441  -8.216
   63    HE   ARG   8           HE       ARG   8   2.116 -20.113  -7.502
   64   HH11  ARG   8          HH11      ARG   8   2.932 -23.432  -6.402
   65   HH12  ARG   8          HH12      ARG   8   1.833 -23.319  -5.052
   66   HH21  ARG   8          HH21      ARG   8   0.618 -20.156  -5.880
   67   HH22  ARG   8          HH22      ARG   8   0.701 -21.419  -4.635
   68    H    VAL   9           H        VAL   9   1.516 -21.291 -12.525
   69    HA   VAL   9           HA       VAL   9  -1.153 -20.764 -13.303
   70    HB   VAL   9           HB       VAL   9  -1.222 -23.221 -13.854
   71   HG11  VAL   9          HG11      VAL   9   0.405 -23.089 -15.665
   72   HG12  VAL   9          HG12      VAL   9  -0.404 -21.529 -15.464
   73   HG13  VAL   9          HG13      VAL   9   1.254 -21.752 -14.867
   74   HG21  VAL   9          HG21      VAL   9   0.292 -24.087 -12.082
   75   HG22  VAL   9          HG22      VAL   9   0.799 -24.578 -13.701
   76   HG23  VAL   9          HG23      VAL   9   1.671 -23.281 -12.863
   77    HA   PRO  10           HA       PRO  10  -3.256 -21.330  -9.582
   78    HB2  PRO  10           HB2      PRO  10  -5.803 -21.943 -10.332
   79    HB3  PRO  10           HB3      PRO  10  -5.019 -20.365 -10.709
   80    HG2  PRO  10           HG2      PRO  10  -5.239 -22.790 -12.515
   81    HG3  PRO  10           HG3      PRO  10  -5.691 -21.090 -12.881
   82    HD2  PRO  10           HD2      PRO  10  -3.273 -22.078 -13.599
   83    HD3  PRO  10           HD3      PRO  10  -3.431 -20.411 -12.971
   84    H    GLU  11           H        GLU  11  -3.035 -24.134 -11.662
   85    HA   GLU  11           HA       GLU  11  -4.127 -26.135  -9.971
   86    HB2  GLU  11           HB2      GLU  11  -1.766 -26.251 -11.896
   87    HB3  GLU  11           HB3      GLU  11  -2.541 -27.659 -11.152
   88    HG2  GLU  11           HG2      GLU  11  -4.709 -27.007 -12.208
   89    HG3  GLU  11           HG3      GLU  11  -3.901 -25.659 -13.012
   90    H    GLN  12           H        GLN  12  -0.938 -24.464  -9.873
   91    HA   GLN  12           HA       GLN  12   0.029 -26.229  -7.740
   92    HB2  GLN  12           HB2      GLN  12   1.178 -23.738  -9.010
   93    HB3  GLN  12           HB3      GLN  12   1.965 -24.715  -7.751
   94    HG2  GLN  12           HG2      GLN  12   1.952 -26.688  -9.245
   95    HG3  GLN  12           HG3      GLN  12   1.221 -25.716 -10.520
   96   HE21  GLN  12          HE22      GLN  12   2.887 -25.574 -12.055
   97   HE22  GLN  12          HE21      GLN  12   4.488 -24.975 -11.694
   98    H    TYR  13           H        TYR  13  -1.524 -23.021  -8.011
   99    HA   TYR  13           HA       TYR  13  -1.146 -22.123  -5.341
  100    HB2  TYR  13           HB2      TYR  13  -2.095 -20.717  -7.100
  101    HB3  TYR  13           HB3      TYR  13  -3.488 -21.768  -7.240
  102    HD1  TYR  13           HD2      TYR  13  -1.818 -19.284  -5.033
  103    HD2  TYR  13           HD1      TYR  13  -5.368 -21.629  -5.750
  104    HE1  TYR  13           HE2      TYR  13  -3.052 -17.914  -3.377
  105    HE2  TYR  13           HE1      TYR  13  -6.603 -20.282  -4.089
  106    HH   TYR  13           HH       TYR  13  -6.514 -18.501  -2.592
  107    H    GLN  14           H        GLN  14  -3.519 -24.409  -6.701
  108    HA   GLN  14           HA       GLN  14  -4.935 -24.822  -4.244
  109    HB2  GLN  14           HB2      GLN  14  -4.656 -26.409  -6.821
  110    HB3  GLN  14           HB3      GLN  14  -5.695 -26.944  -5.496
  111    HG2  GLN  14           HG2      GLN  14  -7.105 -25.049  -5.639
  112    HG3  GLN  14           HG3      GLN  14  -5.969 -24.139  -6.630
  113   HE21  GLN  14          HE22      GLN  14  -5.733 -24.610  -8.865
  114   HE22  GLN  14          HE21      GLN  14  -6.948 -25.539  -9.736
  115    H    GLN  15           H        GLN  15  -1.707 -25.731  -4.994
  116    HA   GLN  15           HA       GLN  15  -1.822 -28.065  -3.161
  117    HB2  GLN  15           HB2      GLN  15   0.605 -27.126  -4.705
  118    HB3  GLN  15           HB3      GLN  15   0.339 -28.666  -3.893
  119    HG2  GLN  15           HG2      GLN  15  -0.823 -27.653  -6.480
  120    HG3  GLN  15           HG3      GLN  15   0.161 -29.079  -6.236
  121   HE21  GLN  15          HE22      GLN  15  -2.803 -28.229  -7.163
  122   HE22  GLN  15          HE21      GLN  15  -3.767 -29.539  -6.496
  123    H    GLU  16           H        GLU  16  -0.102 -24.935  -3.630
  124    HA   GLU  16           HA       GLU  16   0.004 -24.497  -0.739
  125    HB2  GLU  16           HB2      GLU  16   1.958 -25.983  -1.143
  126    HB3  GLU  16           HB3      GLU  16   2.565 -24.866  -2.369
  127    HG2  GLU  16           HG2      GLU  16   2.893 -23.127  -0.654
  128    HG3  GLU  16           HG3      GLU  16   2.174 -24.158   0.572
  129    H    HIS  17           H        HIS  17   0.279 -22.251  -0.289
  130    HA   HIS  17           HA       HIS  17   1.309 -20.447  -2.313
  131    HB2  HIS  17           HB2      HIS  17  -0.768 -18.993  -2.249
  132    HB3  HIS  17           HB3      HIS  17  -0.895 -20.488  -3.162
  133    HD1  HIS  17           HD1      HIS  17  -2.733 -22.231  -2.394
  134    HD2  HIS  17           HD2      HIS  17  -2.292 -18.811   0.022
  135    HE1  HIS  17           HE1      HIS  17  -4.733 -22.196  -0.822
  136    H    VAL  18           H        VAL  18   1.418 -18.162  -1.421
  137    HA   VAL  18           HA       VAL  18   2.329 -18.169   1.328
  138    HB   VAL  18           HB       VAL  18   1.905 -15.966  -0.736
  139   HG11  VAL  18          HG11      VAL  18   1.764 -14.938   1.494
  140   HG12  VAL  18          HG12      VAL  18   3.236 -15.800   2.002
  141   HG13  VAL  18          HG13      VAL  18   3.311 -14.544   0.750
  142   HG21  VAL  18          HG21      VAL  18   4.398 -17.380   0.282
  143   HG22  VAL  18          HG22      VAL  18   3.708 -17.484  -1.352
  144   HG23  VAL  18          HG23      VAL  18   4.388 -15.960  -0.793
  145    H    GLN  19           H        GLN  19   1.276 -17.298   3.088
  146    HA   GLN  19           HA       GLN  19  -1.517 -17.735   3.185
  147    HB2  GLN  19           HB2      GLN  19   0.191 -17.996   5.002
  148    HB3  GLN  19           HB3      GLN  19   0.264 -16.243   5.169
  149    HG2  GLN  19           HG2      GLN  19  -2.044 -16.168   5.922
  150    HG3  GLN  19           HG3      GLN  19  -2.301 -17.863   5.509
  151   HE21  GLN  19          HE22      GLN  19  -0.534 -19.449   6.654
  152   HE22  GLN  19          HE21      GLN  19  -0.335 -19.105   8.352
  153    H    GLY  20           H        GLY  20  -3.105 -16.483   2.431
  154    HA2  GLY  20           HA2      GLY  20  -4.436 -14.642   2.182
  155    HA3  GLY  20           HA3      GLY  20  -3.211 -13.635   2.959
  156    H    ALA  21           H        ALA  21  -1.754 -15.357   0.347
  157    HA   ALA  21           HA       ALA  21  -1.530 -12.956  -1.264
  158    HB1  ALA  21           HB1      ALA  21  -0.837 -15.866  -1.868
  159    HB2  ALA  21           HB2      ALA  21  -0.403 -14.472  -2.874
  160    HB3  ALA  21           HB3      ALA  21   0.258 -14.607  -1.234
  161    H    ILE  22           H        ILE  22  -2.275 -12.700  -3.416
  162    HA   ILE  22           HA       ILE  22  -4.924 -13.905  -4.030
  163    HB   ILE  22           HB       ILE  22  -3.444 -11.909  -5.760
  164   HG12  ILE  22          HG12      ILE  22  -3.337 -10.773  -3.610
  165   HG13  ILE  22          HG13      ILE  22  -4.453  -9.979  -4.687
  166   HG21  ILE  22          HG21      ILE  22  -6.404 -12.437  -5.273
  167   HG22  ILE  22          HG22      ILE  22  -5.763 -11.144  -6.305
  168   HG23  ILE  22          HG23      ILE  22  -5.465 -12.827  -6.725
  169   HD11  ILE  22          HD11      ILE  22  -6.385 -10.928  -3.473
  170   HD12  ILE  22          HD12      ILE  22  -5.286 -11.839  -2.409
  171   HD13  ILE  22          HD13      ILE  22  -5.302 -10.067  -2.371
  172    H    ASN  23           H        ASN  23  -5.103 -14.963  -6.224
  173    HA   ASN  23           HA       ASN  23  -2.501 -15.588  -7.509
  174    HB2  ASN  23           HB2      ASN  23  -3.113 -17.692  -6.584
  175    HB3  ASN  23           HB3      ASN  23  -4.781 -17.555  -7.161
  176   HD21  ASN  23          HD22      ASN  23  -1.497 -18.580  -8.057
  177   HD22  ASN  23          HD21      ASN  23  -1.821 -18.797  -9.761
  178    H    ILE  24           H        ILE  24  -2.390 -14.818  -9.416
  179    HA   ILE  24           HA       ILE  24  -4.747 -14.586 -11.118
  180    HB   ILE  24           HB       ILE  24  -2.935 -12.174 -10.873
  181   HG12  ILE  24          HG12      ILE  24  -5.563 -12.482  -9.406
  182   HG13  ILE  24          HG13      ILE  24  -3.954 -12.233  -8.709
  183   HG21  ILE  24          HG21      ILE  24  -4.631 -11.097 -12.190
  184   HG22  ILE  24          HG22      ILE  24  -4.106 -12.606 -12.943
  185   HG23  ILE  24          HG23      ILE  24  -5.659 -12.535 -12.099
  186   HD11  ILE  24          HD11      ILE  24  -5.557 -10.214 -10.303
  187   HD12  ILE  24          HD12      ILE  24  -5.090 -10.148  -8.599
  188   HD13  ILE  24          HD13      ILE  24  -3.844 -10.005  -9.854
  189    HA   PRO  25           HA       PRO  25  -0.977 -16.603 -12.703
  190    HB2  PRO  25           HB2      PRO  25  -2.004 -17.807 -14.945
  191    HB3  PRO  25           HB3      PRO  25  -2.284 -18.424 -13.282
  192    HG2  PRO  25           HG2      PRO  25  -4.120 -16.657 -14.917
  193    HG3  PRO  25           HG3      PRO  25  -4.524 -18.166 -14.033
  194    HD2  PRO  25           HD2      PRO  25  -4.948 -15.725 -12.928
  195    HD3  PRO  25           HD3      PRO  25  -4.364 -17.087 -11.935
  196    H    LEU  26           H        LEU  26   0.496 -16.069 -14.445
  197    HA   LEU  26           HA       LEU  26   0.729 -13.447 -14.871
  198    HB2  LEU  26           HB2      LEU  26   2.475 -15.111 -15.171
  199    HB3  LEU  26           HB3      LEU  26   1.748 -15.677 -16.673
  200    HG   LEU  26           HG       LEU  26   2.353 -13.656 -17.841
  201   HD11  LEU  26          HD11      LEU  26   2.027 -11.853 -16.341
  202   HD12  LEU  26          HD12      LEU  26   3.049 -12.585 -15.090
  203   HD13  LEU  26          HD13      LEU  26   3.763 -11.898 -16.569
  204   HD21  LEU  26          HD21      LEU  26   4.102 -15.405 -17.485
  205   HD22  LEU  26          HD22      LEU  26   4.795 -13.786 -17.666
  206   HD23  LEU  26          HD23      LEU  26   4.671 -14.521 -16.053
  207    H    LYS  27           H        LYS  27  -0.860 -15.504 -17.367
  208    HA   LYS  27           HA       LYS  27  -1.258 -13.475 -19.283
  209    HB2  LYS  27           HB2      LYS  27  -1.547 -15.926 -19.636
  210    HB3  LYS  27           HB3      LYS  27  -3.027 -15.886 -18.662
  211    HG2  LYS  27           HG2      LYS  27  -4.051 -14.312 -20.283
  212    HG3  LYS  27           HG3      LYS  27  -2.573 -14.324 -21.248
  213    HD2  LYS  27           HD2      LYS  27  -4.370 -16.722 -20.667
  214    HD3  LYS  27           HD3      LYS  27  -4.391 -15.789 -22.156
  215    HE2  LYS  27           HE2      LYS  27  -2.012 -17.411 -21.134
  216    HE3  LYS  27           HE3      LYS  27  -3.174 -17.956 -22.340
  217    HZ1  LYS  27           HZ1      LYS  27  -1.359 -15.639 -22.678
  218    HZ2  LYS  27           HZ2      LYS  27  -1.204 -17.093 -23.391
  219    HZ3  LYS  27           HZ3      LYS  27  -2.463 -16.140 -23.778
  220    H    GLU  28           H        GLU  28  -3.182 -14.343 -16.386
  221    HA   GLU  28           HA       GLU  28  -5.240 -12.341 -16.979
  222    HB2  GLU  28           HB2      GLU  28  -4.749 -14.281 -14.709
  223    HB3  GLU  28           HB3      GLU  28  -5.812 -12.892 -14.472
  224    HG2  GLU  28           HG2      GLU  28  -7.324 -13.500 -16.118
  225    HG3  GLU  28           HG3      GLU  28  -6.258 -14.755 -16.792
  226    H    VAL  29           H        VAL  29  -2.218 -12.509 -15.019
  227    HA   VAL  29           HA       VAL  29  -2.982 -10.388 -13.347
  228    HB   VAL  29           HB       VAL  29  -0.891 -11.964 -13.261
  229   HG11  VAL  29          HG11      VAL  29   1.244 -10.930 -13.640
  230   HG12  VAL  29          HG12      VAL  29   0.355 -10.896 -15.165
  231   HG13  VAL  29          HG13      VAL  29   0.496  -9.424 -14.203
  232   HG21  VAL  29          HG21      VAL  29   0.023 -10.559 -11.478
  233   HG22  VAL  29          HG22      VAL  29  -0.790  -9.133 -12.136
  234   HG23  VAL  29          HG23      VAL  29  -1.742 -10.461 -11.446
  235    H    LYS  30           H        LYS  30  -1.473 -10.250 -16.500
  236    HA   LYS  30           HA       LYS  30  -1.316  -7.401 -16.615
  237    HB2  LYS  30           HB2      LYS  30  -0.063  -9.357 -17.944
  238    HB3  LYS  30           HB3      LYS  30  -1.457  -9.300 -18.997
  239    HG2  LYS  30           HG2      LYS  30  -0.847  -6.618 -18.921
  240    HG3  LYS  30           HG3      LYS  30   0.707  -7.233 -18.484
  241    HD2  LYS  30           HD2      LYS  30   0.603  -6.829 -20.886
  242    HD3  LYS  30           HD3      LYS  30   0.756  -8.566 -20.607
  243    HE2  LYS  30           HE2      LYS  30  -0.898  -8.057 -22.383
  244    HE3  LYS  30           HE3      LYS  30  -1.621  -8.907 -21.020
  245    HZ1  LYS  30           HZ1      LYS  30  -3.078  -7.166 -21.614
  246    HZ2  LYS  30           HZ2      LYS  30  -2.420  -6.715 -20.213
  247    HZ3  LYS  30           HZ3      LYS  30  -1.890  -6.020 -21.616
  248    H    GLU  31           H        GLU  31  -4.117  -9.114 -16.457
  249    HA   GLU  31           HA       GLU  31  -5.643  -7.125 -18.073
  250    HB2  GLU  31           HB2      GLU  31  -5.947 -10.156 -17.966
  251    HB3  GLU  31           HB3      GLU  31  -7.181  -9.097 -18.625
  252    HG2  GLU  31           HG2      GLU  31  -4.346  -9.404 -19.700
  253    HG3  GLU  31           HG3      GLU  31  -5.795 -10.135 -20.371
  254    H    ARG  32           H        ARG  32  -5.228  -8.841 -15.104
  255    HA   ARG  32           HA       ARG  32  -7.917  -8.072 -14.131
  256    HB2  ARG  32           HB2      ARG  32  -7.683 -10.453 -14.687
  257    HB3  ARG  32           HB3      ARG  32  -6.369 -10.610 -13.519
  258    HG2  ARG  32           HG2      ARG  32  -7.815 -10.265 -11.658
  259    HG3  ARG  32           HG3      ARG  32  -9.071  -9.547 -12.674
  260    HD2  ARG  32           HD2      ARG  32  -9.953 -11.638 -12.152
  261    HD3  ARG  32           HD3      ARG  32  -9.328 -11.821 -13.792
  262    HE   ARG  32           HE       ARG  32  -7.957 -13.467 -13.093
  263   HH11  ARG  32          HH11      ARG  32  -8.881 -11.736 -10.108
  264   HH12  ARG  32          HH12      ARG  32  -8.212 -12.954  -9.085
  265   HH21  ARG  32          HH21      ARG  32  -7.178 -14.963 -11.853
  266   HH22  ARG  32          HH22      ARG  32  -7.021 -14.811 -10.100
  267    H    ILE  33           H        ILE  33  -4.449  -7.792 -13.450
  268    HA   ILE  33           HA       ILE  33  -4.730  -7.521 -10.632
  269    HB   ILE  33           HB       ILE  33  -2.528  -7.677 -11.856
  270   HG12  ILE  33          HG12      ILE  33  -1.229  -6.220 -10.379
  271   HG13  ILE  33          HG13      ILE  33  -2.648  -5.286  -9.969
  272   HG21  ILE  33          HG21      ILE  33  -2.957  -5.819 -13.559
  273   HG22  ILE  33          HG22      ILE  33  -2.784  -4.673 -12.194
  274   HG23  ILE  33          HG23      ILE  33  -1.428  -5.682 -12.678
  275   HD11  ILE  33          HD11      ILE  33  -3.600  -7.261  -8.786
  276   HD12  ILE  33          HD12      ILE  33  -2.231  -8.254  -9.345
  277   HD13  ILE  33          HD13      ILE  33  -1.963  -6.917  -8.209
  278    H    ALA  34           H        ALA  34  -5.191  -5.148 -13.283
  279    HA   ALA  34           HA       ALA  34  -5.675  -2.905 -11.716
  280    HB1  ALA  34           HB1      ALA  34  -5.435  -2.864 -14.169
  281    HB2  ALA  34           HB2      ALA  34  -7.019  -3.666 -14.344
  282    HB3  ALA  34           HB3      ALA  34  -6.915  -2.031 -13.660
  283    H    THR  35           H        THR  35  -7.865  -5.656 -12.156
  284    HA   THR  35           HA       THR  35 -10.234  -4.255 -11.367
  285    HB   THR  35           HB       THR  35  -9.731  -7.254 -11.208
  286    HG1  THR  35           HG1      THR  35 -10.273  -7.294 -13.427
  287   HG21  THR  35          HG21      THR  35 -12.090  -7.394 -11.979
  288   HG22  THR  35          HG22      THR  35 -11.963  -6.509 -10.456
  289   HG23  THR  35          HG23      THR  35 -12.196  -5.617 -11.975
  290    H    ALA  36           H        ALA  36  -7.607  -5.759  -9.564
  291    HA   ALA  36           HA       ALA  36  -9.169  -5.511  -7.010
  292    HB1  ALA  36           HB1      ALA  36  -7.600  -7.210  -6.150
  293    HB2  ALA  36           HB2      ALA  36  -8.484  -7.803  -7.571
  294    HB3  ALA  36           HB3      ALA  36  -6.793  -7.273  -7.733
  295    H    VAL  37           H        VAL  37  -6.389  -4.461  -8.781
  296    HA   VAL  37           HA       VAL  37  -5.314  -2.768  -6.608
  297    HB   VAL  37           HB       VAL  37  -3.819  -4.705  -8.396
  298   HG11  VAL  37          HG11      VAL  37  -2.693  -3.048  -6.120
  299   HG12  VAL  37          HG12      VAL  37  -1.827  -4.229  -7.146
  300   HG13  VAL  37          HG13      VAL  37  -2.425  -2.751  -7.857
  301   HG21  VAL  37          HG21      VAL  37  -4.851  -6.091  -6.786
  302   HG22  VAL  37          HG22      VAL  37  -3.182  -5.906  -6.281
  303   HG23  VAL  37          HG23      VAL  37  -4.458  -4.971  -5.461
  304    HA   PRO  38           HA       PRO  38  -5.740  -0.695 -10.812
  305    HB2  PRO  38           HB2      PRO  38  -7.287   1.453 -10.034
  306    HB3  PRO  38           HB3      PRO  38  -7.948  -0.100 -10.612
  307    HG2  PRO  38           HG2      PRO  38  -7.613   0.848  -7.763
  308    HG3  PRO  38           HG3      PRO  38  -9.002  -0.018  -8.505
  309    HD2  PRO  38           HD2      PRO  38  -7.074  -1.295  -7.010
  310    HD3  PRO  38           HD3      PRO  38  -7.910  -2.077  -8.384
  311    H    ASP  39           H        ASP  39  -4.799   0.193  -7.540
  312    HA   ASP  39           HA       ASP  39  -3.466   2.675  -8.185
  313    HB2  ASP  39           HB2      ASP  39  -4.138   2.215  -5.906
  314    HB3  ASP  39           HB3      ASP  39  -3.142   0.756  -5.856
  315    H    LYS  40           H        LYS  40  -2.018   2.547  -9.828
  316    HA   LYS  40           HA       LYS  40  -0.312   0.341 -10.348
  317    HB2  LYS  40           HB2      LYS  40  -0.136   3.263 -11.211
  318    HB3  LYS  40           HB3      LYS  40   0.896   1.983 -11.829
  319    HG2  LYS  40           HG2      LYS  40  -1.347   0.721 -12.361
  320    HG3  LYS  40           HG3      LYS  40  -2.092   2.316 -12.195
  321    HD2  LYS  40           HD2      LYS  40  -0.543   3.180 -13.966
  322    HD3  LYS  40           HD3      LYS  40   0.159   1.550 -14.105
  323    HE2  LYS  40           HE2      LYS  40  -2.136   0.663 -14.638
  324    HE3  LYS  40           HE3      LYS  40  -2.737   2.326 -14.656
  325    HZ1  LYS  40           HZ1      LYS  40  -0.661   1.209 -16.460
  326    HZ2  LYS  40           HZ2      LYS  40  -2.200   1.570 -16.876
  327    HZ3  LYS  40           HZ3      LYS  40  -1.174   2.773 -16.480
  328    H    ASN  41           H        ASN  41  -0.017   2.672  -7.822
  329    HA   ASN  41           HA       ASN  41   2.922   2.251  -7.612
  330    HB2  ASN  41           HB2      ASN  41   1.630   4.574  -7.482
  331    HB3  ASN  41           HB3      ASN  41   1.340   4.081  -5.817
  332   HD21  ASN  41          HD22      ASN  41   3.609   3.122  -4.798
  333   HD22  ASN  41          HD21      ASN  41   4.947   4.242  -5.006
  334    H    ASP  42           H        ASP  42   0.290   0.451  -6.780
  335    HA   ASP  42           HA       ASP  42   0.788  -0.073  -3.972
  336    HB2  ASP  42           HB2      ASP  42  -1.231  -0.876  -5.348
  337    HB3  ASP  42           HB3      ASP  42  -0.119  -2.102  -6.013
  338    H    THR  43           H        THR  43   2.206  -1.645  -3.075
  339    HA   THR  43           HA       THR  43   4.428  -2.458  -4.731
  340    HB   THR  43           HB       THR  43   3.917  -3.212  -1.851
  341    HG1  THR  43           HG1      THR  43   4.045  -1.078  -1.842
  342   HG21  THR  43          HG21      THR  43   6.319  -3.242  -3.715
  343   HG22  THR  43          HG22      THR  43   6.408  -3.508  -1.943
  344   HG23  THR  43          HG23      THR  43   5.503  -4.630  -2.979
  345    H    VAL  44           H        VAL  44   3.252  -3.579  -6.297
  346    HA   VAL  44           HA       VAL  44   1.855  -6.052  -5.632
  347    HB   VAL  44           HB       VAL  44   2.831  -5.179  -8.398
  348   HG11  VAL  44          HG11      VAL  44   0.936  -6.569  -9.144
  349   HG12  VAL  44          HG12      VAL  44   2.012  -7.535  -8.125
  350   HG13  VAL  44          HG13      VAL  44   0.495  -6.886  -7.455
  351   HG21  VAL  44          HG21      VAL  44   0.430  -4.305  -8.634
  352   HG22  VAL  44          HG22      VAL  44   0.357  -4.346  -6.855
  353   HG23  VAL  44          HG23      VAL  44   1.531  -3.309  -7.684
  354    H    LYS  45           H        LYS  45   3.224  -7.439  -4.545
  355    HA   LYS  45           HA       LYS  45   5.880  -8.069  -5.608
  356    HB2  LYS  45           HB2      LYS  45   4.224  -9.704  -3.667
  357    HB3  LYS  45           HB3      LYS  45   5.944  -9.841  -3.989
  358    HG2  LYS  45           HG2      LYS  45   6.252  -7.526  -3.030
  359    HG3  LYS  45           HG3      LYS  45   4.520  -7.516  -2.632
  360    HD2  LYS  45           HD2      LYS  45   4.880  -9.658  -1.359
  361    HD3  LYS  45           HD3      LYS  45   6.628  -9.464  -1.554
  362    HE2  LYS  45           HE2      LYS  45   4.789  -7.362  -0.354
  363    HE3  LYS  45           HE3      LYS  45   5.530  -8.620   0.637
  364    HZ1  LYS  45           HZ1      LYS  45   6.637  -6.339   0.406
  365    HZ2  LYS  45           HZ2      LYS  45   7.600  -7.679   0.379
  366    HZ3  LYS  45           HZ3      LYS  45   7.269  -6.895  -1.014
  367    H    VAL  46           H        VAL  46   6.260  -9.749  -7.098
  368    HA   VAL  46           HA       VAL  46   3.931 -11.481  -7.805
  369    HB   VAL  46           HB       VAL  46   4.949 -11.689 -10.054
  370   HG11  VAL  46          HG11      VAL  46   3.003 -10.225  -9.580
  371   HG12  VAL  46          HG12      VAL  46   4.102  -8.859  -9.297
  372   HG13  VAL  46          HG13      VAL  46   4.004  -9.613 -10.904
  373   HG21  VAL  46          HG21      VAL  46   6.479  -9.991 -10.905
  374   HG22  VAL  46          HG22      VAL  46   6.594  -9.222  -9.320
  375   HG23  VAL  46          HG23      VAL  46   7.258 -10.852  -9.575
  376    H    TYR  47           H        TYR  47   4.229 -13.649  -7.592
  377    HA   TYR  47           HA       TYR  47   6.979 -14.685  -7.495
  378    HB2  TYR  47           HB2      TYR  47   6.847 -15.707  -5.459
  379    HB3  TYR  47           HB3      TYR  47   6.220 -14.115  -5.129
  380    HD1  TYR  47           HD2      TYR  47   5.440 -17.704  -5.366
  381    HD2  TYR  47           HD1      TYR  47   3.815 -13.803  -4.516
  382    HE1  TYR  47           HE2      TYR  47   3.435 -18.766  -4.426
  383    HE2  TYR  47           HE1      TYR  47   1.838 -14.874  -3.457
  384    HH   TYR  47           HH       TYR  47   1.327 -18.418  -3.575
  385    H    CYS  48           H        CYS  48   6.963 -17.142  -7.561
  386    HA   CYS  48           HA       CYS  48   4.538 -18.419  -8.376
  387    HB2  CYS  48           HB2      CYS  48   5.360 -19.174 -10.594
  388    HB3  CYS  48           HB3      CYS  48   5.251 -17.416 -10.517
  389    HG   CYS  48           HG       CYS  48   7.778 -16.989  -9.925
  390    H    ASN  49           H        ASN  49   6.517 -20.560  -9.639
  391    HA   ASN  49           HA       ASN  49   6.563 -22.139  -7.227
  392    HB2  ASN  49           HB2      ASN  49   6.309 -23.044  -9.556
  393    HB3  ASN  49           HB3      ASN  49   8.000 -22.654  -9.874
  394   HD21  ASN  49          HD22      ASN  49   5.821 -24.988  -8.536
  395   HD22  ASN  49          HD21      ASN  49   7.030 -26.041  -7.834
  396    H    ALA  50           H        ALA  50   9.186 -20.606  -9.158
  397    HA   ALA  50           HA       ALA  50  10.808 -20.322  -6.691
  398    HB1  ALA  50           HB1      ALA  50  11.810 -21.730  -9.206
  399    HB2  ALA  50           HB2      ALA  50  12.750 -21.395  -7.735
  400    HB3  ALA  50           HB3      ALA  50  11.388 -22.527  -7.674
  401    H    GLY  51           H        GLY  51   9.732 -18.879  -9.618
  402    HA2  GLY  51           HA2      GLY  51  10.649 -16.460  -9.611
  403    HA3  GLY  51           HA3      GLY  51  12.192 -17.233  -9.943
  404    H    ARG  52           H        ARG  52  10.694 -19.346 -11.589
  405    HA   ARG  52           HA       ARG  52  11.586 -18.567 -13.983
  406    HB2  ARG  52           HB2      ARG  52  10.501 -20.421 -14.965
  407    HB3  ARG  52           HB3      ARG  52  10.838 -20.872 -13.295
  408    HG2  ARG  52           HG2      ARG  52   8.432 -20.329 -12.723
  409    HG3  ARG  52           HG3      ARG  52   8.160 -19.960 -14.437
  410    HD2  ARG  52           HD2      ARG  52   8.913 -22.335 -14.957
  411    HD3  ARG  52           HD3      ARG  52   8.771 -22.655 -13.211
  412    HE   ARG  52           HE       ARG  52   6.425 -21.321 -14.223
  413   HH11  ARG  52          HH11      ARG  52   7.885 -24.563 -14.289
  414   HH12  ARG  52          HH12      ARG  52   6.396 -25.352 -14.656
  415   HH21  ARG  52          HH21      ARG  52   4.554 -22.285 -14.699
  416   HH22  ARG  52          HH22      ARG  52   4.404 -24.008 -14.900
  417    H    GLN  53           H        GLN  53   8.337 -17.663 -12.878
  418    HA   GLN  53           HA       GLN  53   7.960 -16.198 -15.454
  419    HB2  GLN  53           HB2      GLN  53   5.559 -16.685 -15.347
  420    HB3  GLN  53           HB3      GLN  53   6.578 -18.097 -15.604
  421    HG2  GLN  53           HG2      GLN  53   6.285 -18.620 -13.116
  422    HG3  GLN  53           HG3      GLN  53   5.058 -17.348 -13.080
  423   HE21  GLN  53          HE22      GLN  53   2.952 -17.816 -14.128
  424   HE22  GLN  53          HE21      GLN  53   2.639 -19.374 -14.846
  425    H    SER  54           H        SER  54   7.930 -15.959 -11.942
  426    HA   SER  54           HA       SER  54   6.513 -13.449 -11.859
  427    HB2  SER  54           HB2      SER  54   7.848 -13.305  -9.651
  428    HB3  SER  54           HB3      SER  54   6.638 -14.586  -9.846
  429    HG   SER  54           HG       SER  54   8.689 -15.361  -9.007
  430    H    GLY  55           H        GLY  55   9.909 -14.442 -12.478
  431    HA2  GLY  55           HA2      GLY  55  11.144 -11.905 -12.415
  432    HA3  GLY  55           HA3      GLY  55  11.615 -13.262 -13.455
  433    H    GLN  56           H        GLN  56   9.521 -13.581 -15.169
  434    HA   GLN  56           HA       GLN  56   9.762 -11.361 -16.951
  435    HB2  GLN  56           HB2      GLN  56   9.438 -13.736 -17.650
  436    HB3  GLN  56           HB3      GLN  56   7.800 -13.702 -16.984
  437    HG2  GLN  56           HG2      GLN  56   7.771 -13.447 -19.410
  438    HG3  GLN  56           HG3      GLN  56   7.128 -12.025 -18.612
  439   HE21  GLN  56          HE22      GLN  56   8.400 -10.022 -18.623
  440   HE22  GLN  56          HE21      GLN  56   9.653  -9.799 -19.827
  441    H    ALA  57           H        ALA  57   7.186 -12.398 -14.671
  442    HA   ALA  57           HA       ALA  57   5.205 -10.598 -15.465
  443    HB1  ALA  57           HB1      ALA  57   4.927 -12.512 -13.876
  444    HB2  ALA  57           HB2      ALA  57   5.708 -11.526 -12.617
  445    HB3  ALA  57           HB3      ALA  57   4.175 -10.998 -13.326
  446    H    LYS  58           H        LYS  58   7.957 -10.021 -13.201
  447    HA   LYS  58           HA       LYS  58   7.090  -7.520 -12.248
  448    HB2  LYS  58           HB2      LYS  58   9.015  -8.598 -11.280
  449    HB3  LYS  58           HB3      LYS  58   9.937  -8.438 -12.793
  450    HG2  LYS  58           HG2      LYS  58   9.889  -6.015 -12.642
  451    HG3  LYS  58           HG3      LYS  58   8.772  -6.074 -11.283
  452    HD2  LYS  58           HD2      LYS  58  10.372  -6.482  -9.746
  453    HD3  LYS  58           HD3      LYS  58  11.405  -7.424 -10.847
  454    HE2  LYS  58           HE2      LYS  58  11.015  -4.408 -11.075
  455    HE3  LYS  58           HE3      LYS  58  12.289  -5.137 -10.092
  456    HZ1  LYS  58           HZ1      LYS  58  13.208  -6.144 -12.064
  457    HZ2  LYS  58           HZ2      LYS  58  12.013  -5.576 -13.030
  458    HZ3  LYS  58           HZ3      LYS  58  13.060  -4.544 -12.313
  459    H    GLU  59           H        GLU  59   8.710  -8.368 -15.333
  460    HA   GLU  59           HA       GLU  59   9.095  -5.568 -16.060
  461    HB2  GLU  59           HB2      GLU  59   9.431  -8.112 -17.701
  462    HB3  GLU  59           HB3      GLU  59   9.978  -6.500 -18.162
  463    HG2  GLU  59           HG2      GLU  59  10.996  -8.175 -15.826
  464    HG3  GLU  59           HG3      GLU  59  11.845  -7.829 -17.322
  465    H    ILE  60           H        ILE  60   6.781  -8.180 -16.824
  466    HA   ILE  60           HA       ILE  60   5.334  -6.742 -18.850
  467    HB   ILE  60           HB       ILE  60   4.799  -9.110 -17.036
  468   HG12  ILE  60          HG12      ILE  60   5.030  -8.778 -20.066
  469   HG13  ILE  60          HG13      ILE  60   6.333  -9.298 -19.005
  470   HG21  ILE  60          HG21      ILE  60   2.665  -9.555 -18.144
  471   HG22  ILE  60          HG22      ILE  60   2.606  -8.041 -17.268
  472   HG23  ILE  60          HG23      ILE  60   2.804  -8.023 -19.043
  473   HD11  ILE  60          HD11      ILE  60   5.416 -11.230 -20.098
  474   HD12  ILE  60          HD12      ILE  60   4.995 -11.315 -18.378
  475   HD13  ILE  60          HD13      ILE  60   3.773 -10.840 -19.586
  476    H    LEU  61           H        LEU  61   4.970  -6.857 -15.241
  477    HA   LEU  61           HA       LEU  61   2.732  -5.017 -15.301
  478    HB2  LEU  61           HB2      LEU  61   4.658  -5.843 -13.104
  479    HB3  LEU  61           HB3      LEU  61   3.340  -4.692 -12.863
  480    HG   LEU  61           HG       LEU  61   3.021  -7.615 -13.649
  481   HD11  LEU  61          HD11      LEU  61   3.684  -7.180 -11.296
  482   HD12  LEU  61          HD12      LEU  61   2.299  -6.086 -11.111
  483   HD13  LEU  61          HD13      LEU  61   2.036  -7.820 -11.408
  484   HD21  LEU  61          HD21      LEU  61   0.564  -7.166 -13.231
  485   HD22  LEU  61          HD22      LEU  61   0.933  -5.429 -13.256
  486   HD23  LEU  61          HD23      LEU  61   1.191  -6.433 -14.704
  487    H    SER  62           H        SER  62   6.284  -4.578 -15.193
  488    HA   SER  62           HA       SER  62   6.202  -1.745 -14.772
  489    HB2  SER  62           HB2      SER  62   8.248  -3.350 -16.359
  490    HB3  SER  62           HB3      SER  62   8.449  -1.723 -15.706
  491    HG   SER  62           HG       SER  62   8.035  -4.121 -14.207
  492    H    GLU  63           H        GLU  63   5.963  -3.753 -17.767
  493    HA   GLU  63           HA       GLU  63   5.777  -1.579 -19.576
  494    HB2  GLU  63           HB2      GLU  63   6.337  -3.895 -20.184
  495    HB3  GLU  63           HB3      GLU  63   4.697  -4.422 -19.796
  496    HG2  GLU  63           HG2      GLU  63   3.770  -3.043 -21.576
  497    HG3  GLU  63           HG3      GLU  63   5.359  -2.341 -21.910
  498    H    MET  64           H        MET  64   3.291  -3.286 -17.644
  499    HA   MET  64           HA       MET  64   1.027  -1.775 -18.611
  500    HB2  MET  64           HB2      MET  64   1.562  -3.346 -16.064
  501    HB3  MET  64           HB3      MET  64   0.047  -2.518 -16.344
  502    HG2  MET  64           HG2      MET  64   1.132  -4.470 -18.385
  503    HG3  MET  64           HG3      MET  64   0.249  -5.027 -16.969
  504    HE1  MET  64           HE1      MET  64  -2.137  -3.227 -16.363
  505    HE2  MET  64           HE2      MET  64  -3.357  -3.964 -17.425
  506    HE3  MET  64           HE3      MET  64  -2.174  -4.988 -16.581
  507    H    GLY  65           H        GLY  65   3.752  -0.683 -16.882
  508    HA2  GLY  65           HA2      GLY  65   4.180   1.465 -16.243
  509    HA3  GLY  65           HA3      GLY  65   2.469   1.884 -16.412
  510    H    TYR  66           H        TYR  66   3.208  -0.937 -14.412
  511    HA   TYR  66           HA       TYR  66   2.302   0.473 -12.011
  512    HB2  TYR  66           HB2      TYR  66   3.171  -2.368 -12.558
  513    HB3  TYR  66           HB3      TYR  66   2.997  -1.742 -10.928
  514    HD1  TYR  66           HD1      TYR  66   0.941  -1.635 -14.128
  515    HD2  TYR  66           HD2      TYR  66   0.998  -2.241  -9.857
  516    HE1  TYR  66           HE1      TYR  66  -1.521  -1.830 -14.127
  517    HE2  TYR  66           HE2      TYR  66  -1.464  -2.541  -9.870
  518    HH   TYR  66           HH       TYR  66  -3.400  -2.262 -11.087
  519    H    THR  67           H        THR  67   3.572   1.555 -10.639
  520    HA   THR  67           HA       THR  67   6.354   1.939 -11.468
  521    HB   THR  67           HB       THR  67   6.047   3.947  -9.901
  522    HG1  THR  67           HG1      THR  67   4.016   4.362  -9.187
  523   HG21  THR  67          HG21      THR  67   4.687   5.202 -11.481
  524   HG22  THR  67          HG22      THR  67   5.716   4.079 -12.386
  525   HG23  THR  67          HG23      THR  67   3.994   3.709 -12.144
  526    H    HIS  68           H        HIS  68   4.789   0.105  -9.042
  527    HA   HIS  68           HA       HIS  68   7.233   0.182  -7.370
  528    HB2  HIS  68           HB2      HIS  68   4.896   1.478  -6.726
  529    HB3  HIS  68           HB3      HIS  68   4.597  -0.075  -5.975
  530    HD1  HIS  68           HD1      HIS  68   5.742  -0.331  -3.563
  531    HD2  HIS  68           HD2      HIS  68   7.138   2.834  -5.974
  532    HE1  HIS  68           HE1      HIS  68   7.281   1.048  -2.100
  533    H    VAL  69           H        VAL  69   6.529  -1.732  -9.372
  534    HA   VAL  69           HA       VAL  69   5.513  -4.165  -8.299
  535    HB   VAL  69           HB       VAL  69   6.674  -5.188 -10.190
  536   HG11  VAL  69          HG11      VAL  69   5.348  -2.577 -11.009
  537   HG12  VAL  69          HG12      VAL  69   5.587  -4.000 -12.024
  538   HG13  VAL  69          HG13      VAL  69   4.515  -4.100 -10.611
  539   HG21  VAL  69          HG21      VAL  69   7.932  -2.464 -10.751
  540   HG22  VAL  69          HG22      VAL  69   8.790  -3.941 -10.237
  541   HG23  VAL  69          HG23      VAL  69   7.987  -3.889 -11.803
  542    H    GLU  70           H        GLU  70   6.685  -6.036  -7.523
  543    HA   GLU  70           HA       GLU  70   9.546  -5.661  -6.896
  544    HB2  GLU  70           HB2      GLU  70   8.115  -4.939  -4.904
  545    HB3  GLU  70           HB3      GLU  70   7.521  -6.609  -4.817
  546    HG2  GLU  70           HG2      GLU  70   9.758  -7.440  -4.405
  547    HG3  GLU  70           HG3      GLU  70  10.463  -5.858  -4.761
  548    H    ASN  71           H        ASN  71  10.648  -7.607  -7.232
  549    HA   ASN  71           HA       ASN  71   8.988  -9.935  -8.065
  550    HB2  ASN  71           HB2      ASN  71  10.951  -9.287  -9.487
  551    HB3  ASN  71           HB3      ASN  71  12.020  -9.618  -8.111
  552   HD21  ASN  71          HD22      ASN  71   9.657 -11.070 -10.408
  553   HD22  ASN  71          HD21      ASN  71  10.168 -12.719 -10.098
  554    H    ALA  72           H        ALA  72   8.686 -11.628  -6.684
  555    HA   ALA  72           HA       ALA  72  10.244 -11.676  -4.145
  556    HB1  ALA  72           HB1      ALA  72   8.022 -10.845  -3.743
  557    HB2  ALA  72           HB2      ALA  72   7.291 -12.212  -4.612
  558    HB3  ALA  72           HB3      ALA  72   8.153 -12.478  -3.079
  559    H    GLY  73           H        GLY  73  10.573 -13.141  -6.863
  560    HA2  GLY  73           HA2      GLY  73  11.414 -15.163  -7.480
  561    HA3  GLY  73           HA3      GLY  73  11.659 -15.479  -5.757
  562    H    GLY  74           H        GLY  74  10.533 -17.218  -4.927
  563    HA2  GLY  74           HA2      GLY  74   7.824 -17.722  -5.599
  564    HA3  GLY  74           HA3      GLY  74   8.868 -18.866  -6.449
  565    H    LEU  75           H        LEU  75   7.210 -20.018  -4.841
  566    HA   LEU  75           HA       LEU  75   7.463 -19.902  -2.081
  567    HB2  LEU  75           HB2      LEU  75   6.683 -22.228  -3.879
  568    HB3  LEU  75           HB3      LEU  75   6.492 -22.279  -2.133
  569    HG   LEU  75           HG       LEU  75   5.152 -20.218  -3.918
  570   HD11  LEU  75          HD11      LEU  75   4.076 -22.771  -2.653
  571   HD12  LEU  75          HD12      LEU  75   3.116 -21.563  -3.536
  572   HD13  LEU  75          HD13      LEU  75   4.375 -22.494  -4.375
  573   HD21  LEU  75          HD21      LEU  75   5.393 -19.429  -1.566
  574   HD22  LEU  75          HD22      LEU  75   3.714 -19.793  -1.954
  575   HD23  LEU  75          HD23      LEU  75   4.650 -20.945  -0.991
  576    H    LYS  76           H        LYS  76   9.602 -21.716  -4.255
  577    HA   LYS  76           HA       LYS  76  10.728 -23.331  -2.142
  578    HB2  LYS  76           HB2      LYS  76  11.757 -22.588  -4.919
  579    HB3  LYS  76           HB3      LYS  76  12.586 -23.706  -3.828
  580    HG2  LYS  76           HG2      LYS  76  10.536 -25.130  -3.740
  581    HG3  LYS  76           HG3      LYS  76   9.777 -24.081  -4.952
  582    HD2  LYS  76           HD2      LYS  76  11.613 -24.587  -6.539
  583    HD3  LYS  76           HD3      LYS  76  12.380 -25.643  -5.351
  584    HE2  LYS  76           HE2      LYS  76   9.580 -26.035  -6.504
  585    HE3  LYS  76           HE3      LYS  76  11.031 -26.823  -7.121
  586    HZ1  LYS  76           HZ1      LYS  76   9.933 -27.203  -4.396
  587    HZ2  LYS  76           HZ2      LYS  76   9.854 -28.273  -5.620
  588    HZ3  LYS  76           HZ3      LYS  76  11.297 -27.906  -4.966
  589    H    ASP  77           H        ASP  77  11.133 -19.986  -2.807
  590    HA   ASP  77           HA       ASP  77  13.663 -19.914  -1.204
  591    HB2  ASP  77           HB2      ASP  77  14.009 -19.426  -3.594
  592    HB3  ASP  77           HB3      ASP  77  12.779 -18.163  -3.524
  593    H    ILE  78           H        ILE  78  10.387 -18.833  -1.473
  594    HA   ILE  78           HA       ILE  78  10.545 -16.350  -0.084
  595    HB   ILE  78           HB       ILE  78   8.375 -18.378  -0.653
  596   HG12  ILE  78          HG12      ILE  78   8.719 -15.434  -1.407
  597   HG13  ILE  78          HG13      ILE  78   9.314 -16.762  -2.383
  598   HG21  ILE  78          HG21      ILE  78   6.658 -16.866   0.274
  599   HG22  ILE  78          HG22      ILE  78   7.690 -17.501   1.531
  600   HG23  ILE  78          HG23      ILE  78   7.920 -15.825   0.950
  601   HD11  ILE  78          HD11      ILE  78   7.274 -16.036  -3.332
  602   HD12  ILE  78          HD12      ILE  78   6.946 -17.616  -2.597
  603   HD13  ILE  78          HD13      ILE  78   6.409 -16.116  -1.804
  604    H    ALA  79           H        ALA  79  10.127 -15.807   2.044
  605    HA   ALA  79           HA       ALA  79  10.269 -17.889   4.149
  606    HB1  ALA  79           HB1      ALA  79  11.959 -15.350   4.016
  607    HB2  ALA  79           HB2      ALA  79  11.866 -16.472   5.391
  608    HB3  ALA  79           HB3      ALA  79  12.552 -17.019   3.850
  609    H    MET  80           H        MET  80   7.921 -17.372   3.725
  610    HA   MET  80           HA       MET  80   6.914 -15.226   5.465
  611    HB2  MET  80           HB2      MET  80   7.031 -14.365   3.067
  612    HB3  MET  80           HB3      MET  80   5.979 -15.701   2.593
  613    HG2  MET  80           HG2      MET  80   4.655 -13.747   2.774
  614    HG3  MET  80           HG3      MET  80   4.209 -14.808   4.099
  615    HE1  MET  80           HE1      MET  80   2.934 -12.916   5.368
  616    HE2  MET  80           HE2      MET  80   3.577 -11.276   5.610
  617    HE3  MET  80           HE3      MET  80   3.255 -11.872   3.966
  618    HA   PRO  81           HA       PRO  81   4.341 -18.743   6.636
  619    HB2  PRO  81           HB2      PRO  81   2.110 -16.695   6.701
  620    HB3  PRO  81           HB3      PRO  81   2.470 -17.999   7.878
  621    HG2  PRO  81           HG2      PRO  81   3.249 -15.468   8.407
  622    HG3  PRO  81           HG3      PRO  81   4.397 -16.819   8.692
  623    HD2  PRO  81           HD2      PRO  81   4.258 -14.926   6.347
  624    HD3  PRO  81           HD3      PRO  81   5.696 -15.491   7.252
  625    H    LYS  82           H        LYS  82   2.616 -20.110   5.844
  626    HA   LYS  82           HA       LYS  82   1.728 -19.553   3.051
  627    HB2  LYS  82           HB2      LYS  82   3.130 -22.051   4.090
  628    HB3  LYS  82           HB3      LYS  82   2.389 -21.890   2.498
  629    HG2  LYS  82           HG2      LYS  82   3.973 -20.041   1.947
  630    HG3  LYS  82           HG3      LYS  82   4.783 -20.307   3.510
  631    HD2  LYS  82           HD2      LYS  82   5.279 -22.637   2.889
  632    HD3  LYS  82           HD3      LYS  82   4.412 -22.412   1.359
  633    HE2  LYS  82           HE2      LYS  82   6.058 -20.686   0.675
  634    HE3  LYS  82           HE3      LYS  82   6.949 -20.931   2.183
  635    HZ1  LYS  82           HZ1      LYS  82   7.831 -22.200   0.230
  636    HZ2  LYS  82           HZ2      LYS  82   7.460 -23.152   1.509
  637    HZ3  LYS  82           HZ3      LYS  82   6.443 -23.112   0.227
  638    H    VAL  83           H        VAL  83   0.258 -21.380   2.336
  639    HA   VAL  83           HA       VAL  83  -1.257 -22.798   4.406
  640    HB   VAL  83           HB       VAL  83  -2.521 -21.047   2.245
  641   HG11  VAL  83          HG11      VAL  83  -4.714 -21.765   3.195
  642   HG12  VAL  83          HG12      VAL  83  -3.838 -23.106   2.472
  643   HG13  VAL  83          HG13      VAL  83  -3.869 -22.923   4.244
  644   HG21  VAL  83          HG21      VAL  83  -2.717 -20.834   5.280
  645   HG22  VAL  83          HG22      VAL  83  -1.894 -19.703   4.187
  646   HG23  VAL  83          HG23      VAL  83  -3.646 -19.863   4.114
  647    H    LYS  84           H        LYS  84  -2.083 -24.801   3.410
  648    HA   LYS  84           HA       LYS  84  -1.486 -25.307   0.617
  649    HB2  LYS  84           HB2      LYS  84   0.014 -27.230   1.079
  650    HB3  LYS  84           HB3      LYS  84   0.710 -25.660   1.442
  651    HG2  LYS  84           HG2      LYS  84   0.111 -26.132   3.914
  652    HG3  LYS  84           HG3      LYS  84  -0.199 -27.799   3.399
  653    HD2  LYS  84           HD2      LYS  84   2.390 -26.222   3.037
  654    HD3  LYS  84           HD3      LYS  84   2.116 -27.450   4.275
  655    HE2  LYS  84           HE2      LYS  84   2.068 -29.227   2.690
  656    HE3  LYS  84           HE3      LYS  84   1.844 -28.128   1.324
  657    HZ1  LYS  84           HZ1      LYS  84   4.112 -28.952   1.470
  658    HZ2  LYS  84           HZ2      LYS  84   4.048 -27.319   1.574
  659    HZ3  LYS  84           HZ3      LYS  84   4.322 -28.236   2.923
  660    H    GLY  85           H        GLY  85  -2.259 -27.307  -0.124
  661    HA2  GLY  85           HA2      GLY  85  -4.118 -28.563  -0.514
  662    HA3  GLY  85           HA3      GLY  85  -3.908 -29.176   1.140
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1   1.088  -0.281   1.634
    2    H2   ALA   1           H2       ALA   1  -0.411   0.363   1.460
    3    H3   ALA   1           H3       ALA   1  -0.214  -1.261   1.513
    4    HA   ALA   1           HA       ALA   1  -0.617  -0.562  -0.754
    5    HB1  ALA   1           HB1      ALA   1   1.004   0.893  -1.882
    6    HB2  ALA   1           HB2      ALA   1   0.232   1.731  -0.531
    7    HB3  ALA   1           HB3      ALA   1   1.894   1.120  -0.366
    8    H    GLU   2           H        GLU   2  -0.227  -2.985  -0.270
    9    HA   GLU   2           HA       GLU   2   1.937  -3.866  -1.934
   10    HB2  GLU   2           HB2      GLU   2   3.089  -3.707   0.290
   11    HB3  GLU   2           HB3      GLU   2   1.835  -4.716   1.011
   12    HG2  GLU   2           HG2      GLU   2   2.533  -6.604  -0.475
   13    HG3  GLU   2           HG3      GLU   2   3.807  -5.583  -1.147
   14    H    HIS   3           H        HIS   3   1.404  -5.931  -2.755
   15    HA   HIS   3           HA       HIS   3  -0.671  -7.593  -1.522
   16    HB2  HIS   3           HB2      HIS   3  -0.806  -6.650  -4.427
   17    HB3  HIS   3           HB3      HIS   3  -1.691  -8.030  -3.792
   18    HD1  HIS   3           HD1      HIS   3  -3.449  -7.267  -1.595
   19    HD2  HIS   3           HD2      HIS   3  -2.190  -4.481  -4.484
   20    HE1  HIS   3           HE1      HIS   3  -5.122  -5.353  -1.513
   21    H    TRP   4           H        TRP   4  -0.554  -9.805  -2.579
   22    HA   TRP   4           HA       TRP   4   2.108 -10.350  -3.799
   23    HB2  TRP   4           HB2      TRP   4   0.689 -11.828  -1.560
   24    HB3  TRP   4           HB3      TRP   4   1.988 -12.527  -2.516
   25    HD1  TRP   4           HD1      TRP   4   1.470  -9.445  -0.221
   26    HE1  TRP   4           HE1      TRP   4   3.638  -8.913   0.999
   27    HE3  TRP   4           HE3      TRP   4   4.469 -13.032  -2.350
   28    HZ2  TRP   4           HZ2      TRP   4   6.279 -10.112   1.264
   29    HZ3  TRP   4           HZ3      TRP   4   6.793 -13.312  -1.573
   30    HH2  TRP   4           HH2      TRP   4   7.714 -11.874   0.233
   31    H    ILE   5           H        ILE   5   1.778 -11.027  -5.783
   32    HA   ILE   5           HA       ILE   5  -0.767 -12.421  -6.420
   33    HB   ILE   5           HB       ILE   5   1.028 -10.929  -8.343
   34   HG12  ILE   5          HG12      ILE   5   0.251  -9.274  -6.706
   35   HG13  ILE   5          HG13      ILE   5  -0.444  -9.041  -8.302
   36   HG21  ILE   5          HG21      ILE   5  -1.033 -10.946  -9.749
   37   HG22  ILE   5          HG22      ILE   5  -0.457 -12.577  -9.369
   38   HG23  ILE   5          HG23      ILE   5  -1.856 -11.919  -8.507
   39   HD11  ILE   5          HD11      ILE   5  -2.057  -8.564  -6.575
   40   HD12  ILE   5          HD12      ILE   5  -2.590 -10.005  -7.463
   41   HD13  ILE   5          HD13      ILE   5  -1.812 -10.160  -5.862
   42    H    ASP   6           H        ASP   6  -0.459 -14.479  -6.524
   43    HA   ASP   6           HA       ASP   6   2.075 -15.805  -7.174
   44    HB2  ASP   6           HB2      ASP   6   0.526 -16.705  -5.470
   45    HB3  ASP   6           HB3      ASP   6  -0.756 -16.788  -6.651
   46    H    VAL   7           H        VAL   7   2.539 -15.275  -9.336
   47    HA   VAL   7           HA       VAL   7   0.422 -15.131 -11.329
   48    HB   VAL   7           HB       VAL   7   2.058 -14.389 -12.856
   49   HG11  VAL   7          HG11      VAL   7   2.864 -12.396 -11.777
   50   HG12  VAL   7          HG12      VAL   7   1.301 -12.797 -11.060
   51   HG13  VAL   7          HG13      VAL   7   2.794 -13.146 -10.175
   52   HG21  VAL   7          HG21      VAL   7   4.281 -14.980 -10.862
   53   HG22  VAL   7          HG22      VAL   7   3.926 -15.977 -12.291
   54   HG23  VAL   7          HG23      VAL   7   4.429 -14.308 -12.492
   55    H    ARG   8           H        ARG   8   1.766 -17.673  -9.938
   56    HA   ARG   8           HA       ARG   8   2.661 -19.476 -11.964
   57    HB2  ARG   8           HB2      ARG   8   2.995 -19.366  -9.413
   58    HB3  ARG   8           HB3      ARG   8   1.309 -19.935  -9.294
   59    HG2  ARG   8           HG2      ARG   8   1.940 -22.099 -10.149
   60    HG3  ARG   8           HG3      ARG   8   3.589 -21.529 -10.488
   61    HD2  ARG   8           HD2      ARG   8   3.154 -22.921  -8.329
   62    HD3  ARG   8           HD3      ARG   8   4.193 -21.509  -8.227
   63    HE   ARG   8           HE       ARG   8   2.026 -20.283  -7.497
   64   HH11  ARG   8          HH22      ARG   8   3.186 -23.459  -6.285
   65   HH12  ARG   8          HH21      ARG   8   2.224 -23.318  -4.839
   66   HH21  ARG   8          HH11      ARG   8   0.753 -20.269  -5.723
   67   HH22  ARG   8          HH12      ARG   8   0.995 -21.462  -4.431
   68    H    VAL   9           H        VAL   9   1.490 -21.565 -12.442
   69    HA   VAL   9           HA       VAL   9  -1.182 -21.182 -13.279
   70    HB   VAL   9           HB       VAL   9  -1.170 -23.682 -13.633
   71   HG11  VAL   9          HG11      VAL   9   1.292 -22.240 -14.712
   72   HG12  VAL   9          HG12      VAL   9   0.497 -23.663 -15.410
   73   HG13  VAL   9          HG13      VAL   9  -0.356 -22.114 -15.363
   74   HG21  VAL   9          HG21      VAL   9   1.696 -23.588 -12.580
   75   HG22  VAL   9          HG22      VAL   9   0.317 -24.343 -11.749
   76   HG23  VAL   9          HG23      VAL   9   0.862 -24.973 -13.307
   77    HA   PRO  10           HA       PRO  10  -3.373 -21.493  -9.616
   78    HB2  PRO  10           HB2      PRO  10  -5.869 -22.283 -10.356
   79    HB3  PRO  10           HB3      PRO  10  -5.126 -20.746 -10.935
   80    HG2  PRO  10           HG2      PRO  10  -5.193 -23.407 -12.384
   81    HG3  PRO  10           HG3      PRO  10  -5.708 -21.796 -12.993
   82    HD2  PRO  10           HD2      PRO  10  -3.229 -22.745 -13.507
   83    HD3  PRO  10           HD3      PRO  10  -3.479 -21.021 -13.104
   84    H    GLU  11           H        GLU  11  -3.013 -24.541 -11.323
   85    HA   GLU  11           HA       GLU  11  -4.175 -26.293  -9.413
   86    HB2  GLU  11           HB2      GLU  11  -3.485 -26.897 -11.718
   87    HB3  GLU  11           HB3      GLU  11  -1.785 -26.749 -11.252
   88    HG2  GLU  11           HG2      GLU  11  -2.056 -28.593  -9.625
   89    HG3  GLU  11           HG3      GLU  11  -3.782 -28.680  -9.984
   90    H    GLN  12           H        GLN  12  -0.945 -24.727  -9.519
   91    HA   GLN  12           HA       GLN  12   0.072 -26.355  -7.327
   92    HB2  GLN  12           HB2      GLN  12   1.186 -23.947  -8.779
   93    HB3  GLN  12           HB3      GLN  12   2.026 -24.849  -7.497
   94    HG2  GLN  12           HG2      GLN  12   1.882 -26.927  -8.853
   95    HG3  GLN  12           HG3      GLN  12   1.115 -26.018 -10.153
   96   HE21  GLN  12          HE22      GLN  12   2.716 -26.086 -11.766
   97   HE22  GLN  12          HE21      GLN  12   4.344 -25.507 -11.536
   98    H    TYR  13           H        TYR  13  -1.473 -23.166  -7.623
   99    HA   TYR  13           HA       TYR  13  -1.000 -22.143  -5.021
  100    HB2  TYR  13           HB2      TYR  13  -2.083 -20.873  -6.796
  101    HB3  TYR  13           HB3      TYR  13  -3.432 -21.985  -6.832
  102    HD1  TYR  13           HD2      TYR  13  -1.759 -19.373  -4.759
  103    HD2  TYR  13           HD1      TYR  13  -5.312 -21.742  -5.378
  104    HE1  TYR  13           HE2      TYR  13  -3.023 -17.862  -3.257
  105    HE2  TYR  13           HE1      TYR  13  -6.574 -20.259  -3.859
  106    HH   TYR  13           HH       TYR  13  -6.514 -18.341  -2.537
  107    H    GLN  14           H        GLN  14  -3.324 -24.596  -6.150
  108    HA   GLN  14           HA       GLN  14  -4.643 -24.857  -3.599
  109    HB2  GLN  14           HB2      GLN  14  -4.566 -26.608  -6.089
  110    HB3  GLN  14           HB3      GLN  14  -5.626 -26.908  -4.712
  111    HG2  GLN  14           HG2      GLN  14  -6.853 -24.888  -5.054
  112    HG3  GLN  14           HG3      GLN  14  -5.659 -24.230  -6.164
  113   HE21  GLN  14          HE22      GLN  14  -5.750 -24.710  -8.342
  114   HE22  GLN  14          HE21      GLN  14  -6.997 -25.726  -9.054
  115    H    GLN  15           H        GLN  15  -1.473 -25.700  -4.379
  116    HA   GLN  15           HA       GLN  15  -1.485 -28.038  -2.535
  117    HB2  GLN  15           HB2      GLN  15   0.818 -27.222  -4.315
  118    HB3  GLN  15           HB3      GLN  15   0.550 -28.750  -3.481
  119    HG2  GLN  15           HG2      GLN  15  -0.793 -27.667  -5.953
  120    HG3  GLN  15           HG3      GLN  15   0.182 -29.114  -5.822
  121   HE21  GLN  15          HE22      GLN  15  -2.802 -28.252  -6.540
  122   HE22  GLN  15          HE21      GLN  15  -3.738 -29.543  -5.799
  123    H    GLU  16           H        GLU  16   0.143 -24.910  -3.242
  124    HA   GLU  16           HA       GLU  16   0.445 -24.387  -0.396
  125    HB2  GLU  16           HB2      GLU  16   2.427 -25.815  -0.855
  126    HB3  GLU  16           HB3      GLU  16   2.938 -24.714  -2.141
  127    HG2  GLU  16           HG2      GLU  16   3.294 -22.918  -0.532
  128    HG3  GLU  16           HG3      GLU  16   2.597 -23.865   0.766
  129    H    HIS  17           H        HIS  17   0.434 -22.134  -0.082
  130    HA   HIS  17           HA       HIS  17   1.516 -20.368  -2.121
  131    HB2  HIS  17           HB2      HIS  17  -0.530 -18.986  -2.297
  132    HB3  HIS  17           HB3      HIS  17  -0.692 -20.576  -3.019
  133    HD1  HIS  17           HD1      HIS  17  -2.527 -22.205  -1.967
  134    HD2  HIS  17           HD2      HIS  17  -2.198 -18.366  -0.292
  135    HE1  HIS  17           HE1      HIS  17  -4.622 -21.851  -0.566
  136    H    VAL  18           H        VAL  18   1.675 -18.141  -1.320
  137    HA   VAL  18           HA       VAL  18   2.398 -17.958   1.465
  138    HB   VAL  18           HB       VAL  18   1.967 -15.804  -0.656
  139   HG11  VAL  18          HG11      VAL  18   3.362 -15.653   2.051
  140   HG12  VAL  18          HG12      VAL  18   3.436 -14.395   0.795
  141   HG13  VAL  18          HG13      VAL  18   1.896 -14.776   1.564
  142   HG21  VAL  18          HG21      VAL  18   3.762 -17.366  -1.302
  143   HG22  VAL  18          HG22      VAL  18   4.406 -15.792  -0.873
  144   HG23  VAL  18          HG23      VAL  18   4.537 -17.146   0.281
  145    H    GLN  19           H        GLN  19   1.196 -17.194   3.160
  146    HA   GLN  19           HA       GLN  19  -1.637 -17.410   3.017
  147    HB2  GLN  19           HB2      GLN  19  -0.123 -17.864   4.971
  148    HB3  GLN  19           HB3      GLN  19   0.087 -16.127   5.190
  149    HG2  GLN  19           HG2      GLN  19  -2.298 -15.872   5.682
  150    HG3  GLN  19           HG3      GLN  19  -2.608 -17.561   5.281
  151   HE21  GLN  19          HE21      GLN  19  -1.013 -19.196   6.631
  152   HE22  GLN  19          HE22      GLN  19  -0.979 -18.817   8.332
  153    H    GLY  20           H        GLY  20  -3.101 -15.958   2.317
  154    HA2  GLY  20           HA2      GLY  20  -4.196 -13.929   2.208
  155    HA3  GLY  20           HA3      GLY  20  -2.757 -13.086   2.786
  156    H    ALA  21           H        ALA  21  -1.702 -15.051   0.237
  157    HA   ALA  21           HA       ALA  21  -1.504 -12.846  -1.642
  158    HB1  ALA  21           HB1      ALA  21  -0.493 -14.570  -3.105
  159    HB2  ALA  21           HB2      ALA  21   0.212 -14.602  -1.479
  160    HB3  ALA  21           HB3      ALA  21  -0.986 -15.835  -1.959
  161    H    ILE  22           H        ILE  22  -2.184 -13.253  -3.977
  162    HA   ILE  22           HA       ILE  22  -4.839 -14.595  -4.225
  163    HB   ILE  22           HB       ILE  22  -4.214 -12.653  -6.350
  164   HG12  ILE  22          HG12      ILE  22  -4.568 -11.436  -3.594
  165   HG13  ILE  22          HG13      ILE  22  -3.214 -11.234  -4.724
  166   HG21  ILE  22          HG21      ILE  22  -6.555 -12.151  -6.186
  167   HG22  ILE  22          HG22      ILE  22  -6.331 -13.884  -6.042
  168   HG23  ILE  22          HG23      ILE  22  -6.661 -12.918  -4.580
  169   HD11  ILE  22          HD11      ILE  22  -6.037 -10.163  -5.059
  170   HD12  ILE  22          HD12      ILE  22  -4.540  -9.251  -4.821
  171   HD13  ILE  22          HD13      ILE  22  -4.801 -10.132  -6.341
  172    H    ASN  23           H        ASN  23  -4.892 -16.099  -5.948
  173    HA   ASN  23           HA       ASN  23  -2.432 -16.239  -7.647
  174    HB2  ASN  23           HB2      ASN  23  -2.827 -18.392  -6.719
  175    HB3  ASN  23           HB3      ASN  23  -4.536 -18.382  -7.203
  176   HD21  ASN  23          HD22      ASN  23  -1.253 -19.103  -8.186
  177   HD22  ASN  23          HD21      ASN  23  -1.560 -19.295  -9.908
  178    H    ILE  24           H        ILE  24  -2.548 -15.575  -9.575
  179    HA   ILE  24           HA       ILE  24  -5.047 -15.676 -11.064
  180    HB   ILE  24           HB       ILE  24  -3.408 -13.117 -11.114
  181   HG12  ILE  24          HG12      ILE  24  -6.046 -13.376  -9.662
  182   HG13  ILE  24          HG13      ILE  24  -4.458 -13.150  -8.916
  183   HG21  ILE  24          HG21      ILE  24  -4.593 -13.817 -13.155
  184   HG22  ILE  24          HG22      ILE  24  -6.132 -13.771 -12.266
  185   HG23  ILE  24          HG23      ILE  24  -5.176 -12.287 -12.530
  186   HD11  ILE  24          HD11      ILE  24  -4.196 -10.974 -10.093
  187   HD12  ILE  24          HD12      ILE  24  -5.867 -11.127 -10.682
  188   HD13  ILE  24          HD13      ILE  24  -5.547 -11.028  -8.947
  189    HA   PRO  25           HA       PRO  25  -1.404 -17.340 -13.182
  190    HB2  PRO  25           HB2      PRO  25  -2.503 -18.222 -15.529
  191    HB3  PRO  25           HB3      PRO  25  -2.747 -19.051 -13.953
  192    HG2  PRO  25           HG2      PRO  25  -4.617 -17.105 -15.316
  193    HG3  PRO  25           HG3      PRO  25  -4.997 -18.700 -14.587
  194    HD2  PRO  25           HD2      PRO  25  -5.360 -16.339 -13.238
  195    HD3  PRO  25           HD3      PRO  25  -4.854 -17.838 -12.397
  196    H    LEU  26           H        LEU  26   0.082 -16.425 -14.623
  197    HA   LEU  26           HA       LEU  26   0.123 -13.755 -14.795
  198    HB2  LEU  26           HB2      LEU  26   2.046 -15.229 -15.065
  199    HB3  LEU  26           HB3      LEU  26   1.517 -15.678 -16.684
  200    HG   LEU  26           HG       LEU  26   1.965 -13.446 -17.533
  201   HD11  LEU  26          HD11      LEU  26   2.594 -12.706 -14.642
  202   HD12  LEU  26          HD12      LEU  26   3.057 -11.718 -16.053
  203   HD13  LEU  26          HD13      LEU  26   1.362 -11.980 -15.690
  204   HD21  LEU  26          HD21      LEU  26   4.383 -13.419 -17.271
  205   HD22  LEU  26          HD22      LEU  26   4.284 -14.307 -15.746
  206   HD23  LEU  26          HD23      LEU  26   3.843 -15.098 -17.278
  207    H    LYS  27           H        LYS  27  -1.174 -15.744 -17.487
  208    HA   LYS  27           HA       LYS  27  -1.449 -13.689 -19.383
  209    HB2  LYS  27           HB2      LYS  27  -1.670 -16.107 -19.852
  210    HB3  LYS  27           HB3      LYS  27  -3.134 -16.184 -18.872
  211    HG2  LYS  27           HG2      LYS  27  -3.675 -16.198 -21.224
  212    HG3  LYS  27           HG3      LYS  27  -4.319 -14.746 -20.457
  213    HD2  LYS  27           HD2      LYS  27  -2.455 -13.400 -21.424
  214    HD3  LYS  27           HD3      LYS  27  -1.733 -14.873 -22.078
  215    HE2  LYS  27           HE2      LYS  27  -2.859 -13.754 -23.870
  216    HE3  LYS  27           HE3      LYS  27  -3.754 -15.228 -23.495
  217    HZ1  LYS  27           HZ1      LYS  27  -5.367 -13.862 -22.297
  218    HZ2  LYS  27           HZ2      LYS  27  -4.511 -12.499 -22.605
  219    HZ3  LYS  27           HZ3      LYS  27  -5.210 -13.322 -23.823
  220    H    GLU  28           H        GLU  28  -3.553 -14.579 -16.615
  221    HA   GLU  28           HA       GLU  28  -5.569 -12.588 -17.401
  222    HB2  GLU  28           HB2      GLU  28  -5.427 -14.821 -15.451
  223    HB3  GLU  28           HB3      GLU  28  -6.153 -13.349 -14.799
  224    HG2  GLU  28           HG2      GLU  28  -7.734 -13.190 -16.599
  225    HG3  GLU  28           HG3      GLU  28  -7.040 -14.612 -17.406
  226    H    VAL  29           H        VAL  29  -2.797 -12.835 -15.168
  227    HA   VAL  29           HA       VAL  29  -3.358 -10.648 -13.497
  228    HB   VAL  29           HB       VAL  29  -0.684 -11.548 -14.635
  229   HG11  VAL  29          HG11      VAL  29  -0.361  -9.263 -13.833
  230   HG12  VAL  29          HG12      VAL  29  -1.168  -9.659 -12.298
  231   HG13  VAL  29          HG13      VAL  29   0.390 -10.405 -12.718
  232   HG21  VAL  29          HG21      VAL  29  -0.399 -12.764 -12.602
  233   HG22  VAL  29          HG22      VAL  29  -1.796 -11.976 -11.849
  234   HG23  VAL  29          HG23      VAL  29  -2.027 -13.148 -13.160
  235    H    LYS  30           H        LYS  30  -1.974 -10.608 -16.802
  236    HA   LYS  30           HA       LYS  30  -1.466  -7.840 -16.826
  237    HB2  LYS  30           HB2      LYS  30  -0.664  -9.848 -18.376
  238    HB3  LYS  30           HB3      LYS  30  -2.055  -9.395 -19.366
  239    HG2  LYS  30           HG2      LYS  30  -1.144  -7.034 -19.474
  240    HG3  LYS  30           HG3      LYS  30   0.214  -7.546 -18.469
  241    HD2  LYS  30           HD2      LYS  30   0.889  -9.150 -20.268
  242    HD3  LYS  30           HD3      LYS  30  -0.483  -8.585 -21.254
  243    HE2  LYS  30           HE2      LYS  30   0.436  -6.279 -21.232
  244    HE3  LYS  30           HE3      LYS  30   1.777  -6.804 -20.215
  245    HZ1  LYS  30           HZ1      LYS  30   1.287  -7.605 -23.016
  246    HZ2  LYS  30           HZ2      LYS  30   2.534  -6.707 -22.434
  247    HZ3  LYS  30           HZ3      LYS  30   2.435  -8.296 -22.076
  248    H    GLU  31           H        GLU  31  -4.541  -9.121 -16.634
  249    HA   GLU  31           HA       GLU  31  -5.617  -6.532 -17.610
  250    HB2  GLU  31           HB2      GLU  31  -6.311  -8.277 -19.175
  251    HB3  GLU  31           HB3      GLU  31  -6.900  -9.288 -17.845
  252    HG2  GLU  31           HG2      GLU  31  -8.591  -7.627 -17.271
  253    HG3  GLU  31           HG3      GLU  31  -7.951  -6.502 -18.474
  254    H    ARG  32           H        ARG  32  -6.077  -9.361 -15.471
  255    HA   ARG  32           HA       ARG  32  -8.088  -8.190 -13.880
  256    HB2  ARG  32           HB2      ARG  32  -7.557 -10.638 -14.233
  257    HB3  ARG  32           HB3      ARG  32  -6.286 -10.448 -13.006
  258    HG2  ARG  32           HG2      ARG  32  -7.934  -9.726 -11.354
  259    HG3  ARG  32           HG3      ARG  32  -9.210  -9.642 -12.574
  260    HD2  ARG  32           HD2      ARG  32  -7.738 -12.174 -11.795
  261    HD3  ARG  32           HD3      ARG  32  -9.261 -11.660 -11.057
  262    HE   ARG  32           HE       ARG  32  -8.891 -13.038 -13.556
  263   HH11  ARG  32          HH11      ARG  32 -11.113 -10.696 -12.025
  264   HH12  ARG  32          HH12      ARG  32 -12.456 -11.193 -12.986
  265   HH21  ARG  32          HH21      ARG  32 -10.540 -13.670 -14.708
  266   HH22  ARG  32          HH22      ARG  32 -12.138 -12.948 -14.616
  267    H    ILE  33           H        ILE  33  -4.555  -7.858 -13.610
  268    HA   ILE  33           HA       ILE  33  -4.635  -7.059 -10.869
  269    HB   ILE  33           HB       ILE  33  -2.534  -7.618 -12.183
  270   HG12  ILE  33          HG12      ILE  33  -1.133  -5.820 -10.979
  271   HG13  ILE  33          HG13      ILE  33  -2.645  -5.143 -10.390
  272   HG21  ILE  33          HG21      ILE  33  -2.999  -6.043 -14.111
  273   HG22  ILE  33          HG22      ILE  33  -2.613  -4.704 -13.012
  274   HG23  ILE  33          HG23      ILE  33  -1.385  -5.906 -13.405
  275   HD11  ILE  33          HD11      ILE  33  -1.600  -6.681  -8.762
  276   HD12  ILE  33          HD12      ILE  33  -3.168  -7.321  -9.285
  277   HD13  ILE  33          HD13      ILE  33  -1.669  -8.000  -9.950
  278    H    ALA  34           H        ALA  34  -5.479  -5.329 -13.883
  279    HA   ALA  34           HA       ALA  34  -5.448  -2.717 -12.752
  280    HB1  ALA  34           HB1      ALA  34  -5.596  -3.204 -15.206
  281    HB2  ALA  34           HB2      ALA  34  -7.260  -3.791 -14.959
  282    HB3  ALA  34           HB3      ALA  34  -6.864  -2.092 -14.648
  283    H    THR  35           H        THR  35  -7.938  -5.268 -12.719
  284    HA   THR  35           HA       THR  35  -9.895  -3.562 -11.401
  285    HB   THR  35           HB       THR  35 -10.929  -6.015 -11.093
  286    HG1  THR  35           HG1      THR  35  -9.010  -7.064 -11.897
  287   HG21  THR  35          HG21      THR  35 -11.916  -5.807 -13.352
  288   HG22  THR  35          HG22      THR  35 -11.878  -4.242 -12.525
  289   HG23  THR  35          HG23      THR  35 -10.681  -4.603 -13.789
  290    H    ALA  36           H        ALA  36  -7.492  -5.980 -10.383
  291    HA   ALA  36           HA       ALA  36  -8.523  -6.133  -7.679
  292    HB1  ALA  36           HB1      ALA  36  -7.401  -8.034  -8.770
  293    HB2  ALA  36           HB2      ALA  36  -5.894  -7.100  -8.887
  294    HB3  ALA  36           HB3      ALA  36  -6.538  -7.554  -7.295
  295    H    VAL  37           H        VAL  37  -5.931  -4.319  -9.262
  296    HA   VAL  37           HA       VAL  37  -5.308  -2.813  -6.800
  297    HB   VAL  37           HB       VAL  37  -3.123  -4.030  -8.530
  298   HG11  VAL  37          HG11      VAL  37  -1.750  -3.504  -6.545
  299   HG12  VAL  37          HG12      VAL  37  -2.509  -2.063  -7.211
  300   HG13  VAL  37          HG13      VAL  37  -3.174  -2.804  -5.740
  301   HG21  VAL  37          HG21      VAL  37  -4.170  -5.978  -7.621
  302   HG22  VAL  37          HG22      VAL  37  -2.689  -5.667  -6.730
  303   HG23  VAL  37          HG23      VAL  37  -4.259  -5.249  -5.999
  304    HA   PRO  38           HA       PRO  38  -5.733  -0.336 -10.744
  305    HB2  PRO  38           HB2      PRO  38  -7.295   1.712  -9.714
  306    HB3  PRO  38           HB3      PRO  38  -7.934   0.200 -10.422
  307    HG2  PRO  38           HG2      PRO  38  -7.472   0.846  -7.499
  308    HG3  PRO  38           HG3      PRO  38  -8.912   0.090  -8.256
  309    HD2  PRO  38           HD2      PRO  38  -6.996  -1.406  -7.033
  310    HD3  PRO  38           HD3      PRO  38  -7.781  -1.981  -8.535
  311    H    ASP  39           H        ASP  39  -4.670   0.408  -7.457
  312    HA   ASP  39           HA       ASP  39  -3.309   2.893  -8.130
  313    HB2  ASP  39           HB2      ASP  39  -3.980   2.500  -5.841
  314    HB3  ASP  39           HB3      ASP  39  -3.040   1.005  -5.770
  315    H    LYS  40           H        LYS  40  -1.889   2.658  -9.809
  316    HA   LYS  40           HA       LYS  40  -0.238   0.403 -10.272
  317    HB2  LYS  40           HB2      LYS  40  -0.037   3.303 -11.195
  318    HB3  LYS  40           HB3      LYS  40   1.061   2.044 -11.735
  319    HG2  LYS  40           HG2      LYS  40  -1.049   0.688 -12.393
  320    HG3  LYS  40           HG3      LYS  40  -1.934   2.210 -12.205
  321    HD2  LYS  40           HD2      LYS  40  -0.398   3.257 -13.893
  322    HD3  LYS  40           HD3      LYS  40   0.427   1.689 -14.069
  323    HE2  LYS  40           HE2      LYS  40  -1.780   0.660 -14.710
  324    HE3  LYS  40           HE3      LYS  40  -2.506   2.272 -14.670
  325    HZ1  LYS  40           HZ1      LYS  40  -1.874   1.686 -16.906
  326    HZ2  LYS  40           HZ2      LYS  40  -0.921   2.918 -16.425
  327    HZ3  LYS  40           HZ3      LYS  40  -0.327   1.383 -16.479
  328    H    ASN  41           H        ASN  41   0.142   2.754  -7.779
  329    HA   ASN  41           HA       ASN  41   3.073   2.281  -7.600
  330    HB2  ASN  41           HB2      ASN  41   1.798   4.621  -7.437
  331    HB3  ASN  41           HB3      ASN  41   1.556   4.122  -5.766
  332   HD21  ASN  41          HD22      ASN  41   3.859   3.119  -4.839
  333   HD22  ASN  41          HD21      ASN  41   5.195   4.235  -5.078
  334    H    ASP  42           H        ASP  42   0.385   0.571  -6.689
  335    HA   ASP  42           HA       ASP  42   0.966  -0.001  -3.900
  336    HB2  ASP  42           HB2      ASP  42  -1.140  -0.685  -5.199
  337    HB3  ASP  42           HB3      ASP  42  -0.105  -1.938  -5.943
  338    H    THR  43           H        THR  43   2.341  -1.680  -3.087
  339    HA   THR  43           HA       THR  43   4.456  -2.539  -4.852
  340    HB   THR  43           HB       THR  43   4.025  -3.388  -1.985
  341    HG1  THR  43           HG1      THR  43   4.226  -1.275  -1.863
  342   HG21  THR  43          HG21      THR  43   6.392  -3.361  -3.903
  343   HG22  THR  43          HG22      THR  43   6.478  -3.787  -2.165
  344   HG23  THR  43          HG23      THR  43   5.526  -4.775  -3.291
  345    H    VAL  44           H        VAL  44   3.198  -3.595  -6.418
  346    HA   VAL  44           HA       VAL  44   1.785  -6.067  -5.782
  347    HB   VAL  44           HB       VAL  44   2.800  -5.108  -8.502
  348   HG11  VAL  44          HG11      VAL  44   0.611  -7.059  -7.657
  349   HG12  VAL  44          HG12      VAL  44   0.974  -6.593  -9.329
  350   HG13  VAL  44          HG13      VAL  44   2.163  -7.512  -8.396
  351   HG21  VAL  44          HG21      VAL  44   1.302  -3.380  -7.619
  352   HG22  VAL  44          HG22      VAL  44   0.442  -4.316  -8.841
  353   HG23  VAL  44          HG23      VAL  44   0.130  -4.617  -7.117
  354    H    LYS  45           H        LYS  45   3.168  -7.366  -4.592
  355    HA   LYS  45           HA       LYS  45   5.826  -8.082  -5.546
  356    HB2  LYS  45           HB2      LYS  45   4.003  -9.561  -3.616
  357    HB3  LYS  45           HB3      LYS  45   5.690  -9.900  -3.888
  358    HG2  LYS  45           HG2      LYS  45   5.201  -7.083  -3.093
  359    HG3  LYS  45           HG3      LYS  45   4.562  -8.246  -1.936
  360    HD2  LYS  45           HD2      LYS  45   6.830  -9.375  -1.910
  361    HD3  LYS  45           HD3      LYS  45   7.437  -8.038  -2.914
  362    HE2  LYS  45           HE2      LYS  45   6.664  -6.427  -1.149
  363    HE3  LYS  45           HE3      LYS  45   6.127  -7.795  -0.161
  364    HZ1  LYS  45           HZ1      LYS  45   8.308  -7.023   0.510
  365    HZ2  LYS  45           HZ2      LYS  45   8.457  -8.537  -0.093
  366    HZ3  LYS  45           HZ3      LYS  45   8.913  -7.238  -0.998
  367    H    VAL  46           H        VAL  46   6.259  -9.832  -6.932
  368    HA   VAL  46           HA       VAL  46   3.937 -11.519  -7.763
  369    HB   VAL  46           HB       VAL  46   4.938 -11.630 -10.026
  370   HG11  VAL  46          HG11      VAL  46   3.989  -9.526 -10.805
  371   HG12  VAL  46          HG12      VAL  46   2.993 -10.183  -9.499
  372   HG13  VAL  46          HG13      VAL  46   4.095  -8.827  -9.177
  373   HG21  VAL  46          HG21      VAL  46   6.442  -9.880 -10.831
  374   HG22  VAL  46          HG22      VAL  46   6.589  -9.196  -9.205
  375   HG23  VAL  46          HG23      VAL  46   7.238 -10.813  -9.563
  376    H    TYR  47           H        TYR  47   4.253 -13.691  -7.674
  377    HA   TYR  47           HA       TYR  47   6.991 -14.746  -7.627
  378    HB2  TYR  47           HB2      TYR  47   6.878 -15.845  -5.621
  379    HB3  TYR  47           HB3      TYR  47   6.331 -14.232  -5.224
  380    HD1  TYR  47           HD2      TYR  47   3.848 -13.817  -4.825
  381    HD2  TYR  47           HD1      TYR  47   5.505 -17.781  -5.253
  382    HE1  TYR  47           HE2      TYR  47   1.877 -14.765  -3.670
  383    HE2  TYR  47           HE1      TYR  47   3.517 -18.735  -4.126
  384    HH   TYR  47           HH       TYR  47   0.809 -16.715  -2.959
  385    H    CYS  48           H        CYS  48   6.908 -17.231  -7.706
  386    HA   CYS  48           HA       CYS  48   4.534 -18.565  -8.451
  387    HB2  CYS  48           HB2      CYS  48   5.103 -19.020 -10.828
  388    HB3  CYS  48           HB3      CYS  48   4.969 -17.281 -10.580
  389    HG   CYS  48           HG       CYS  48   7.670 -19.217 -10.716
  390    H    ASN  49           H        ASN  49   5.849 -20.651  -9.938
  391    HA   ASN  49           HA       ASN  49   7.288 -22.036  -7.819
  392    HB2  ASN  49           HB2      ASN  49   5.764 -23.152  -9.462
  393    HB3  ASN  49           HB3      ASN  49   6.883 -22.759 -10.764
  394   HD21  ASN  49          HD22      ASN  49   5.932 -25.298  -8.966
  395   HD22  ASN  49          HD21      ASN  49   7.448 -26.172  -8.820
  396    H    ALA  50           H        ALA  50   9.391 -21.623  -7.407
  397    HA   ALA  50           HA       ALA  50  11.511 -20.928  -7.541
  398    HB1  ALA  50           HB1      ALA  50  12.864 -22.146  -9.140
  399    HB2  ALA  50           HB2      ALA  50  11.539 -23.184  -8.588
  400    HB3  ALA  50           HB3      ALA  50  11.459 -22.410 -10.191
  401    H    GLY  51           H        GLY  51   9.598 -18.946  -8.784
  402    HA2  GLY  51           HA2      GLY  51   9.797 -16.867  -9.617
  403    HA3  GLY  51           HA3      GLY  51  11.552 -17.044  -9.606
  404    H    ARG  52           H        ARG  52  10.105 -19.483 -11.547
  405    HA   ARG  52           HA       ARG  52  11.481 -18.592 -13.825
  406    HB2  ARG  52           HB2      ARG  52  10.574 -20.504 -14.941
  407    HB3  ARG  52           HB3      ARG  52  10.883 -20.934 -13.263
  408    HG2  ARG  52           HG2      ARG  52   8.349 -20.473 -12.850
  409    HG3  ARG  52           HG3      ARG  52   8.197 -20.370 -14.602
  410    HD2  ARG  52           HD2      ARG  52   7.599 -22.596 -13.889
  411    HD3  ARG  52           HD3      ARG  52   9.088 -22.657 -14.831
  412    HE   ARG  52           HE       ARG  52   9.107 -22.599 -11.832
  413   HH11  ARG  52          HH21      ARG  52  10.243 -24.126 -14.839
  414   HH12  ARG  52          HH22      ARG  52  11.155 -25.349 -14.039
  415   HH21  ARG  52          HH11      ARG  52  10.107 -24.404 -10.785
  416   HH22  ARG  52          HH12      ARG  52  11.155 -25.447 -11.686
  417    H    GLN  53           H        GLN  53   8.301 -17.669 -12.839
  418    HA   GLN  53           HA       GLN  53   7.715 -16.451 -15.504
  419    HB2  GLN  53           HB2      GLN  53   6.430 -18.514 -14.964
  420    HB3  GLN  53           HB3      GLN  53   5.776 -17.729 -13.519
  421    HG2  GLN  53           HG2      GLN  53   4.454 -16.262 -14.759
  422    HG3  GLN  53           HG3      GLN  53   5.389 -16.520 -16.247
  423   HE21  GLN  53          HE22      GLN  53   2.605 -17.682 -14.363
  424   HE22  GLN  53          HE21      GLN  53   2.237 -18.992 -15.448
  425    H    SER  54           H        SER  54   7.905 -15.951 -11.971
  426    HA   SER  54           HA       SER  54   6.429 -13.489 -11.990
  427    HB2  SER  54           HB2      SER  54   7.429 -13.184  -9.779
  428    HB3  SER  54           HB3      SER  54   6.758 -14.813  -9.987
  429    HG   SER  54           HG       SER  54   8.783 -15.034  -9.071
  430    H    GLY  55           H        GLY  55   9.826 -14.357 -12.685
  431    HA2  GLY  55           HA2      GLY  55  10.931 -11.742 -12.693
  432    HA3  GLY  55           HA3      GLY  55  11.480 -13.109 -13.687
  433    H    GLN  56           H        GLN  56   9.348 -13.636 -15.324
  434    HA   GLN  56           HA       GLN  56   9.388 -11.527 -17.234
  435    HB2  GLN  56           HB2      GLN  56   9.060 -13.939 -17.771
  436    HB3  GLN  56           HB3      GLN  56   7.479 -13.902 -16.983
  437    HG2  GLN  56           HG2      GLN  56   7.275 -13.791 -19.417
  438    HG3  GLN  56           HG3      GLN  56   6.627 -12.356 -18.650
  439   HE21  GLN  56          HE22      GLN  56   7.857 -10.306 -18.820
  440   HE22  GLN  56          HE21      GLN  56   8.991 -10.104 -20.141
  441    H    ALA  57           H        ALA  57   6.978 -12.478 -14.738
  442    HA   ALA  57           HA       ALA  57   4.967 -10.671 -15.465
  443    HB1  ALA  57           HB1      ALA  57   5.607 -11.529 -12.624
  444    HB2  ALA  57           HB2      ALA  57   4.054 -10.989 -13.275
  445    HB3  ALA  57           HB3      ALA  57   4.746 -12.534 -13.819
  446    H    LYS  58           H        LYS  58   7.811 -10.103 -13.301
  447    HA   LYS  58           HA       LYS  58   7.061  -7.539 -12.410
  448    HB2  LYS  58           HB2      LYS  58   8.937  -8.603 -11.406
  449    HB3  LYS  58           HB3      LYS  58   9.831  -8.665 -12.942
  450    HG2  LYS  58           HG2      LYS  58  10.022  -6.268 -13.031
  451    HG3  LYS  58           HG3      LYS  58   8.900  -6.061 -11.691
  452    HD2  LYS  58           HD2      LYS  58  10.442  -6.606 -10.081
  453    HD3  LYS  58           HD3      LYS  58  11.473  -7.552 -11.183
  454    HE2  LYS  58           HE2      LYS  58  11.084  -4.535 -11.404
  455    HE3  LYS  58           HE3      LYS  58  12.363  -5.266 -10.432
  456    HZ1  LYS  58           HZ1      LYS  58  13.122  -4.668 -12.659
  457    HZ2  LYS  58           HZ2      LYS  58  13.270  -6.268 -12.415
  458    HZ3  LYS  58           HZ3      LYS  58  12.071  -5.698 -13.373
  459    H    GLU  59           H        GLU  59   8.723  -8.526 -15.443
  460    HA   GLU  59           HA       GLU  59   9.104  -5.785 -16.301
  461    HB2  GLU  59           HB2      GLU  59   9.336  -8.406 -17.836
  462    HB3  GLU  59           HB3      GLU  59   9.873  -6.828 -18.416
  463    HG2  GLU  59           HG2      GLU  59  10.974  -8.351 -16.015
  464    HG3  GLU  59           HG3      GLU  59  11.765  -8.119 -17.564
  465    H    ILE  60           H        ILE  60   6.656  -8.308 -16.918
  466    HA   ILE  60           HA       ILE  60   5.174  -6.907 -18.928
  467    HB   ILE  60           HB       ILE  60   4.696  -9.128 -16.946
  468   HG12  ILE  60          HG12      ILE  60   4.352  -8.973 -19.972
  469   HG13  ILE  60          HG13      ILE  60   5.857  -9.412 -19.166
  470   HG21  ILE  60          HG21      ILE  60   2.569  -8.003 -16.778
  471   HG22  ILE  60          HG22      ILE  60   2.462  -7.883 -18.549
  472   HG23  ILE  60          HG23      ILE  60   2.367  -9.461 -17.726
  473   HD11  ILE  60          HD11      ILE  60   4.774 -11.441 -19.836
  474   HD12  ILE  60          HD12      ILE  60   4.679 -11.330 -18.066
  475   HD13  ILE  60          HD13      ILE  60   3.250 -10.981 -19.072
  476    H    LEU  61           H        LEU  61   4.926  -6.829 -15.308
  477    HA   LEU  61           HA       LEU  61   2.783  -4.889 -15.420
  478    HB2  LEU  61           HB2      LEU  61   4.681  -5.701 -13.192
  479    HB3  LEU  61           HB3      LEU  61   3.334  -4.569 -12.996
  480    HG   LEU  61           HG       LEU  61   3.137  -7.527 -13.689
  481   HD11  LEU  61          HD11      LEU  61   2.202  -5.911 -11.285
  482   HD12  LEU  61          HD12      LEU  61   2.008  -7.665 -11.516
  483   HD13  LEU  61          HD13      LEU  61   3.626  -6.972 -11.328
  484   HD21  LEU  61          HD21      LEU  61   1.353  -6.507 -14.932
  485   HD22  LEU  61          HD22      LEU  61   0.652  -7.168 -13.460
  486   HD23  LEU  61          HD23      LEU  61   0.950  -5.419 -13.578
  487    H    SER  62           H        SER  62   6.327  -4.617 -15.380
  488    HA   SER  62           HA       SER  62   6.410  -1.768 -15.042
  489    HB2  SER  62           HB2      SER  62   8.344  -3.545 -16.585
  490    HB3  SER  62           HB3      SER  62   8.652  -1.919 -15.968
  491    HG   SER  62           HG       SER  62   8.098  -4.262 -14.428
  492    H    GLU  63           H        GLU  63   6.035  -3.868 -17.967
  493    HA   GLU  63           HA       GLU  63   5.947  -1.764 -19.864
  494    HB2  GLU  63           HB2      GLU  63   6.328  -4.099 -20.450
  495    HB3  GLU  63           HB3      GLU  63   4.718  -4.552 -19.899
  496    HG2  GLU  63           HG2      GLU  63   3.688  -3.172 -21.648
  497    HG3  GLU  63           HG3      GLU  63   5.289  -2.663 -22.203
  498    H    MET  64           H        MET  64   3.382  -3.245 -17.830
  499    HA   MET  64           HA       MET  64   1.247  -1.567 -18.833
  500    HB2  MET  64           HB2      MET  64   1.541  -3.099 -16.219
  501    HB3  MET  64           HB3      MET  64   0.080  -2.262 -16.737
  502    HG2  MET  64           HG2      MET  64  -0.075  -3.711 -18.725
  503    HG3  MET  64           HG3      MET  64   1.392  -4.552 -18.227
  504    HE1  MET  64           HE1      MET  64  -2.424  -4.113 -17.779
  505    HE2  MET  64           HE2      MET  64  -2.772  -4.909 -16.231
  506    HE3  MET  64           HE3      MET  64  -1.925  -3.350 -16.251
  507    H    GLY  65           H        GLY  65   4.016  -0.662 -17.092
  508    HA2  GLY  65           HA2      GLY  65   4.580   1.427 -16.395
  509    HA3  GLY  65           HA3      GLY  65   2.916   1.975 -16.641
  510    H    TYR  66           H        TYR  66   3.464  -0.851 -14.557
  511    HA   TYR  66           HA       TYR  66   2.462   0.600 -12.226
  512    HB2  TYR  66           HB2      TYR  66   3.421  -2.232 -12.663
  513    HB3  TYR  66           HB3      TYR  66   3.115  -1.580 -11.060
  514    HD1  TYR  66           HD1      TYR  66   1.337  -1.629 -14.408
  515    HD2  TYR  66           HD2      TYR  66   1.019  -2.053 -10.127
  516    HE1  TYR  66           HE1      TYR  66  -1.099  -1.880 -14.627
  517    HE2  TYR  66           HE2      TYR  66  -1.431  -2.383 -10.349
  518    HH   TYR  66           HH       TYR  66  -3.114  -2.087 -13.519
  519    H    THR  67           H        THR  67   3.660   1.574 -10.657
  520    HA   THR  67           HA       THR  67   6.462   2.051 -11.393
  521    HB   THR  67           HB       THR  67   6.041   4.024  -9.792
  522    HG1  THR  67           HG1      THR  67   3.944   4.427  -9.269
  523   HG21  THR  67          HG21      THR  67   4.790   5.291 -11.462
  524   HG22  THR  67          HG22      THR  67   5.931   4.213 -12.281
  525   HG23  THR  67          HG23      THR  67   4.204   3.795 -12.218
  526    H    HIS  68           H        HIS  68   4.891   0.063  -9.121
  527    HA   HIS  68           HA       HIS  68   7.312   0.076  -7.421
  528    HB2  HIS  68           HB2      HIS  68   4.997   1.390  -6.687
  529    HB3  HIS  68           HB3      HIS  68   4.712  -0.183  -5.972
  530    HD1  HIS  68           HD1      HIS  68   5.935  -0.511  -3.608
  531    HD2  HIS  68           HD2      HIS  68   7.320   2.676  -5.997
  532    HE1  HIS  68           HE1      HIS  68   7.605   0.768  -2.190
  533    H    VAL  69           H        VAL  69   6.584  -1.753  -9.487
  534    HA   VAL  69           HA       VAL  69   5.555  -4.214  -8.466
  535    HB   VAL  69           HB       VAL  69   6.673  -5.198 -10.379
  536   HG11  VAL  69          HG11      VAL  69   4.567  -4.004 -10.800
  537   HG12  VAL  69          HG12      VAL  69   5.475  -2.514 -11.163
  538   HG13  VAL  69          HG13      VAL  69   5.662  -3.927 -12.199
  539   HG21  VAL  69          HG21      VAL  69   8.839  -4.068 -10.412
  540   HG22  VAL  69          HG22      VAL  69   8.034  -3.897 -11.968
  541   HG23  VAL  69          HG23      VAL  69   8.061  -2.523 -10.847
  542    H    GLU  70           H        GLU  70   6.724  -6.054  -7.594
  543    HA   GLU  70           HA       GLU  70   9.611  -5.693  -7.180
  544    HB2  GLU  70           HB2      GLU  70   8.332  -4.794  -5.123
  545    HB3  GLU  70           HB3      GLU  70   7.840  -6.470  -4.817
  546    HG2  GLU  70           HG2      GLU  70  10.198  -7.152  -4.711
  547    HG3  GLU  70           HG3      GLU  70  10.719  -5.531  -5.180
  548    H    ASN  71           H        ASN  71  10.614  -7.598  -7.690
  549    HA   ASN  71           HA       ASN  71   8.918  -9.961  -8.191
  550    HB2  ASN  71           HB2      ASN  71  10.802  -9.394  -9.754
  551    HB3  ASN  71           HB3      ASN  71  11.947  -9.674  -8.427
  552   HD21  ASN  71          HD22      ASN  71   9.438 -11.204 -10.505
  553   HD22  ASN  71          HD21      ASN  71   9.881 -12.854 -10.088
  554    H    ALA  72           H        ALA  72   8.737 -11.659  -6.780
  555    HA   ALA  72           HA       ALA  72  10.375 -11.591  -4.291
  556    HB1  ALA  72           HB1      ALA  72   7.442 -12.321  -4.637
  557    HB2  ALA  72           HB2      ALA  72   8.368 -12.360  -3.121
  558    HB3  ALA  72           HB3      ALA  72   8.071 -10.815  -3.935
  559    H    GLY  73           H        GLY  73  10.604 -13.168  -6.997
  560    HA2  GLY  73           HA2      GLY  73  11.426 -15.205  -7.578
  561    HA3  GLY  73           HA3      GLY  73  11.804 -15.430  -5.866
  562    H    GLY  74           H        GLY  74  10.769 -17.100  -4.842
  563    HA2  GLY  74           HA2      GLY  74   8.104 -17.945  -5.573
  564    HA3  GLY  74           HA3      GLY  74   9.369 -19.070  -6.096
  565    H    LEU  75           H        LEU  75   7.585 -20.024  -4.449
  566    HA   LEU  75           HA       LEU  75   7.527 -19.474  -1.756
  567    HB2  LEU  75           HB2      LEU  75   7.047 -22.059  -3.280
  568    HB3  LEU  75           HB3      LEU  75   6.697 -21.925  -1.568
  569    HG   LEU  75           HG       LEU  75   5.485 -20.003  -3.578
  570   HD11  LEU  75          HD11      LEU  75   4.836 -22.240  -4.258
  571   HD12  LEU  75          HD12      LEU  75   4.389 -22.664  -2.595
  572   HD13  LEU  75          HD13      LEU  75   3.458 -21.436  -3.483
  573   HD21  LEU  75          HD21      LEU  75   3.797 -19.664  -1.837
  574   HD22  LEU  75          HD22      LEU  75   4.581 -20.859  -0.791
  575   HD23  LEU  75          HD23      LEU  75   5.395 -19.320  -1.170
  576    H    LYS  76           H        LYS  76  10.151 -21.199  -3.282
  577    HA   LYS  76           HA       LYS  76  10.980 -22.581  -0.867
  578    HB2  LYS  76           HB2      LYS  76  12.481 -21.966  -3.459
  579    HB3  LYS  76           HB3      LYS  76  13.079 -23.011  -2.165
  580    HG2  LYS  76           HG2      LYS  76  11.120 -24.518  -2.462
  581    HG3  LYS  76           HG3      LYS  76  10.560 -23.513  -3.814
  582    HD2  LYS  76           HD2      LYS  76  12.670 -23.973  -5.037
  583    HD3  LYS  76           HD3      LYS  76  13.232 -24.980  -3.683
  584    HE2  LYS  76           HE2      LYS  76  11.254 -26.467  -3.987
  585    HE3  LYS  76           HE3      LYS  76  10.722 -25.477  -5.351
  586    HZ1  LYS  76           HZ1      LYS  76  13.257 -27.010  -5.242
  587    HZ2  LYS  76           HZ2      LYS  76  11.933 -27.428  -6.090
  588    HZ3  LYS  76           HZ3      LYS  76  12.771 -26.095  -6.507
  589    H    ASP  77           H        ASP  77  11.325 -19.300  -1.945
  590    HA   ASP  77           HA       ASP  77  13.581 -18.867  -0.016
  591    HB2  ASP  77           HB2      ASP  77  14.236 -18.842  -2.404
  592    HB3  ASP  77           HB3      ASP  77  13.053 -17.571  -2.712
  593    H    ILE  78           H        ILE  78  10.348 -18.052  -0.721
  594    HA   ILE  78           HA       ILE  78  10.375 -15.267  -0.178
  595    HB   ILE  78           HB       ILE  78   8.251 -17.412  -0.202
  596   HG12  ILE  78          HG12      ILE  78   8.606 -14.849  -1.826
  597   HG13  ILE  78          HG13      ILE  78   9.320 -16.379  -2.283
  598   HG21  ILE  78          HG21      ILE  78   7.441 -15.938   1.520
  599   HG22  ILE  78          HG22      ILE  78   7.771 -14.495   0.534
  600   HG23  ILE  78          HG23      ILE  78   6.501 -15.643   0.070
  601   HD11  ILE  78          HD11      ILE  78   7.378 -16.263  -3.551
  602   HD12  ILE  78          HD12      ILE  78   6.923 -17.356  -2.241
  603   HD13  ILE  78          HD13      ILE  78   6.382 -15.661  -2.220
  604    H    ALA  79           H        ALA  79  10.141 -17.992   2.057
  605    HA   ALA  79           HA       ALA  79   9.884 -18.151   4.296
  606    HB1  ALA  79           HB1      ALA  79  12.243 -17.529   4.114
  607    HB2  ALA  79           HB2      ALA  79  11.820 -15.810   4.282
  608    HB3  ALA  79           HB3      ALA  79  11.531 -16.935   5.626
  609    H    MET  80           H        MET  80   7.598 -17.379   3.715
  610    HA   MET  80           HA       MET  80   6.780 -15.281   5.647
  611    HB2  MET  80           HB2      MET  80   5.719 -15.691   2.812
  612    HB3  MET  80           HB3      MET  80   4.844 -14.796   4.014
  613    HG2  MET  80           HG2      MET  80   7.651 -14.054   3.134
  614    HG3  MET  80           HG3      MET  80   6.189 -13.393   2.416
  615    HE1  MET  80           HE1      MET  80   4.170 -12.653   4.611
  616    HE2  MET  80           HE2      MET  80   4.723 -11.024   5.049
  617    HE3  MET  80           HE3      MET  80   4.746 -11.539   3.349
  618    HA   PRO  81           HA       PRO  81   3.972 -18.540   6.938
  619    HB2  PRO  81           HB2      PRO  81   1.521 -17.249   7.215
  620    HB3  PRO  81           HB3      PRO  81   2.851 -17.210   8.410
  621    HG2  PRO  81           HG2      PRO  81   2.218 -15.177   6.254
  622    HG3  PRO  81           HG3      PRO  81   2.596 -14.881   7.984
  623    HD2  PRO  81           HD2      PRO  81   4.498 -14.598   6.113
  624    HD3  PRO  81           HD3      PRO  81   4.895 -15.401   7.652
  625    H    LYS  82           H        LYS  82   2.192 -19.862   6.161
  626    HA   LYS  82           HA       LYS  82   1.609 -19.525   3.252
  627    HB2  LYS  82           HB2      LYS  82   3.161 -21.674   4.717
  628    HB3  LYS  82           HB3      LYS  82   2.191 -22.150   3.325
  629    HG2  LYS  82           HG2      LYS  82   3.341 -20.801   1.826
  630    HG3  LYS  82           HG3      LYS  82   4.129 -19.841   3.105
  631    HD2  LYS  82           HD2      LYS  82   5.389 -21.934   3.780
  632    HD3  LYS  82           HD3      LYS  82   4.681 -22.734   2.361
  633    HE2  LYS  82           HE2      LYS  82   5.651 -20.743   0.999
  634    HE3  LYS  82           HE3      LYS  82   6.577 -20.343   2.450
  635    HZ1  LYS  82           HZ1      LYS  82   7.859 -21.720   0.936
  636    HZ2  LYS  82           HZ2      LYS  82   7.562 -22.592   2.295
  637    HZ3  LYS  82           HZ3      LYS  82   6.693 -22.879   0.917
  638    H    VAL  83           H        VAL  83   0.148 -21.232   2.493
  639    HA   VAL  83           HA       VAL  83  -1.623 -22.529   4.444
  640    HB   VAL  83           HB       VAL  83  -2.555 -20.878   2.056
  641   HG11  VAL  83          HG11      VAL  83  -4.865 -21.504   2.749
  642   HG12  VAL  83          HG12      VAL  83  -3.932 -22.912   2.251
  643   HG13  VAL  83          HG13      VAL  83  -4.194 -22.591   3.983
  644   HG21  VAL  83          HG21      VAL  83  -3.863 -19.561   3.708
  645   HG22  VAL  83          HG22      VAL  83  -3.096 -20.476   5.027
  646   HG23  VAL  83          HG23      VAL  83  -2.126 -19.430   3.969
  647    H    LYS  84           H        LYS  84  -2.268 -24.594   3.506
  648    HA   LYS  84           HA       LYS  84  -0.910 -25.340   0.984
  649    HB2  LYS  84           HB2      LYS  84  -0.501 -26.882   3.570
  650    HB3  LYS  84           HB3      LYS  84   0.251 -27.170   2.003
  651    HG2  LYS  84           HG2      LYS  84   1.412 -24.873   2.286
  652    HG3  LYS  84           HG3      LYS  84   0.803 -24.878   3.939
  653    HD2  LYS  84           HD2      LYS  84   1.933 -27.159   4.252
  654    HD3  LYS  84           HD3      LYS  84   2.633 -26.942   2.648
  655    HE2  LYS  84           HE2      LYS  84   4.331 -26.258   4.104
  656    HE3  LYS  84           HE3      LYS  84   3.646 -24.752   3.494
  657    HZ1  LYS  84           HZ1      LYS  84   2.392 -24.594   5.609
  658    HZ2  LYS  84           HZ2      LYS  84   3.060 -25.991   6.132
  659    HZ3  LYS  84           HZ3      LYS  84   3.998 -24.688   5.894
  660    H    GLY  85           H        GLY  85  -1.585 -27.428   0.204
  661    HA2  GLY  85           HA2      GLY  85  -4.377 -27.933   0.298
  662    HA3  GLY  85           HA3      GLY  85  -3.135 -29.025  -0.337
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1   0.451  -0.995   1.611
    2    H2   ALA   1           H2       ALA   1   1.802  -0.086   1.461
    3    H3   ALA   1           H3       ALA   1   0.346   0.637   1.693
    4    HA   ALA   1           HA       ALA   1  -0.444  -0.128  -0.438
    5    HB1  ALA   1           HB1      ALA   1   0.583   2.101  -0.329
    6    HB2  ALA   1           HB2      ALA   1   2.193   1.398  -0.599
    7    HB3  ALA   1           HB3      ALA   1   0.956   1.312  -1.865
    8    H    GLU   2           H        GLU   2  -0.193  -2.575  -0.348
    9    HA   GLU   2           HA       GLU   2   1.922  -3.580  -2.097
   10    HB2  GLU   2           HB2      GLU   2   3.045  -3.411   0.105
   11    HB3  GLU   2           HB3      GLU   2   1.735  -4.325   0.858
   12    HG2  GLU   2           HG2      GLU   2   2.355  -6.304  -0.552
   13    HG3  GLU   2           HG3      GLU   2   3.685  -5.366  -1.240
   14    H    HIS   3           H        HIS   3   1.347  -5.581  -2.945
   15    HA   HIS   3           HA       HIS   3  -0.803  -7.207  -1.769
   16    HB2  HIS   3           HB2      HIS   3  -0.614  -6.582  -4.751
   17    HB3  HIS   3           HB3      HIS   3  -1.760  -7.666  -3.974
   18    HD1  HIS   3           HD1      HIS   3  -3.778  -6.385  -2.521
   19    HD2  HIS   3           HD2      HIS   3  -1.211  -4.037  -4.890
   20    HE1  HIS   3           HE1      HIS   3  -4.909  -4.118  -2.772
   21    H    TRP   4           H        TRP   4  -0.589  -9.463  -2.669
   22    HA   TRP   4           HA       TRP   4   2.065 -10.058  -3.870
   23    HB2  TRP   4           HB2      TRP   4   0.664 -11.447  -1.555
   24    HB3  TRP   4           HB3      TRP   4   1.940 -12.201  -2.501
   25    HD1  TRP   4           HD1      TRP   4   1.502  -9.041  -0.307
   26    HE1  TRP   4           HE1      TRP   4   3.656  -8.559   0.938
   27    HE3  TRP   4           HE3      TRP   4   4.393 -12.797  -2.294
   28    HZ2  TRP   4           HZ2      TRP   4   6.298  -9.780   1.190
   29    HZ3  TRP   4           HZ3      TRP   4   6.693 -13.145  -1.467
   30    HH2  TRP   4           HH2      TRP   4   7.668 -11.637   0.251
   31    H    ILE   5           H        ILE   5   1.840 -11.323  -5.642
   32    HA   ILE   5           HA       ILE   5  -0.824 -12.540  -6.195
   33    HB   ILE   5           HB       ILE   5   0.801 -10.888  -8.157
   34   HG12  ILE   5          HG12      ILE   5  -0.239  -9.401  -6.468
   35   HG13  ILE   5          HG13      ILE   5  -0.830  -9.169  -8.099
   36   HG21  ILE   5          HG21      ILE   5  -1.931 -12.228  -8.408
   37   HG22  ILE   5          HG22      ILE   5  -1.221 -11.119  -9.604
   38   HG23  ILE   5          HG23      ILE   5  -0.445 -12.670  -9.262
   39   HD11  ILE   5          HD11      ILE   5  -2.311 -10.628  -5.893
   40   HD12  ILE   5          HD12      ILE   5  -2.612  -8.971  -6.432
   41   HD13  ILE   5          HD13      ILE   5  -2.939 -10.320  -7.531
   42    H    ASP   6           H        ASP   6  -0.405 -14.592  -6.229
   43    HA   ASP   6           HA       ASP   6   2.080 -15.833  -7.093
   44    HB2  ASP   6           HB2      ASP   6   0.508 -16.733  -5.347
   45    HB3  ASP   6           HB3      ASP   6  -0.711 -16.923  -6.566
   46    H    VAL   7           H        VAL   7   2.479 -15.324  -9.275
   47    HA   VAL   7           HA       VAL   7   0.303 -15.231 -11.214
   48    HB   VAL   7           HB       VAL   7   1.878 -14.513 -12.806
   49   HG11  VAL   7          HG11      VAL   7   2.695 -12.474 -11.809
   50   HG12  VAL   7          HG12      VAL   7   1.138 -12.867 -11.074
   51   HG13  VAL   7          HG13      VAL   7   2.636 -13.171 -10.182
   52   HG21  VAL   7          HG21      VAL   7   4.178 -14.958 -10.870
   53   HG22  VAL   7          HG22      VAL   7   3.799 -16.047 -12.219
   54   HG23  VAL   7          HG23      VAL   7   4.248 -14.376 -12.540
   55    H    ARG   8           H        ARG   8   1.730 -17.724  -9.794
   56    HA   ARG   8           HA       ARG   8   2.581 -19.558 -11.803
   57    HB2  ARG   8           HB2      ARG   8   2.965 -19.431  -9.269
   58    HB3  ARG   8           HB3      ARG   8   1.291 -20.012  -9.096
   59    HG2  ARG   8           HG2      ARG   8   1.918 -22.166  -9.966
   60    HG3  ARG   8           HG3      ARG   8   3.543 -21.571 -10.382
   61    HD2  ARG   8           HD2      ARG   8   3.177 -22.967  -8.197
   62    HD3  ARG   8           HD3      ARG   8   4.275 -21.593  -8.186
   63    HE   ARG   8           HE       ARG   8   2.166 -20.309  -7.310
   64   HH11  ARG   8          HH11      ARG   8   3.395 -23.493  -6.168
   65   HH12  ARG   8          HH12      ARG   8   2.483 -23.374  -4.685
   66   HH21  ARG   8          HH21      ARG   8   0.994 -20.313  -5.447
   67   HH22  ARG   8          HH22      ARG   8   1.271 -21.549  -4.204
   68    H    VAL   9           H        VAL   9   1.430 -21.619 -12.290
   69    HA   VAL   9           HA       VAL   9  -1.230 -21.330 -13.128
   70    HB   VAL   9           HB       VAL   9  -1.190 -23.850 -13.332
   71   HG11  VAL   9          HG11      VAL   9   0.486 -23.898 -15.103
   72   HG12  VAL   9          HG12      VAL   9  -0.401 -22.368 -15.147
   73   HG13  VAL   9          HG13      VAL   9   1.247 -22.421 -14.484
   74   HG21  VAL   9          HG21      VAL   9   0.855 -25.089 -12.925
   75   HG22  VAL   9          HG22      VAL   9   1.678 -23.652 -12.297
   76   HG23  VAL   9          HG23      VAL   9   0.313 -24.362 -11.408
   77    HA   PRO  10           HA       PRO  10  -3.460 -21.385  -9.521
   78    HB2  PRO  10           HB2      PRO  10  -5.952 -22.258 -10.209
   79    HB3  PRO  10           HB3      PRO  10  -5.215 -20.758 -10.879
   80    HG2  PRO  10           HG2      PRO  10  -5.255 -23.513 -12.145
   81    HG3  PRO  10           HG3      PRO  10  -5.758 -21.949 -12.874
   82    HD2  PRO  10           HD2      PRO  10  -3.275 -22.943 -13.286
   83    HD3  PRO  10           HD3      PRO  10  -3.526 -21.193 -13.018
   84    H    GLU  11           H        GLU  11  -3.140 -24.618 -10.923
   85    HA   GLU  11           HA       GLU  11  -4.294 -26.087  -8.768
   86    HB2  GLU  11           HB2      GLU  11  -3.754 -27.112 -10.921
   87    HB3  GLU  11           HB3      GLU  11  -2.038 -26.772 -10.703
   88    HG2  GLU  11           HG2      GLU  11  -2.513 -29.125 -10.270
   89    HG3  GLU  11           HG3      GLU  11  -1.915 -28.343  -8.818
   90    H    GLN  12           H        GLN  12  -0.890 -24.918  -9.285
   91    HA   GLN  12           HA       GLN  12   0.082 -26.340  -7.016
   92    HB2  GLN  12           HB2      GLN  12   1.224 -23.991  -8.553
   93    HB3  GLN  12           HB3      GLN  12   2.082 -24.876  -7.273
   94    HG2  GLN  12           HG2      GLN  12   1.885 -26.978  -8.570
   95    HG3  GLN  12           HG3      GLN  12   1.084 -26.097  -9.870
   96   HE21  GLN  12          HE22      GLN  12   2.717 -26.450 -11.469
   97   HE22  GLN  12          HE21      GLN  12   4.319 -25.774 -11.330
   98    H    TYR  13           H        TYR  13  -1.422 -23.147  -7.273
   99    HA   TYR  13           HA       TYR  13  -0.808 -22.068  -4.731
  100    HB2  TYR  13           HB2      TYR  13  -2.053 -20.840  -6.414
  101    HB3  TYR  13           HB3      TYR  13  -3.356 -22.015  -6.372
  102    HD1  TYR  13           HD1      TYR  13  -1.699 -19.310  -4.406
  103    HD2  TYR  13           HD2      TYR  13  -5.118 -21.919  -4.762
  104    HE1  TYR  13           HE1      TYR  13  -2.905 -17.958  -2.714
  105    HE2  TYR  13           HE2      TYR  13  -6.317 -20.596  -3.057
  106    HH   TYR  13           HH       TYR  13  -6.244 -18.756  -1.634
  107    H    GLN  14           H        GLN  14  -3.226 -24.590  -5.621
  108    HA   GLN  14           HA       GLN  14  -4.415 -24.711  -3.006
  109    HB2  GLN  14           HB2      GLN  14  -4.245 -26.965  -5.052
  110    HB3  GLN  14           HB3      GLN  14  -5.421 -26.768  -3.754
  111    HG2  GLN  14           HG2      GLN  14  -6.211 -24.642  -4.897
  112    HG3  GLN  14           HG3      GLN  14  -5.161 -25.054  -6.260
  113   HE21  GLN  14          HE22      GLN  14  -5.490 -27.647  -6.905
  114   HE22  GLN  14          HE21      GLN  14  -7.181 -28.007  -7.156
  115    H    GLN  15           H        GLN  15  -1.583 -26.215  -4.533
  116    HA   GLN  15           HA       GLN  15  -1.282 -28.196  -2.458
  117    HB2  GLN  15           HB2      GLN  15   0.748 -27.328  -4.569
  118    HB3  GLN  15           HB3      GLN  15   0.759 -28.828  -3.649
  119    HG2  GLN  15           HG2      GLN  15  -1.250 -28.004  -5.790
  120    HG3  GLN  15           HG3      GLN  15  -0.033 -29.258  -5.916
  121   HE21  GLN  15          HE22      GLN  15  -3.191 -29.239  -6.028
  122   HE22  GLN  15          HE21      GLN  15  -3.598 -30.525  -4.917
  123    H    GLU  16           H        GLU  16   0.197 -25.005  -3.079
  124    HA   GLU  16           HA       GLU  16   0.428 -24.529  -0.320
  125    HB2  GLU  16           HB2      GLU  16   2.473 -26.021  -0.556
  126    HB3  GLU  16           HB3      GLU  16   3.157 -24.829  -1.659
  127    HG2  GLU  16           HG2      GLU  16   3.237 -23.183   0.159
  128    HG3  GLU  16           HG3      GLU  16   2.276 -24.234   1.199
  129    H    HIS  17           H        HIS  17   0.721 -22.253   0.033
  130    HA   HIS  17           HA       HIS  17   1.682 -20.523  -2.147
  131    HB2  HIS  17           HB2      HIS  17  -0.392 -19.127  -1.978
  132    HB3  HIS  17           HB3      HIS  17  -0.636 -20.704  -2.711
  133    HD1  HIS  17           HD1      HIS  17  -2.256 -22.383  -1.443
  134    HD2  HIS  17           HD2      HIS  17  -1.703 -18.626   0.344
  135    HE1  HIS  17           HE1      HIS  17  -4.063 -22.165   0.351
  136    H    VAL  18           H        VAL  18   2.101 -18.341  -1.393
  137    HA   VAL  18           HA       VAL  18   3.023 -18.056   1.320
  138    HB   VAL  18           HB       VAL  18   2.389 -15.986  -0.840
  139   HG11  VAL  18          HG11      VAL  18   2.348 -14.855   1.319
  140   HG12  VAL  18          HG12      VAL  18   3.848 -15.665   1.817
  141   HG13  VAL  18          HG13      VAL  18   3.861 -14.459   0.507
  142   HG21  VAL  18          HG21      VAL  18   4.856 -15.865  -1.103
  143   HG22  VAL  18          HG22      VAL  18   5.043 -17.207   0.053
  144   HG23  VAL  18          HG23      VAL  18   4.231 -17.452  -1.510
  145    H    GLN  19           H        GLN  19   1.940 -17.352   3.088
  146    HA   GLN  19           HA       GLN  19  -0.806 -17.687   3.346
  147    HB2  GLN  19           HB2      GLN  19   0.880 -17.731   5.159
  148    HB3  GLN  19           HB3      GLN  19   1.094 -15.983   5.014
  149    HG2  GLN  19           HG2      GLN  19  -1.247 -15.621   5.723
  150    HG3  GLN  19           HG3      GLN  19  -1.516 -17.365   5.781
  151   HE21  GLN  19          HE22      GLN  19   0.213 -14.638   7.336
  152   HE22  GLN  19          HE21      GLN  19   0.566 -15.482   8.820
  153    H    GLY  20           H        GLY  20  -2.489 -16.543   2.593
  154    HA2  GLY  20           HA2      GLY  20  -3.917 -14.789   2.372
  155    HA3  GLY  20           HA3      GLY  20  -2.690 -13.710   3.042
  156    H    ALA  21           H        ALA  21  -1.229 -15.242   0.378
  157    HA   ALA  21           HA       ALA  21  -1.451 -12.856  -1.274
  158    HB1  ALA  21           HB1      ALA  21  -0.118 -14.158  -2.871
  159    HB2  ALA  21           HB2      ALA  21   0.595 -14.235  -1.244
  160    HB3  ALA  21           HB3      ALA  21  -0.328 -15.621  -1.882
  161    H    ILE  22           H        ILE  22  -2.299 -12.842  -3.470
  162    HA   ILE  22           HA       ILE  22  -4.775 -14.440  -3.844
  163    HB   ILE  22           HB       ILE  22  -3.632 -12.479  -5.843
  164   HG12  ILE  22          HG12      ILE  22  -3.557 -11.114  -3.837
  165   HG13  ILE  22          HG13      ILE  22  -4.814 -10.579  -4.921
  166   HG21  ILE  22          HG21      ILE  22  -6.042 -12.030  -6.322
  167   HG22  ILE  22          HG22      ILE  22  -5.578 -13.703  -6.596
  168   HG23  ILE  22          HG23      ILE  22  -6.484 -13.274  -5.135
  169   HD11  ILE  22          HD11      ILE  22  -5.300 -12.256  -2.412
  170   HD12  ILE  22          HD12      ILE  22  -5.527 -10.504  -2.557
  171   HD13  ILE  22          HD13      ILE  22  -6.552 -11.599  -3.494
  172    H    ASN  23           H        ASN  23  -4.950 -15.702  -5.925
  173    HA   ASN  23           HA       ASN  23  -2.403 -16.113  -7.378
  174    HB2  ASN  23           HB2      ASN  23  -2.627 -18.227  -6.278
  175    HB3  ASN  23           HB3      ASN  23  -4.357 -18.327  -6.641
  176   HD21  ASN  23          HD22      ASN  23  -1.157 -19.132  -7.808
  177   HD22  ASN  23          HD21      ASN  23  -1.593 -19.457  -9.479
  178    H    ILE  24           H        ILE  24  -2.568 -15.759  -9.431
  179    HA   ILE  24           HA       ILE  24  -5.088 -16.057 -10.841
  180    HB   ILE  24           HB       ILE  24  -3.588 -13.417 -11.070
  181   HG12  ILE  24          HG12      ILE  24  -6.201 -13.717  -9.578
  182   HG13  ILE  24          HG13      ILE  24  -4.615 -13.414  -8.843
  183   HG21  ILE  24          HG21      ILE  24  -6.279 -14.303 -12.130
  184   HG22  ILE  24          HG22      ILE  24  -5.461 -12.748 -12.455
  185   HG23  ILE  24          HG23      ILE  24  -4.757 -14.239 -13.047
  186   HD11  ILE  24          HD11      ILE  24  -5.772 -11.339  -8.945
  187   HD12  ILE  24          HD12      ILE  24  -4.407 -11.291 -10.076
  188   HD13  ILE  24          HD13      ILE  24  -6.065 -11.510 -10.682
  189    HA   PRO  25           HA       PRO  25  -1.476 -17.571 -13.121
  190    HB2  PRO  25           HB2      PRO  25  -2.619 -18.368 -15.489
  191    HB3  PRO  25           HB3      PRO  25  -2.788 -19.274 -13.949
  192    HG2  PRO  25           HG2      PRO  25  -4.749 -17.315 -15.162
  193    HG3  PRO  25           HG3      PRO  25  -5.073 -18.948 -14.495
  194    HD2  PRO  25           HD2      PRO  25  -5.458 -16.674 -13.028
  195    HD3  PRO  25           HD3      PRO  25  -4.861 -18.183 -12.270
  196    H    LEU  26           H        LEU  26  -0.020 -16.607 -14.538
  197    HA   LEU  26           HA       LEU  26  -0.036 -13.924 -14.720
  198    HB2  LEU  26           HB2      LEU  26   1.924 -15.376 -14.962
  199    HB3  LEU  26           HB3      LEU  26   1.420 -15.831 -16.586
  200    HG   LEU  26           HG       LEU  26   1.838 -13.594 -17.430
  201   HD11  LEU  26          HD11      LEU  26   2.886 -11.843 -15.930
  202   HD12  LEU  26          HD12      LEU  26   1.182 -12.126 -15.620
  203   HD13  LEU  26          HD13      LEU  26   2.390 -12.831 -14.531
  204   HD21  LEU  26          HD21      LEU  26   4.139 -14.457 -15.613
  205   HD22  LEU  26          HD22      LEU  26   3.754 -15.173 -17.193
  206   HD23  LEU  26          HD23      LEU  26   4.262 -13.483 -17.089
  207    H    LYS  27           H        LYS  27  -1.286 -16.003 -17.335
  208    HA   LYS  27           HA       LYS  27  -1.634 -14.067 -19.340
  209    HB2  LYS  27           HB2      LYS  27  -1.884 -16.510 -19.638
  210    HB3  LYS  27           HB3      LYS  27  -3.358 -16.494 -18.655
  211    HG2  LYS  27           HG2      LYS  27  -4.484 -15.071 -20.319
  212    HG3  LYS  27           HG3      LYS  27  -2.987 -14.975 -21.273
  213    HD2  LYS  27           HD2      LYS  27  -3.065 -17.430 -21.633
  214    HD3  LYS  27           HD3      LYS  27  -4.555 -17.524 -20.667
  215    HE2  LYS  27           HE2      LYS  27  -5.689 -16.006 -22.278
  216    HE3  LYS  27           HE3      LYS  27  -4.207 -15.913 -23.238
  217    HZ1  LYS  27           HZ1      LYS  27  -4.403 -18.298 -23.649
  218    HZ2  LYS  27           HZ2      LYS  27  -5.774 -18.383 -22.761
  219    HZ3  LYS  27           HZ3      LYS  27  -5.749 -17.528 -24.146
  220    H    GLU  28           H        GLU  28  -3.730 -14.850 -16.517
  221    HA   GLU  28           HA       GLU  28  -5.754 -12.899 -17.348
  222    HB2  GLU  28           HB2      GLU  28  -5.492 -14.953 -15.207
  223    HB3  GLU  28           HB3      GLU  28  -6.256 -13.442 -14.699
  224    HG2  GLU  28           HG2      GLU  28  -7.895 -13.555 -16.465
  225    HG3  GLU  28           HG3      GLU  28  -7.145 -15.022 -17.124
  226    H    VAL  29           H        VAL  29  -3.017 -13.049 -15.051
  227    HA   VAL  29           HA       VAL  29  -3.543 -10.804 -13.498
  228    HB   VAL  29           HB       VAL  29  -0.879 -11.800 -14.568
  229   HG11  VAL  29          HG11      VAL  29  -1.316  -9.841 -12.281
  230   HG12  VAL  29          HG12      VAL  29   0.218 -10.645 -12.677
  231   HG13  VAL  29          HG13      VAL  29  -0.487  -9.500 -13.817
  232   HG21  VAL  29          HG21      VAL  29  -0.659 -12.954 -12.482
  233   HG22  VAL  29          HG22      VAL  29  -2.058 -12.112 -11.791
  234   HG23  VAL  29          HG23      VAL  29  -2.277 -13.323 -13.070
  235    H    LYS  30           H        LYS  30  -2.154 -10.824 -16.796
  236    HA   LYS  30           HA       LYS  30  -1.494  -8.089 -16.815
  237    HB2  LYS  30           HB2      LYS  30  -0.938 -10.201 -18.409
  238    HB3  LYS  30           HB3      LYS  30  -2.283  -9.561 -19.357
  239    HG2  LYS  30           HG2      LYS  30  -1.074  -7.313 -19.375
  240    HG3  LYS  30           HG3      LYS  30   0.269  -8.090 -18.540
  241    HD2  LYS  30           HD2      LYS  30  -0.816  -8.794 -21.309
  242    HD3  LYS  30           HD3      LYS  30   0.648  -7.861 -20.976
  243    HE2  LYS  30           HE2      LYS  30   1.659  -9.837 -19.855
  244    HE3  LYS  30           HE3      LYS  30   0.201 -10.779 -20.196
  245    HZ1  LYS  30           HZ1      LYS  30   1.991  -9.617 -22.256
  246    HZ2  LYS  30           HZ2      LYS  30   1.915 -11.193 -21.844
  247    HZ3  LYS  30           HZ3      LYS  30   0.641 -10.483 -22.565
  248    H    GLU  31           H        GLU  31  -4.646  -9.298 -16.775
  249    HA   GLU  31           HA       GLU  31  -5.595  -6.553 -17.485
  250    HB2  GLU  31           HB2      GLU  31  -7.034  -9.186 -18.010
  251    HB3  GLU  31           HB3      GLU  31  -7.775  -7.583 -18.116
  252    HG2  GLU  31           HG2      GLU  31  -6.111  -6.948 -19.870
  253    HG3  GLU  31           HG3      GLU  31  -5.453  -8.586 -19.822
  254    H    ARG  32           H        ARG  32  -6.123  -9.529 -15.591
  255    HA   ARG  32           HA       ARG  32  -8.123  -8.419 -13.935
  256    HB2  ARG  32           HB2      ARG  32  -7.727 -10.846 -14.472
  257    HB3  ARG  32           HB3      ARG  32  -6.369 -10.830 -13.333
  258    HG2  ARG  32           HG2      ARG  32  -7.855 -10.359 -11.475
  259    HG3  ARG  32           HG3      ARG  32  -9.221 -10.041 -12.559
  260    HD2  ARG  32           HD2      ARG  32  -9.383 -12.335 -13.215
  261    HD3  ARG  32           HD3      ARG  32  -7.813 -12.725 -12.502
  262    HE   ARG  32           HE       ARG  32  -9.586 -11.727 -10.492
  263   HH11  ARG  32          HH21      ARG  32  -9.063 -14.632 -12.501
  264   HH12  ARG  32          HH22      ARG  32  -9.614 -15.725 -11.273
  265   HH21  ARG  32          HH11      ARG  32 -10.350 -13.197  -8.892
  266   HH22  ARG  32          HH12      ARG  32 -10.388 -14.889  -9.201
  267    H    ILE  33           H        ILE  33  -4.611  -8.087 -13.693
  268    HA   ILE  33           HA       ILE  33  -4.553  -7.510 -10.900
  269    HB   ILE  33           HB       ILE  33  -2.500  -7.759 -12.407
  270   HG12  ILE  33          HG12      ILE  33  -1.207  -5.885 -11.193
  271   HG13  ILE  33          HG13      ILE  33  -2.737  -5.413 -10.477
  272   HG21  ILE  33          HG21      ILE  33  -1.608  -5.824 -13.518
  273   HG22  ILE  33          HG22      ILE  33  -3.251  -6.048 -14.147
  274   HG23  ILE  33          HG23      ILE  33  -2.908  -4.807 -12.900
  275   HD11  ILE  33          HD11      ILE  33  -1.451  -8.200 -10.293
  276   HD12  ILE  33          HD12      ILE  33  -1.339  -6.957  -9.044
  277   HD13  ILE  33          HD13      ILE  33  -2.913  -7.683  -9.423
  278    H    ALA  34           H        ALA  34  -5.542  -5.545 -13.747
  279    HA   ALA  34           HA       ALA  34  -5.796  -3.093 -12.354
  280    HB1  ALA  34           HB1      ALA  34  -7.556  -4.083 -14.636
  281    HB2  ALA  34           HB2      ALA  34  -7.288  -2.400 -14.149
  282    HB3  ALA  34           HB3      ALA  34  -5.947  -3.339 -14.835
  283    H    THR  35           H        THR  35  -7.942  -5.923 -12.335
  284    HA   THR  35           HA       THR  35 -10.180  -4.609 -11.137
  285    HB   THR  35           HB       THR  35  -9.524  -7.567 -10.938
  286    HG1  THR  35           HG1      THR  35 -10.423  -7.750 -13.036
  287   HG21  THR  35          HG21      THR  35 -11.965  -7.819 -11.317
  288   HG22  THR  35          HG22      THR  35 -11.636  -6.841  -9.884
  289   HG23  THR  35          HG23      THR  35 -12.136  -6.049 -11.394
  290    H    ALA  36           H        ALA  36  -7.128  -5.725  -9.829
  291    HA   ALA  36           HA       ALA  36  -8.220  -5.764  -7.045
  292    HB1  ALA  36           HB1      ALA  36  -5.809  -7.184  -8.253
  293    HB2  ALA  36           HB2      ALA  36  -6.368  -7.313  -6.572
  294    HB3  ALA  36           HB3      ALA  36  -7.381  -7.931  -7.890
  295    H    VAL  37           H        VAL  37  -5.912  -4.240  -9.171
  296    HA   VAL  37           HA       VAL  37  -4.800  -2.565  -6.995
  297    HB   VAL  37           HB       VAL  37  -3.138  -3.712  -9.259
  298   HG11  VAL  37          HG11      VAL  37  -2.321  -2.691  -6.524
  299   HG12  VAL  37          HG12      VAL  37  -1.240  -3.198  -7.847
  300   HG13  VAL  37          HG13      VAL  37  -2.230  -1.759  -8.028
  301   HG21  VAL  37          HG21      VAL  37  -3.551  -5.080  -6.597
  302   HG22  VAL  37          HG22      VAL  37  -3.788  -5.724  -8.249
  303   HG23  VAL  37          HG23      VAL  37  -2.166  -5.366  -7.674
  304    HA   PRO  38           HA       PRO  38  -6.163  -0.650 -11.082
  305    HB2  PRO  38           HB2      PRO  38  -8.105   1.182 -10.220
  306    HB3  PRO  38           HB3      PRO  38  -8.460  -0.491 -10.722
  307    HG2  PRO  38           HG2      PRO  38  -8.051   0.578  -7.918
  308    HG3  PRO  38           HG3      PRO  38  -9.321  -0.542  -8.504
  309    HD2  PRO  38           HD2      PRO  38  -7.093  -1.452  -7.216
  310    HD3  PRO  38           HD3      PRO  38  -7.816  -2.355  -8.583
  311    H    ASP  39           H        ASP  39  -5.495   0.760  -7.892
  312    HA   ASP  39           HA       ASP  39  -4.343   3.242  -8.984
  313    HB2  ASP  39           HB2      ASP  39  -5.377   3.366  -6.799
  314    HB3  ASP  39           HB3      ASP  39  -4.359   2.055  -6.190
  315    H    LYS  40           H        LYS  40  -2.626   2.826 -10.241
  316    HA   LYS  40           HA       LYS  40  -0.858   0.646 -10.104
  317    HB2  LYS  40           HB2      LYS  40  -0.576   3.437 -11.302
  318    HB3  LYS  40           HB3      LYS  40   0.611   2.166 -11.532
  319    HG2  LYS  40           HG2      LYS  40  -1.285   0.674 -12.398
  320    HG3  LYS  40           HG3      LYS  40  -2.311   2.117 -12.392
  321    HD2  LYS  40           HD2      LYS  40  -0.658   3.225 -13.942
  322    HD3  LYS  40           HD3      LYS  40   0.250   1.695 -13.988
  323    HE2  LYS  40           HE2      LYS  40  -1.821   0.536 -14.805
  324    HE3  LYS  40           HE3      LYS  40  -2.647   2.098 -14.851
  325    HZ1  LYS  40           HZ1      LYS  40  -0.966   2.825 -16.484
  326    HZ2  LYS  40           HZ2      LYS  40  -0.288   1.324 -16.483
  327    HZ3  LYS  40           HZ3      LYS  40  -1.813   1.541 -17.019
  328    H    ASN  41           H        ASN  41  -0.907   3.374  -7.946
  329    HA   ASN  41           HA       ASN  41   1.923   3.403  -7.344
  330    HB2  ASN  41           HB2      ASN  41   0.368   5.317  -6.924
  331    HB3  ASN  41           HB3      ASN  41  -0.448   4.350  -5.692
  332   HD21  ASN  41          HD22      ASN  41   0.312   4.601  -3.588
  333   HD22  ASN  41          HD21      ASN  41   1.881   5.241  -3.183
  334    H    ASP  42           H        ASP  42  -0.711   1.259  -6.373
  335    HA   ASP  42           HA       ASP  42   0.449   0.431  -3.832
  336    HB2  ASP  42           HB2      ASP  42  -1.750  -0.532  -5.626
  337    HB3  ASP  42           HB3      ASP  42  -0.954  -1.738  -4.626
  338    H    THR  43           H        THR  43   2.139  -0.975  -3.496
  339    HA   THR  43           HA       THR  43   3.729  -1.920  -5.674
  340    HB   THR  43           HB       THR  43   3.729  -2.920  -2.798
  341    HG1  THR  43           HG1      THR  43   3.974  -0.878  -2.491
  342   HG21  THR  43          HG21      THR  43   5.925  -2.840  -4.896
  343   HG22  THR  43          HG22      THR  43   6.171  -3.203  -3.170
  344   HG23  THR  43          HG23      THR  43   5.172  -4.272  -4.147
  345    H    VAL  44           H        VAL  44   3.966  -4.041  -6.498
  346    HA   VAL  44           HA       VAL  44   2.065  -6.092  -5.508
  347    HB   VAL  44           HB       VAL  44   2.855  -5.750  -8.440
  348   HG11  VAL  44          HG11      VAL  44   1.090  -7.436  -8.808
  349   HG12  VAL  44          HG12      VAL  44   2.289  -8.072  -7.678
  350   HG13  VAL  44          HG13      VAL  44   0.742  -7.462  -7.062
  351   HG21  VAL  44          HG21      VAL  44   0.243  -4.966  -7.078
  352   HG22  VAL  44          HG22      VAL  44   1.370  -3.878  -7.917
  353   HG23  VAL  44          HG23      VAL  44   0.477  -5.087  -8.840
  354    H    LYS  45           H        LYS  45   3.098  -7.857  -4.896
  355    HA   LYS  45           HA       LYS  45   5.965  -8.234  -5.620
  356    HB2  LYS  45           HB2      LYS  45   4.380  -8.972  -3.119
  357    HB3  LYS  45           HB3      LYS  45   6.015  -9.560  -3.477
  358    HG2  LYS  45           HG2      LYS  45   6.788  -7.210  -3.722
  359    HG3  LYS  45           HG3      LYS  45   5.180  -6.633  -3.243
  360    HD2  LYS  45           HD2      LYS  45   5.450  -7.529  -1.023
  361    HD3  LYS  45           HD3      LYS  45   6.927  -8.410  -1.483
  362    HE2  LYS  45           HE2      LYS  45   8.135  -6.344  -1.891
  363    HE3  LYS  45           HE3      LYS  45   6.671  -5.377  -1.663
  364    HZ1  LYS  45           HZ1      LYS  45   6.639  -5.917   0.623
  365    HZ2  LYS  45           HZ2      LYS  45   7.897  -6.990   0.496
  366    HZ3  LYS  45           HZ3      LYS  45   8.146  -5.390   0.281
  367    H    VAL  46           H        VAL  46   5.698  -9.343  -7.497
  368    HA   VAL  46           HA       VAL  46   3.713 -11.477  -7.702
  369    HB   VAL  46           HB       VAL  46   4.816 -11.848  -9.946
  370   HG11  VAL  46          HG11      VAL  46   2.776 -10.477  -9.644
  371   HG12  VAL  46          HG12      VAL  46   3.780  -9.033  -9.382
  372   HG13  VAL  46          HG13      VAL  46   3.794  -9.858 -10.952
  373   HG21  VAL  46          HG21      VAL  46   6.275  -9.225  -9.362
  374   HG22  VAL  46          HG22      VAL  46   7.049 -10.825  -9.442
  375   HG23  VAL  46          HG23      VAL  46   6.266 -10.137 -10.869
  376    H    TYR  47           H        TYR  47   4.098 -13.704  -7.622
  377    HA   TYR  47           HA       TYR  47   6.861 -14.649  -7.520
  378    HB2  TYR  47           HB2      TYR  47   6.797 -15.831  -5.579
  379    HB3  TYR  47           HB3      TYR  47   6.140 -14.268  -5.111
  380    HD1  TYR  47           HD2      TYR  47   3.678 -14.028  -4.663
  381    HD2  TYR  47           HD1      TYR  47   5.563 -17.858  -5.304
  382    HE1  TYR  47           HE2      TYR  47   1.782 -15.154  -3.557
  383    HE2  TYR  47           HE1      TYR  47   3.636 -18.992  -4.245
  384    HH   TYR  47           HH       TYR  47   0.806 -17.205  -2.991
  385    H    CYS  48           H        CYS  48   6.830 -17.168  -7.597
  386    HA   CYS  48           HA       CYS  48   4.542 -18.418  -8.708
  387    HB2  CYS  48           HB2      CYS  48   5.469 -18.977 -10.908
  388    HB3  CYS  48           HB3      CYS  48   5.371 -17.226 -10.732
  389    HG   CYS  48           HG       CYS  48   7.871 -16.860 -10.012
  390    H    ASN  49           H        ASN  49   6.277 -20.605  -9.888
  391    HA   ASN  49           HA       ASN  49   6.627 -22.034  -7.417
  392    HB2  ASN  49           HB2      ASN  49   6.037 -23.116  -9.575
  393    HB3  ASN  49           HB3      ASN  49   7.632 -22.728 -10.216
  394   HD21  ASN  49          HD22      ASN  49   5.801 -25.050  -8.428
  395   HD22  ASN  49          HD21      ASN  49   7.151 -26.013  -7.867
  396    H    ALA  50           H        ALA  50   9.051 -20.772  -9.772
  397    HA   ALA  50           HA       ALA  50  11.135 -20.967  -7.636
  398    HB1  ALA  50           HB1      ALA  50  12.626 -21.992  -9.292
  399    HB2  ALA  50           HB2      ALA  50  11.158 -22.959  -9.089
  400    HB3  ALA  50           HB3      ALA  50  11.346 -21.920 -10.521
  401    H    GLY  51           H        GLY  51   9.704 -18.794  -9.812
  402    HA2  GLY  51           HA2      GLY  51  10.470 -16.532  -9.409
  403    HA3  GLY  51           HA3      GLY  51  12.129 -17.049  -9.668
  404    H    ARG  52           H        ARG  52  10.935 -18.756 -12.071
  405    HA   ARG  52           HA       ARG  52  11.810 -16.952 -14.065
  406    HB2  ARG  52           HB2      ARG  52  11.930 -19.343 -14.371
  407    HB3  ARG  52           HB3      ARG  52  10.176 -19.524 -14.244
  408    HG2  ARG  52           HG2      ARG  52   9.835 -18.340 -16.351
  409    HG3  ARG  52           HG3      ARG  52  11.575 -17.970 -16.464
  410    HD2  ARG  52           HD2      ARG  52  12.072 -20.393 -16.599
  411    HD3  ARG  52           HD3      ARG  52  10.337 -20.757 -16.472
  412    HE   ARG  52           HE       ARG  52  10.731 -18.958 -18.629
  413   HH11  ARG  52          HH11      ARG  52  11.442 -22.339 -17.812
  414   HH12  ARG  52          HH12      ARG  52  11.428 -22.888 -19.446
  415   HH21  ARG  52          HH21      ARG  52  10.708 -19.687 -20.810
  416   HH22  ARG  52          HH22      ARG  52  11.001 -21.341 -21.186
  417    H    GLN  53           H        GLN  53   8.426 -18.086 -13.510
  418    HA   GLN  53           HA       GLN  53   7.438 -16.327 -15.533
  419    HB2  GLN  53           HB2      GLN  53   6.482 -18.517 -14.819
  420    HB3  GLN  53           HB3      GLN  53   5.846 -17.739 -13.353
  421    HG2  GLN  53           HG2      GLN  53   4.304 -16.446 -14.581
  422    HG3  GLN  53           HG3      GLN  53   5.160 -16.715 -16.109
  423   HE21  GLN  53          HE22      GLN  53   2.495 -17.869 -14.154
  424   HE22  GLN  53          HE21      GLN  53   2.227 -19.315 -15.088
  425    H    SER  54           H        SER  54   7.808 -15.956 -11.984
  426    HA   SER  54           HA       SER  54   6.257 -13.519 -11.871
  427    HB2  SER  54           HB2      SER  54   7.350 -13.324  -9.626
  428    HB3  SER  54           HB3      SER  54   6.472 -14.830  -9.926
  429    HG   SER  54           HG       SER  54   8.619 -15.136  -8.957
  430    H    GLY  55           H        GLY  55   9.723 -14.299 -12.460
  431    HA2  GLY  55           HA2      GLY  55  10.732 -11.653 -12.337
  432    HA3  GLY  55           HA3      GLY  55  11.382 -12.985 -13.320
  433    H    GLN  56           H        GLN  56   9.423 -13.555 -15.118
  434    HA   GLN  56           HA       GLN  56   9.484 -11.397 -16.959
  435    HB2  GLN  56           HB2      GLN  56   9.237 -13.793 -17.575
  436    HB3  GLN  56           HB3      GLN  56   7.615 -13.807 -16.872
  437    HG2  GLN  56           HG2      GLN  56   7.535 -13.638 -19.309
  438    HG3  GLN  56           HG3      GLN  56   6.818 -12.236 -18.542
  439   HE21  GLN  56          HE21      GLN  56   8.030 -10.159 -18.583
  440   HE22  GLN  56          HE22      GLN  56   9.222  -9.903 -19.841
  441    H    ALA  57           H        ALA  57   6.910 -12.461 -14.666
  442    HA   ALA  57           HA       ALA  57   4.946 -10.628 -15.464
  443    HB1  ALA  57           HB1      ALA  57   3.893 -11.032 -13.341
  444    HB2  ALA  57           HB2      ALA  57   4.600 -12.556 -13.920
  445    HB3  ALA  57           HB3      ALA  57   5.401 -11.626 -12.631
  446    H    LYS  58           H        LYS  58   7.658 -10.146 -13.113
  447    HA   LYS  58           HA       LYS  58   6.795  -7.663 -12.143
  448    HB2  LYS  58           HB2      LYS  58   8.575  -8.520 -10.969
  449    HB3  LYS  58           HB3      LYS  58   9.553  -8.840 -12.414
  450    HG2  LYS  58           HG2      LYS  58  10.058  -6.562 -12.746
  451    HG3  LYS  58           HG3      LYS  58   8.801  -5.994 -11.656
  452    HD2  LYS  58           HD2      LYS  58   9.994  -6.646  -9.724
  453    HD3  LYS  58           HD3      LYS  58  11.221  -7.534 -10.658
  454    HE2  LYS  58           HE2      LYS  58  10.702  -4.538 -10.929
  455    HE3  LYS  58           HE3      LYS  58  11.916  -5.221  -9.844
  456    HZ1  LYS  58           HZ1      LYS  58  11.932  -5.592 -12.807
  457    HZ2  LYS  58           HZ2      LYS  58  12.867  -4.551 -11.963
  458    HZ3  LYS  58           HZ3      LYS  58  13.053  -6.151 -11.750
  459    H    GLU  59           H        GLU  59   8.672  -8.492 -15.084
  460    HA   GLU  59           HA       GLU  59   9.157  -5.720 -15.769
  461    HB2  GLU  59           HB2      GLU  59   9.477  -8.296 -17.367
  462    HB3  GLU  59           HB3      GLU  59  10.019  -6.706 -17.908
  463    HG2  GLU  59           HG2      GLU  59  11.015  -8.188 -15.433
  464    HG3  GLU  59           HG3      GLU  59  11.871  -8.023 -16.957
  465    H    ILE  60           H        ILE  60   6.743  -8.176 -16.691
  466    HA   ILE  60           HA       ILE  60   5.402  -6.687 -18.719
  467    HB   ILE  60           HB       ILE  60   4.691  -8.904 -16.791
  468   HG12  ILE  60          HG12      ILE  60   4.659  -8.819 -19.835
  469   HG13  ILE  60          HG13      ILE  60   6.084  -9.240 -18.895
  470   HG21  ILE  60          HG21      ILE  60   2.691  -7.659 -18.698
  471   HG22  ILE  60          HG22      ILE  60   2.470  -9.182 -17.790
  472   HG23  ILE  60          HG23      ILE  60   2.600  -7.675 -16.921
  473   HD11  ILE  60          HD11      ILE  60   3.464 -10.798 -18.919
  474   HD12  ILE  60          HD12      ILE  60   5.003 -11.269 -19.639
  475   HD13  ILE  60          HD13      ILE  60   4.857 -11.155 -17.873
  476    H    LEU  61           H        LEU  61   4.801  -6.771 -15.126
  477    HA   LEU  61           HA       LEU  61   2.701  -4.824 -15.352
  478    HB2  LEU  61           HB2      LEU  61   4.398  -5.652 -12.981
  479    HB3  LEU  61           HB3      LEU  61   3.006  -4.569 -12.882
  480    HG   LEU  61           HG       LEU  61   2.974  -7.506 -13.675
  481   HD11  LEU  61          HD11      LEU  61   1.654  -7.775 -11.626
  482   HD12  LEU  61          HD12      LEU  61   3.214  -7.025 -11.257
  483   HD13  LEU  61          HD13      LEU  61   1.744  -6.027 -11.310
  484   HD21  LEU  61          HD21      LEU  61   0.456  -7.240 -13.660
  485   HD22  LEU  61          HD22      LEU  61   0.716  -5.481 -13.730
  486   HD23  LEU  61          HD23      LEU  61   1.278  -6.543 -15.047
  487    H    SER  62           H        SER  62   6.216  -4.527 -14.866
  488    HA   SER  62           HA       SER  62   6.230  -1.711 -14.343
  489    HB2  SER  62           HB2      SER  62   8.374  -3.425 -15.664
  490    HB3  SER  62           HB3      SER  62   8.597  -1.838 -14.912
  491    HG   SER  62           HG       SER  62   7.862  -4.293 -13.668
  492    H    GLU  63           H        GLU  63   6.348  -3.612 -17.421
  493    HA   GLU  63           HA       GLU  63   6.576  -1.378 -19.157
  494    HB2  GLU  63           HB2      GLU  63   7.146  -3.658 -19.789
  495    HB3  GLU  63           HB3      GLU  63   5.474  -4.188 -19.588
  496    HG2  GLU  63           HG2      GLU  63   4.743  -2.805 -21.442
  497    HG3  GLU  63           HG3      GLU  63   6.347  -2.072 -21.586
  498    H    MET  64           H        MET  64   3.751  -3.029 -17.712
  499    HA   MET  64           HA       MET  64   1.741  -1.386 -18.983
  500    HB2  MET  64           HB2      MET  64   1.732  -3.066 -16.446
  501    HB3  MET  64           HB3      MET  64   0.307  -2.247 -17.081
  502    HG2  MET  64           HG2      MET  64   0.256  -3.566 -19.045
  503    HG3  MET  64           HG3      MET  64   1.889  -4.172 -18.795
  504    HE1  MET  64           HE1      MET  64  -1.827  -4.289 -17.453
  505    HE2  MET  64           HE2      MET  64  -1.724  -5.566 -16.222
  506    HE3  MET  64           HE3      MET  64  -0.943  -4.002 -15.932
  507    H    GLY  65           H        GLY  65   4.184  -0.404 -16.895
  508    HA2  GLY  65           HA2      GLY  65   4.552   1.698 -16.130
  509    HA3  GLY  65           HA3      GLY  65   2.907   2.161 -16.591
  510    H    TYR  66           H        TYR  66   3.263  -0.633 -14.445
  511    HA   TYR  66           HA       TYR  66   1.917   0.771 -12.275
  512    HB2  TYR  66           HB2      TYR  66   3.086  -2.006 -12.564
  513    HB3  TYR  66           HB3      TYR  66   2.564  -1.369 -11.014
  514    HD1  TYR  66           HD1      TYR  66   1.158  -1.473 -14.546
  515    HD2  TYR  66           HD2      TYR  66   0.431  -2.029 -10.327
  516    HE1  TYR  66           HE1      TYR  66  -1.228  -1.841 -15.018
  517    HE2  TYR  66           HE2      TYR  66  -1.950  -2.502 -10.813
  518    HH   TYR  66           HH       TYR  66  -3.340  -2.208 -14.118
  519    H    THR  67           H        THR  67   2.899   2.117 -10.859
  520    HA   THR  67           HA       THR  67   5.669   2.689 -11.346
  521    HB   THR  67           HB       THR  67   5.145   4.557  -9.694
  522    HG1  THR  67           HG1      THR  67   2.989   4.785  -9.129
  523   HG21  THR  67          HG21      THR  67   3.175   4.218 -12.012
  524   HG22  THR  67          HG22      THR  67   3.680   5.748 -11.260
  525   HG23  THR  67          HG23      THR  67   4.851   4.787 -12.177
  526    H    HIS  68           H        HIS  68   4.106   0.624  -9.083
  527    HA   HIS  68           HA       HIS  68   6.707   0.245  -7.697
  528    HB2  HIS  68           HB2      HIS  68   3.949   0.408  -6.416
  529    HB3  HIS  68           HB3      HIS  68   5.344  -0.365  -5.664
  530    HD1  HIS  68           HD1      HIS  68   6.711   1.140  -4.117
  531    HD2  HIS  68           HD2      HIS  68   4.467   3.219  -7.008
  532    HE1  HIS  68           HE1      HIS  68   7.040   3.617  -3.631
  533    H    VAL  69           H        VAL  69   7.350  -1.683  -8.451
  534    HA   VAL  69           HA       VAL  69   5.568  -4.001  -8.196
  535    HB   VAL  69           HB       VAL  69   7.238  -3.476 -10.703
  536   HG11  VAL  69          HG11      VAL  69   7.139  -5.874 -10.103
  537   HG12  VAL  69          HG12      VAL  69   5.366  -5.784  -9.982
  538   HG13  VAL  69          HG13      VAL  69   6.181  -5.548 -11.544
  539   HG21  VAL  69          HG21      VAL  69   4.200  -3.537 -10.444
  540   HG22  VAL  69          HG22      VAL  69   5.195  -2.111 -10.814
  541   HG23  VAL  69          HG23      VAL  69   5.128  -3.437 -11.962
  542    H    GLU  70           H        GLU  70   6.799  -5.804  -7.527
  543    HA   GLU  70           HA       GLU  70   9.728  -5.613  -7.516
  544    HB2  GLU  70           HB2      GLU  70   9.049  -4.584  -5.394
  545    HB3  GLU  70           HB3      GLU  70   7.960  -5.922  -5.055
  546    HG2  GLU  70           HG2      GLU  70   9.947  -6.130  -3.722
  547    HG3  GLU  70           HG3      GLU  70   9.886  -7.459  -4.880
  548    H    ASN  71           H        ASN  71  10.655  -7.731  -7.252
  549    HA   ASN  71           HA       ASN  71   8.780  -9.947  -8.010
  550    HB2  ASN  71           HB2      ASN  71  10.488  -9.494  -9.744
  551    HB3  ASN  71           HB3      ASN  71  11.777  -9.649  -8.536
  552   HD21  ASN  71          HD22      ASN  71   9.030 -11.367 -10.078
  553   HD22  ASN  71          HD21      ASN  71   9.646 -12.985  -9.741
  554    H    ALA  72           H        ALA  72   8.323 -11.180  -6.238
  555    HA   ALA  72           HA       ALA  72   9.992 -10.967  -3.875
  556    HB1  ALA  72           HB1      ALA  72   8.434 -12.626  -2.927
  557    HB2  ALA  72           HB2      ALA  72   7.564 -11.276  -3.681
  558    HB3  ALA  72           HB3      ALA  72   7.684 -12.838  -4.522
  559    H    GLY  73           H        GLY  73   9.564 -13.360  -6.492
  560    HA2  GLY  73           HA2      GLY  73  11.768 -14.547  -7.009
  561    HA3  GLY  73           HA3      GLY  73  11.693 -15.083  -5.321
  562    H    GLY  74           H        GLY  74  11.206 -17.212  -5.482
  563    HA2  GLY  74           HA2      GLY  74   8.548 -17.877  -6.585
  564    HA3  GLY  74           HA3      GLY  74   9.917 -18.959  -6.884
  565    H    LEU  75           H        LEU  75   7.551 -19.593  -5.436
  566    HA   LEU  75           HA       LEU  75   7.467 -19.113  -2.738
  567    HB2  LEU  75           HB2      LEU  75   5.704 -20.176  -4.180
  568    HB3  LEU  75           HB3      LEU  75   6.662 -21.651  -4.240
  569    HG   LEU  75           HG       LEU  75   6.383 -21.907  -1.750
  570   HD11  LEU  75          HD11      LEU  75   4.432 -19.587  -2.090
  571   HD12  LEU  75          HD12      LEU  75   4.596 -20.578  -0.636
  572   HD13  LEU  75          HD13      LEU  75   5.931 -19.528  -1.140
  573   HD21  LEU  75          HD21      LEU  75   4.036 -22.604  -1.888
  574   HD22  LEU  75          HD22      LEU  75   3.814 -21.642  -3.360
  575   HD23  LEU  75          HD23      LEU  75   4.904 -23.051  -3.360
  576    H    LYS  76           H        LYS  76   9.392 -21.604  -4.378
  577    HA   LYS  76           HA       LYS  76  10.051 -23.158  -2.097
  578    HB2  LYS  76           HB2      LYS  76  11.536 -22.709  -4.726
  579    HB3  LYS  76           HB3      LYS  76  11.965 -23.947  -3.539
  580    HG2  LYS  76           HG2      LYS  76   9.766 -25.026  -3.793
  581    HG3  LYS  76           HG3      LYS  76   9.245 -23.768  -4.915
  582    HD2  LYS  76           HD2      LYS  76   9.850 -25.718  -6.175
  583    HD3  LYS  76           HD3      LYS  76  11.019 -24.433  -6.513
  584    HE2  LYS  76           HE2      LYS  76  12.631 -25.486  -4.938
  585    HE3  LYS  76           HE3      LYS  76  11.443 -26.736  -4.546
  586    HZ1  LYS  76           HZ1      LYS  76  11.557 -27.475  -6.854
  587    HZ2  LYS  76           HZ2      LYS  76  12.653 -26.316  -7.220
  588    HZ3  LYS  76           HZ3      LYS  76  13.037 -27.509  -6.180
  589    H    ASP  77           H        ASP  77  11.163 -19.972  -2.885
  590    HA   ASP  77           HA       ASP  77  13.454 -20.260  -0.975
  591    HB2  ASP  77           HB2      ASP  77  14.146 -20.030  -3.331
  592    HB3  ASP  77           HB3      ASP  77  13.204 -18.544  -3.468
  593    H    ILE  78           H        ILE  78  10.459 -18.661  -1.581
  594    HA   ILE  78           HA       ILE  78  11.108 -16.094  -0.460
  595    HB   ILE  78           HB       ILE  78   8.531 -17.543  -1.115
  596   HG12  ILE  78          HG12      ILE  78   9.807 -14.959  -2.149
  597   HG13  ILE  78          HG13      ILE  78  10.068 -16.534  -2.878
  598   HG21  ILE  78          HG21      ILE  78   8.730 -14.740   0.089
  599   HG22  ILE  78          HG22      ILE  78   7.260 -15.491  -0.570
  600   HG23  ILE  78          HG23      ILE  78   8.004 -16.170   0.860
  601   HD11  ILE  78          HD11      ILE  78   8.448 -15.356  -4.155
  602   HD12  ILE  78          HD12      ILE  78   7.637 -16.725  -3.360
  603   HD13  ILE  78          HD13      ILE  78   7.416 -15.066  -2.751
  604    H    ALA  79           H        ALA  79  11.419 -15.521   1.552
  605    HA   ALA  79           HA       ALA  79  11.059 -17.401   3.760
  606    HB1  ALA  79           HB1      ALA  79  12.310 -14.620   3.641
  607    HB2  ALA  79           HB2      ALA  79  12.379 -15.746   5.015
  608    HB3  ALA  79           HB3      ALA  79  13.174 -16.169   3.489
  609    H    MET  80           H        MET  80   8.598 -17.103   3.118
  610    HA   MET  80           HA       MET  80   7.402 -15.206   5.077
  611    HB2  MET  80           HB2      MET  80   6.345 -15.861   2.289
  612    HB3  MET  80           HB3      MET  80   5.420 -15.035   3.518
  613    HG2  MET  80           HG2      MET  80   8.039 -13.979   2.403
  614    HG3  MET  80           HG3      MET  80   6.451 -13.543   1.788
  615    HE1  MET  80           HE1      MET  80   4.888 -11.282   4.465
  616    HE2  MET  80           HE2      MET  80   4.822 -11.897   2.800
  617    HE3  MET  80           HE3      MET  80   4.540 -12.997   4.170
  618    HA   PRO  81           HA       PRO  81   5.351 -18.976   6.388
  619    HB2  PRO  81           HB2      PRO  81   2.894 -18.067   7.255
  620    HB3  PRO  81           HB3      PRO  81   4.420 -17.854   8.165
  621    HG2  PRO  81           HG2      PRO  81   3.062 -15.877   6.316
  622    HG3  PRO  81           HG3      PRO  81   3.722 -15.586   7.958
  623    HD2  PRO  81           HD2      PRO  81   5.125 -14.956   5.729
  624    HD3  PRO  81           HD3      PRO  81   5.950 -15.636   7.160
  625    H    LYS  82           H        LYS  82   3.597 -20.433   5.750
  626    HA   LYS  82           HA       LYS  82   2.397 -19.794   3.110
  627    HB2  LYS  82           HB2      LYS  82   4.109 -22.242   3.733
  628    HB3  LYS  82           HB3      LYS  82   3.260 -21.925   2.216
  629    HG2  LYS  82           HG2      LYS  82   4.656 -19.916   1.829
  630    HG3  LYS  82           HG3      LYS  82   5.483 -20.203   3.368
  631    HD2  LYS  82           HD2      LYS  82   6.328 -22.384   2.527
  632    HD3  LYS  82           HD3      LYS  82   5.562 -22.050   0.970
  633    HE2  LYS  82           HE2      LYS  82   7.892 -21.446   0.787
  634    HE3  LYS  82           HE3      LYS  82   6.932 -19.970   0.751
  635    HZ1  LYS  82           HZ1      LYS  82   7.495 -19.645   3.120
  636    HZ2  LYS  82           HZ2      LYS  82   8.441 -20.994   3.088
  637    HZ3  LYS  82           HZ3      LYS  82   8.824 -19.692   2.168
  638    H    VAL  83           H        VAL  83   0.746 -21.298   2.477
  639    HA   VAL  83           HA       VAL  83  -0.499 -22.946   4.598
  640    HB   VAL  83           HB       VAL  83  -1.853 -20.684   3.053
  641   HG11  VAL  83          HG11      VAL  83  -3.858 -21.177   4.468
  642   HG12  VAL  83          HG12      VAL  83  -3.486 -22.477   3.352
  643   HG13  VAL  83          HG13      VAL  83  -3.048 -22.636   5.075
  644   HG21  VAL  83          HG21      VAL  83  -1.270 -20.937   6.030
  645   HG22  VAL  83          HG22      VAL  83  -0.575 -19.748   4.907
  646   HG23  VAL  83          HG23      VAL  83  -2.289 -19.684   5.292
  647    H    LYS  84           H        LYS  84  -2.207 -24.375   3.534
  648    HA   LYS  84           HA       LYS  84  -1.975 -24.822   0.662
  649    HB2  LYS  84           HB2      LYS  84  -1.234 -27.162   0.935
  650    HB3  LYS  84           HB3      LYS  84   0.004 -25.982   1.373
  651    HG2  LYS  84           HG2      LYS  84  -0.409 -26.408   3.773
  652    HG3  LYS  84           HG3      LYS  84  -1.727 -27.512   3.365
  653    HD2  LYS  84           HD2      LYS  84   0.309 -28.768   3.922
  654    HD3  LYS  84           HD3      LYS  84  -0.185 -29.041   2.255
  655    HE2  LYS  84           HE2      LYS  84   2.211 -28.819   2.286
  656    HE3  LYS  84           HE3      LYS  84   1.533 -27.416   1.469
  657    HZ1  LYS  84           HZ1      LYS  84   3.186 -26.633   2.927
  658    HZ2  LYS  84           HZ2      LYS  84   1.791 -26.241   3.673
  659    HZ3  LYS  84           HZ3      LYS  84   2.656 -27.528   4.203
  660    H    GLY  85           H        GLY  85  -3.407 -26.818   0.095
  661    HA2  GLY  85           HA2      GLY  85  -5.291 -27.799   2.033
  662    HA3  GLY  85           HA3      GLY  85  -6.006 -26.513   1.045
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1   1.075   1.510   1.292
    2    H2   ALA   1           H2       ALA   1   1.189  -0.119   1.421
    3    H3   ALA   1           H3       ALA   1   2.519   0.763   1.062
    4    HA   ALA   1           HA       ALA   1   0.152   0.464  -0.660
    5    HB1  ALA   1           HB1      ALA   1   1.172   2.689  -0.923
    6    HB2  ALA   1           HB2      ALA   1   2.763   1.950  -1.211
    7    HB3  ALA   1           HB3      ALA   1   1.439   1.697  -2.361
    8    H    GLU   2           H        GLU   2   0.356  -1.920  -0.376
    9    HA   GLU   2           HA       GLU   2   2.415  -3.149  -2.059
   10    HB2  GLU   2           HB2      GLU   2   3.531  -2.950   0.136
   11    HB3  GLU   2           HB3      GLU   2   2.149  -3.718   0.927
   12    HG2  GLU   2           HG2      GLU   2   2.605  -5.799  -0.425
   13    HG3  GLU   2           HG3      GLU   2   4.030  -5.000  -1.096
   14    H    HIS   3           H        HIS   3   1.655  -5.108  -2.849
   15    HA   HIS   3           HA       HIS   3  -0.580  -6.538  -1.592
   16    HB2  HIS   3           HB2      HIS   3  -0.470  -5.887  -4.576
   17    HB3  HIS   3           HB3      HIS   3  -1.605  -6.988  -3.807
   18    HD1  HIS   3           HD1      HIS   3  -2.930  -5.318  -1.563
   19    HD2  HIS   3           HD2      HIS   3  -1.762  -3.831  -5.319
   20    HE1  HIS   3           HE1      HIS   3  -4.367  -3.263  -1.990
   21    H    TRP   4           H        TRP   4  -0.572  -8.823  -2.556
   22    HA   TRP   4           HA       TRP   4   2.061  -9.559  -3.726
   23    HB2  TRP   4           HB2      TRP   4   0.559 -10.860  -1.428
   24    HB3  TRP   4           HB3      TRP   4   1.785 -11.702  -2.365
   25    HD1  TRP   4           HD1      TRP   4   1.570  -8.490  -0.207
   26    HE1  TRP   4           HE1      TRP   4   3.747  -8.153   1.044
   27    HE3  TRP   4           HE3      TRP   4   4.170 -12.497  -2.104
   28    HZ2  TRP   4           HZ2      TRP   4   6.301  -9.550   1.306
   29    HZ3  TRP   4           HZ3      TRP   4   6.436 -13.002  -1.267
   30    HH2  TRP   4           HH2      TRP   4   7.523 -11.533   0.419
   31    H    ILE   5           H        ILE   5   1.804 -10.848  -5.491
   32    HA   ILE   5           HA       ILE   5  -0.907 -11.940  -6.079
   33    HB   ILE   5           HB       ILE   5   0.826 -10.299  -7.965
   34   HG12  ILE   5          HG12      ILE   5  -0.293  -8.813  -6.356
   35   HG13  ILE   5          HG13      ILE   5  -0.892  -8.616  -7.996
   36   HG21  ILE   5          HG21      ILE   5  -1.830 -11.725  -8.363
   37   HG22  ILE   5          HG22      ILE   5  -1.190 -10.497  -9.478
   38   HG23  ILE   5          HG23      ILE   5  -0.309 -12.009  -9.220
   39   HD11  ILE   5          HD11      ILE   5  -2.946  -9.838  -7.428
   40   HD12  ILE   5          HD12      ILE   5  -2.343 -10.088  -5.780
   41   HD13  ILE   5          HD13      ILE   5  -2.686  -8.452  -6.357
   42    H    ASP   6           H        ASP   6  -0.579 -14.033  -6.115
   43    HA   ASP   6           HA       ASP   6   1.889 -15.333  -7.005
   44    HB2  ASP   6           HB2      ASP   6   0.469 -16.391  -5.301
   45    HB3  ASP   6           HB3      ASP   6  -0.920 -16.319  -6.377
   46    H    VAL   7           H        VAL   7   2.296 -15.634  -9.173
   47    HA   VAL   7           HA       VAL   7   0.068 -15.348 -11.115
   48    HB   VAL   7           HB       VAL   7   1.731 -14.704 -12.757
   49   HG11  VAL   7          HG11      VAL   7   0.628 -12.975 -11.388
   50   HG12  VAL   7          HG12      VAL   7   1.988 -13.005 -10.246
   51   HG13  VAL   7          HG13      VAL   7   2.242 -12.487 -11.924
   52   HG21  VAL   7          HG21      VAL   7   3.700 -15.963 -11.718
   53   HG22  VAL   7          HG22      VAL   7   4.036 -14.347 -12.318
   54   HG23  VAL   7          HG23      VAL   7   3.848 -14.601 -10.580
   55    H    ARG   8           H        ARG   8   0.813 -17.787  -9.574
   56    HA   ARG   8           HA       ARG   8   2.190 -19.553 -11.471
   57    HB2  ARG   8           HB2      ARG   8   2.294 -19.272  -8.797
   58    HB3  ARG   8           HB3      ARG   8   0.887 -20.362  -8.862
   59    HG2  ARG   8           HG2      ARG   8   2.451 -21.962 -10.160
   60    HG3  ARG   8           HG3      ARG   8   3.736 -20.829  -9.751
   61    HD2  ARG   8           HD2      ARG   8   2.204 -22.717  -8.030
   62    HD3  ARG   8           HD3      ARG   8   3.922 -22.344  -7.969
   63    HE   ARG   8           HE       ARG   8   2.502 -20.039  -7.095
   64   HH11  ARG   8          HH11      ARG   8   2.841 -23.404  -5.889
   65   HH12  ARG   8          HH12      ARG   8   1.895 -23.036  -4.470
   66   HH21  ARG   8          HH21      ARG   8   1.519 -19.625  -5.245
   67   HH22  ARG   8          HH22      ARG   8   1.228 -20.908  -4.034
   68    H    VAL   9           H        VAL   9   1.169 -21.741 -11.853
   69    HA   VAL   9           HA       VAL   9  -1.477 -21.494 -12.855
   70    HB   VAL   9           HB       VAL   9  -1.376 -23.984 -13.108
   71   HG11  VAL   9          HG11      VAL   9   1.051 -22.473 -14.177
   72   HG12  VAL   9          HG12      VAL   9   0.332 -23.946 -14.856
   73   HG13  VAL   9          HG13      VAL   9  -0.586 -22.434 -14.866
   74   HG21  VAL   9          HG21      VAL   9   0.099 -24.572 -11.207
   75   HG22  VAL   9          HG22      VAL   9   0.728 -25.178 -12.739
   76   HG23  VAL   9          HG23      VAL   9   1.464 -23.749 -11.994
   77    HA   PRO  10           HA       PRO  10  -3.533 -21.544  -9.074
   78    HB2  PRO  10           HB2      PRO  10  -6.109 -22.202  -9.706
   79    HB3  PRO  10           HB3      PRO  10  -5.300 -20.697 -10.267
   80    HG2  PRO  10           HG2      PRO  10  -5.581 -23.296 -11.798
   81    HG3  PRO  10           HG3      PRO  10  -6.007 -21.636 -12.337
   82    HD2  PRO  10           HD2      PRO  10  -3.613 -22.735 -12.973
   83    HD3  PRO  10           HD3      PRO  10  -3.730 -21.008 -12.513
   84    H    GLU  11           H        GLU  11  -3.527 -24.619 -10.825
   85    HA   GLU  11           HA       GLU  11  -4.542 -26.299  -8.760
   86    HB2  GLU  11           HB2      GLU  11  -4.232 -26.910 -11.151
   87    HB3  GLU  11           HB3      GLU  11  -2.478 -26.890 -10.927
   88    HG2  GLU  11           HG2      GLU  11  -2.649 -28.741  -9.300
   89    HG3  GLU  11           HG3      GLU  11  -4.411 -28.697  -9.404
   90    H    GLN  12           H        GLN  12  -1.319 -24.829  -9.262
   91    HA   GLN  12           HA       GLN  12  -0.136 -26.417  -7.063
   92    HB2  GLN  12           HB2      GLN  12   0.924 -24.223  -8.870
   93    HB3  GLN  12           HB3      GLN  12   1.828 -24.904  -7.501
   94    HG2  GLN  12           HG2      GLN  12   1.731 -27.148  -8.526
   95    HG3  GLN  12           HG3      GLN  12   0.827 -26.493  -9.894
   96   HE21  GLN  12          HE22      GLN  12   2.575 -27.215 -11.343
   97   HE22  GLN  12          HE21      GLN  12   4.063 -26.309 -11.434
   98    H    TYR  13           H        TYR  13  -1.455 -23.122  -7.631
   99    HA   TYR  13           HA       TYR  13  -0.656 -21.956  -5.181
  100    HB2  TYR  13           HB2      TYR  13  -1.718 -20.728  -7.037
  101    HB3  TYR  13           HB3      TYR  13  -3.229 -21.583  -6.759
  102    HD1  TYR  13           HD1      TYR  13  -0.839 -19.160  -5.253
  103    HD2  TYR  13           HD2      TYR  13  -4.803 -20.838  -5.096
  104    HE1  TYR  13           HE1      TYR  13  -1.538 -17.323  -3.749
  105    HE2  TYR  13           HE2      TYR  13  -5.510 -19.030  -3.558
  106    HH   TYR  13           HH       TYR  13  -3.286 -16.419  -2.483
  107    H    GLN  14           H        GLN  14  -3.514 -24.019  -5.913
  108    HA   GLN  14           HA       GLN  14  -4.586 -23.984  -3.266
  109    HB2  GLN  14           HB2      GLN  14  -4.766 -25.977  -5.559
  110    HB3  GLN  14           HB3      GLN  14  -5.687 -26.157  -4.060
  111    HG2  GLN  14           HG2      GLN  14  -6.919 -24.144  -4.417
  112    HG3  GLN  14           HG3      GLN  14  -5.842 -23.594  -5.696
  113   HE21  GLN  14          HE22      GLN  14  -5.950 -24.530  -7.781
  114   HE22  GLN  14          HE21      GLN  14  -7.349 -25.462  -8.304
  115    H    GLN  15           H        GLN  15  -1.840 -25.809  -4.584
  116    HA   GLN  15           HA       GLN  15  -1.862 -27.730  -2.391
  117    HB2  GLN  15           HB2      GLN  15   0.125 -27.153  -4.617
  118    HB3  GLN  15           HB3      GLN  15   0.386 -28.373  -3.368
  119    HG2  GLN  15           HG2      GLN  15  -1.552 -29.636  -4.037
  120    HG3  GLN  15           HG3      GLN  15  -2.115 -28.359  -5.106
  121   HE21  GLN  15          HE22      GLN  15  -1.513 -28.417  -7.226
  122   HE22  GLN  15          HE21      GLN  15  -0.293 -29.498  -7.892
  123    H    GLU  16           H        GLU  16  -0.129 -24.686  -3.152
  124    HA   GLU  16           HA       GLU  16   0.352 -24.328  -0.311
  125    HB2  GLU  16           HB2      GLU  16   2.334 -25.736  -1.203
  126    HB3  GLU  16           HB3      GLU  16   2.823 -24.295  -2.105
  127    HG2  GLU  16           HG2      GLU  16   3.051 -23.037   0.011
  128    HG3  GLU  16           HG3      GLU  16   2.379 -24.374   0.916
  129    H    HIS  17           H        HIS  17   0.309 -22.125   0.159
  130    HA   HIS  17           HA       HIS  17   1.304 -20.213  -1.772
  131    HB2  HIS  17           HB2      HIS  17  -0.705 -18.775  -1.738
  132    HB3  HIS  17           HB3      HIS  17  -0.849 -20.251  -2.671
  133    HD1  HIS  17           HD1      HIS  17  -2.516 -22.140  -1.705
  134    HD2  HIS  17           HD2      HIS  17  -2.692 -18.269  -0.113
  135    HE1  HIS  17           HE1      HIS  17  -4.766 -21.965  -0.511
  136    H    VAL  18           H        VAL  18   1.323 -17.991  -0.805
  137    HA   VAL  18           HA       VAL  18   2.268 -18.009   1.922
  138    HB   VAL  18           HB       VAL  18   1.450 -15.776   0.007
  139   HG11  VAL  18          HG11      VAL  18   1.312 -14.863   2.268
  140   HG12  VAL  18          HG12      VAL  18   2.903 -15.547   2.675
  141   HG13  VAL  18          HG13      VAL  18   2.759 -14.249   1.471
  142   HG21  VAL  18          HG21      VAL  18   3.411 -17.051  -0.770
  143   HG22  VAL  18          HG22      VAL  18   3.922 -15.460  -0.214
  144   HG23  VAL  18          HG23      VAL  18   4.182 -16.888   0.817
  145    H    GLN  19           H        GLN  19   1.143 -17.136   3.755
  146    HA   GLN  19           HA       GLN  19  -1.673 -17.813   3.852
  147    HB2  GLN  19           HB2      GLN  19   0.196 -18.222   5.593
  148    HB3  GLN  19           HB3      GLN  19  -0.041 -16.546   6.080
  149    HG2  GLN  19           HG2      GLN  19  -2.462 -17.091   6.520
  150    HG3  GLN  19           HG3      GLN  19  -2.143 -18.765   6.048
  151   HE21  GLN  19          HE22      GLN  19  -0.265 -19.891   7.342
  152   HE22  GLN  19          HE21      GLN  19  -0.213 -19.518   9.051
  153    H    GLY  20           H        GLY  20  -1.809 -16.021   2.022
  154    HA2  GLY  20           HA2      GLY  20  -3.384 -13.822   2.692
  155    HA3  GLY  20           HA3      GLY  20  -1.696 -13.260   2.668
  156    H    ALA  21           H        ALA  21  -1.937 -12.082   0.736
  157    HA   ALA  21           HA       ALA  21  -1.764 -11.652  -1.448
  158    HB1  ALA  21           HB1      ALA  21   0.114 -13.280  -1.141
  159    HB2  ALA  21           HB2      ALA  21  -0.951 -14.563  -1.753
  160    HB3  ALA  21           HB3      ALA  21  -0.507 -13.211  -2.802
  161    H    ILE  22           H        ILE  22  -2.242 -12.717  -3.786
  162    HA   ILE  22           HA       ILE  22  -5.024 -13.766  -3.890
  163    HB   ILE  22           HB       ILE  22  -3.925 -11.787  -5.895
  164   HG12  ILE  22          HG12      ILE  22  -3.751 -10.531  -3.747
  165   HG13  ILE  22          HG13      ILE  22  -4.842  -9.841  -4.918
  166   HG21  ILE  22          HG21      ILE  22  -6.332 -11.266  -6.276
  167   HG22  ILE  22          HG22      ILE  22  -5.901 -12.940  -6.607
  168   HG23  ILE  22          HG23      ILE  22  -6.760 -12.534  -5.107
  169   HD11  ILE  22          HD11      ILE  22  -5.703  -9.752  -2.579
  170   HD12  ILE  22          HD12      ILE  22  -6.803 -10.574  -3.695
  171   HD13  ILE  22          HD13      ILE  22  -5.811 -11.522  -2.570
  172    H    ASN  23           H        ASN  23  -5.306 -15.045  -5.915
  173    HA   ASN  23           HA       ASN  23  -2.757 -15.733  -7.329
  174    HB2  ASN  23           HB2      ASN  23  -3.550 -17.769  -6.427
  175    HB3  ASN  23           HB3      ASN  23  -5.223 -17.427  -6.879
  176   HD21  ASN  23          HD22      ASN  23  -1.900 -18.091  -8.364
  177   HD22  ASN  23          HD21      ASN  23  -2.568 -18.716  -9.828
  178    H    ILE  24           H        ILE  24  -2.610 -14.864  -9.213
  179    HA   ILE  24           HA       ILE  24  -4.973 -14.583 -10.934
  180    HB   ILE  24           HB       ILE  24  -3.021 -12.278 -10.716
  181   HG12  ILE  24          HG12      ILE  24  -5.658 -12.443  -9.255
  182   HG13  ILE  24          HG13      ILE  24  -4.044 -12.272  -8.558
  183   HG21  ILE  24          HG21      ILE  24  -4.242 -12.662 -12.802
  184   HG22  ILE  24          HG22      ILE  24  -5.772 -12.547 -11.922
  185   HG23  ILE  24          HG23      ILE  24  -4.702 -11.133 -12.044
  186   HD11  ILE  24          HD11      ILE  24  -3.823 -10.049  -9.689
  187   HD12  ILE  24          HD12      ILE  24  -5.530 -10.182 -10.170
  188   HD13  ILE  24          HD13      ILE  24  -5.103 -10.145  -8.459
  189    HA   PRO  25           HA       PRO  25  -1.313 -16.892 -12.418
  190    HB2  PRO  25           HB2      PRO  25  -2.455 -18.173 -14.584
  191    HB3  PRO  25           HB3      PRO  25  -2.655 -18.710 -12.885
  192    HG2  PRO  25           HG2      PRO  25  -4.558 -17.040 -14.513
  193    HG3  PRO  25           HG3      PRO  25  -4.913 -18.457 -13.477
  194    HD2  PRO  25           HD2      PRO  25  -5.259 -15.925 -12.568
  195    HD3  PRO  25           HD3      PRO  25  -4.626 -17.202 -11.492
  196    H    LEU  26           H        LEU  26   0.181 -16.561 -14.213
  197    HA   LEU  26           HA       LEU  26   0.427 -13.941 -14.849
  198    HB2  LEU  26           HB2      LEU  26   2.195 -15.654 -14.919
  199    HB3  LEU  26           HB3      LEU  26   1.555 -16.283 -16.433
  200    HG   LEU  26           HG       LEU  26   2.202 -14.279 -17.632
  201   HD11  LEU  26          HD11      LEU  26   1.801 -12.463 -16.127
  202   HD12  LEU  26          HD12      LEU  26   2.878 -13.145 -14.891
  203   HD13  LEU  26          HD13      LEU  26   3.537 -12.469 -16.400
  204   HD21  LEU  26          HD21      LEU  26   4.470 -15.062 -15.737
  205   HD22  LEU  26          HD22      LEU  26   3.951 -16.017 -17.144
  206   HD23  LEU  26          HD23      LEU  26   4.629 -14.400 -17.373
  207    H    LYS  27           H        LYS  27  -1.174 -16.285 -17.030
  208    HA   LYS  27           HA       LYS  27  -1.536 -14.492 -19.197
  209    HB2  LYS  27           HB2      LYS  27  -3.184 -16.067 -20.019
  210    HB3  LYS  27           HB3      LYS  27  -1.744 -16.905 -19.446
  211    HG2  LYS  27           HG2      LYS  27  -2.968 -17.425 -17.291
  212    HG3  LYS  27           HG3      LYS  27  -4.425 -16.709 -17.987
  213    HD2  LYS  27           HD2      LYS  27  -2.913 -19.101 -19.121
  214    HD3  LYS  27           HD3      LYS  27  -4.380 -19.179 -18.133
  215    HE2  LYS  27           HE2      LYS  27  -5.613 -17.873 -19.863
  216    HE3  LYS  27           HE3      LYS  27  -4.159 -17.839 -20.868
  217    HZ1  LYS  27           HZ1      LYS  27  -5.651 -19.605 -21.540
  218    HZ2  LYS  27           HZ2      LYS  27  -4.266 -20.261 -20.990
  219    HZ3  LYS  27           HZ3      LYS  27  -5.614 -20.291 -20.064
  220    H    GLU  28           H        GLU  28  -3.380 -14.872 -16.189
  221    HA   GLU  28           HA       GLU  28  -5.608 -13.187 -17.114
  222    HB2  GLU  28           HB2      GLU  28  -4.961 -14.803 -14.676
  223    HB3  GLU  28           HB3      GLU  28  -5.792 -13.290 -14.367
  224    HG2  GLU  28           HG2      GLU  28  -7.609 -13.851 -15.841
  225    HG3  GLU  28           HG3      GLU  28  -6.801 -15.351 -16.341
  226    H    VAL  29           H        VAL  29  -2.715 -12.949 -15.011
  227    HA   VAL  29           HA       VAL  29  -3.446 -10.593 -13.768
  228    HB   VAL  29           HB       VAL  29  -1.423 -12.265 -13.468
  229   HG11  VAL  29          HG11      VAL  29   0.099  -9.882 -14.570
  230   HG12  VAL  29          HG12      VAL  29   0.762 -11.360 -13.848
  231   HG13  VAL  29          HG13      VAL  29  -0.089 -11.434 -15.396
  232   HG21  VAL  29          HG21      VAL  29  -0.519 -10.823 -11.749
  233   HG22  VAL  29          HG22      VAL  29  -1.179  -9.378 -12.536
  234   HG23  VAL  29          HG23      VAL  29  -2.268 -10.567 -11.800
  235    H    LYS  30           H        LYS  30  -1.883 -10.921 -16.863
  236    HA   LYS  30           HA       LYS  30  -1.378  -8.175 -17.282
  237    HB2  LYS  30           HB2      LYS  30  -0.837 -10.623 -18.567
  238    HB3  LYS  30           HB3      LYS  30  -1.874  -9.835 -19.731
  239    HG2  LYS  30           HG2      LYS  30   0.535  -8.487 -18.425
  240    HG3  LYS  30           HG3      LYS  30   0.700  -9.489 -19.867
  241    HD2  LYS  30           HD2      LYS  30  -0.866  -6.886 -19.676
  242    HD3  LYS  30           HD3      LYS  30   0.712  -7.117 -20.425
  243    HE2  LYS  30           HE2      LYS  30  -0.282  -8.690 -22.066
  244    HE3  LYS  30           HE3      LYS  30  -1.874  -8.462 -21.324
  245    HZ1  LYS  30           HZ1      LYS  30  -1.773  -6.129 -21.950
  246    HZ2  LYS  30           HZ2      LYS  30  -0.300  -6.327 -22.640
  247    HZ3  LYS  30           HZ3      LYS  30  -1.604  -7.069 -23.269
  248    H    GLU  31           H        GLU  31  -4.400  -9.400 -16.930
  249    HA   GLU  31           HA       GLU  31  -5.474  -6.908 -18.143
  250    HB2  GLU  31           HB2      GLU  31  -6.773  -9.664 -18.261
  251    HB3  GLU  31           HB3      GLU  31  -7.610  -8.141 -18.591
  252    HG2  GLU  31           HG2      GLU  31  -5.983  -7.677 -20.437
  253    HG3  GLU  31           HG3      GLU  31  -5.248  -9.259 -20.161
  254    H    ARG  32           H        ARG  32  -5.969  -9.613 -15.863
  255    HA   ARG  32           HA       ARG  32  -8.004  -8.324 -14.384
  256    HB2  ARG  32           HB2      ARG  32  -7.787 -10.729 -14.538
  257    HB3  ARG  32           HB3      ARG  32  -6.242 -10.696 -13.681
  258    HG2  ARG  32           HG2      ARG  32  -7.263 -10.073 -11.632
  259    HG3  ARG  32           HG3      ARG  32  -8.792  -9.625 -12.408
  260    HD2  ARG  32           HD2      ARG  32  -9.428 -11.878 -12.755
  261    HD3  ARG  32           HD3      ARG  32  -7.781 -12.467 -12.581
  262    HE   ARG  32           HE       ARG  32  -9.294 -11.277 -10.298
  263   HH11  ARG  32          HH21      ARG  32  -7.647 -14.206 -11.573
  264   HH12  ARG  32          HH22      ARG  32  -7.165 -14.726  -9.971
  265   HH21  ARG  32          HH11      ARG  32  -8.887 -12.200  -8.237
  266   HH22  ARG  32          HH12      ARG  32  -8.051 -13.705  -8.107
  267    H    ILE  33           H        ILE  33  -4.486  -7.966 -14.085
  268    HA   ILE  33           HA       ILE  33  -4.496  -7.030 -11.393
  269    HB   ILE  33           HB       ILE  33  -2.430  -7.496 -12.773
  270   HG12  ILE  33          HG12      ILE  33  -1.126  -5.472 -11.788
  271   HG13  ILE  33          HG13      ILE  33  -2.656  -4.963 -11.094
  272   HG21  ILE  33          HG21      ILE  33  -1.483  -5.818 -14.192
  273   HG22  ILE  33          HG22      ILE  33  -3.125  -6.109 -14.773
  274   HG23  ILE  33          HG23      ILE  33  -2.769  -4.667 -13.817
  275   HD11  ILE  33          HD11      ILE  33  -1.341  -6.286  -9.499
  276   HD12  ILE  33          HD12      ILE  33  -2.826  -7.165  -9.910
  277   HD13  ILE  33          HD13      ILE  33  -1.273  -7.647 -10.630
  278    H    ALA  34           H        ALA  34  -5.437  -5.437 -14.457
  279    HA   ALA  34           HA       ALA  34  -5.634  -2.828 -13.397
  280    HB1  ALA  34           HB1      ALA  34  -5.722  -3.423 -15.832
  281    HB2  ALA  34           HB2      ALA  34  -7.358  -4.085 -15.578
  282    HB3  ALA  34           HB3      ALA  34  -7.052  -2.354 -15.341
  283    H    THR  35           H        THR  35  -7.658  -5.547 -12.672
  284    HA   THR  35           HA       THR  35  -9.799  -3.773 -11.593
  285    HB   THR  35           HB       THR  35  -9.798  -6.784 -12.047
  286    HG1  THR  35           HG1      THR  35  -9.658  -5.578 -13.993
  287   HG21  THR  35          HG21      THR  35 -11.485  -6.100 -10.393
  288   HG22  THR  35          HG22      THR  35 -12.076  -4.827 -11.484
  289   HG23  THR  35          HG23      THR  35 -12.271  -6.544 -11.913
  290    H    ALA  36           H        ALA  36  -7.308  -6.162 -10.752
  291    HA   ALA  36           HA       ALA  36  -8.173  -6.421  -7.982
  292    HB1  ALA  36           HB1      ALA  36  -5.557  -7.217  -9.338
  293    HB2  ALA  36           HB2      ALA  36  -6.109  -7.738  -7.734
  294    HB3  ALA  36           HB3      ALA  36  -7.004  -8.241  -9.182
  295    H    VAL  37           H        VAL  37  -5.839  -4.450  -9.744
  296    HA   VAL  37           HA       VAL  37  -5.213  -2.822  -7.363
  297    HB   VAL  37           HB       VAL  37  -3.076  -3.847  -9.271
  298   HG11  VAL  37          HG11      VAL  37  -1.546  -2.967  -7.544
  299   HG12  VAL  37          HG12      VAL  37  -2.601  -1.704  -8.169
  300   HG13  VAL  37          HG13      VAL  37  -2.953  -2.406  -6.595
  301   HG21  VAL  37          HG21      VAL  37  -3.760  -5.822  -8.097
  302   HG22  VAL  37          HG22      VAL  37  -2.240  -5.263  -7.414
  303   HG23  VAL  37          HG23      VAL  37  -3.762  -4.966  -6.537
  304    HA   PRO  38           HA       PRO  38  -6.330  -0.574 -11.295
  305    HB2  PRO  38           HB2      PRO  38  -8.092   1.253 -10.207
  306    HB3  PRO  38           HB3      PRO  38  -8.559  -0.382 -10.759
  307    HG2  PRO  38           HG2      PRO  38  -7.919   0.521  -7.940
  308    HG3  PRO  38           HG3      PRO  38  -9.296  -0.481  -8.500
  309    HD2  PRO  38           HD2      PRO  38  -7.052  -1.593  -7.417
  310    HD3  PRO  38           HD3      PRO  38  -7.915  -2.385  -8.768
  311    H    ASP  39           H        ASP  39  -5.304   0.502  -8.056
  312    HA   ASP  39           HA       ASP  39  -4.205   3.040  -9.069
  313    HB2  ASP  39           HB2      ASP  39  -5.175   3.029  -6.847
  314    HB3  ASP  39           HB3      ASP  39  -4.078   1.743  -6.330
  315    H    LYS  40           H        LYS  40  -2.553   2.687 -10.426
  316    HA   LYS  40           HA       LYS  40  -0.734   0.549 -10.408
  317    HB2  LYS  40           HB2      LYS  40  -0.594   3.349 -11.593
  318    HB3  LYS  40           HB3      LYS  40   0.632   2.128 -11.905
  319    HG2  LYS  40           HG2      LYS  40  -1.078   0.589 -12.821
  320    HG3  LYS  40           HG3      LYS  40  -2.334   1.808 -12.537
  321    HD2  LYS  40           HD2      LYS  40  -1.102   3.385 -14.041
  322    HD3  LYS  40           HD3      LYS  40   0.059   2.106 -14.411
  323    HE2  LYS  40           HE2      LYS  40  -2.950   1.963 -14.919
  324    HE3  LYS  40           HE3      LYS  40  -1.747   2.412 -16.130
  325    HZ1  LYS  40           HZ1      LYS  40  -1.862  -0.219 -14.779
  326    HZ2  LYS  40           HZ2      LYS  40  -2.349   0.094 -16.308
  327    HZ3  LYS  40           HZ3      LYS  40  -0.765   0.221 -15.931
  328    H    ASN  41           H        ASN  41  -0.755   3.168  -8.156
  329    HA   ASN  41           HA       ASN  41   2.110   3.331  -7.763
  330    HB2  ASN  41           HB2      ASN  41   0.509   5.163  -7.196
  331    HB3  ASN  41           HB3      ASN  41  -0.179   4.138  -5.932
  332   HD21  ASN  41          HD21      ASN  41   0.678   4.470  -3.883
  333   HD22  ASN  41          HD22      ASN  41   2.259   5.134  -3.572
  334    H    ASP  42           H        ASP  42  -0.348   1.056  -6.623
  335    HA   ASP  42           HA       ASP  42   0.943   0.434  -4.108
  336    HB2  ASP  42           HB2      ASP  42  -1.280  -0.743  -5.737
  337    HB3  ASP  42           HB3      ASP  42  -0.440  -1.820  -4.625
  338    H    THR  43           H        THR  43   2.617  -0.927  -3.657
  339    HA   THR  43           HA       THR  43   4.293  -1.920  -5.735
  340    HB   THR  43           HB       THR  43   4.288  -2.635  -2.774
  341    HG1  THR  43           HG1      THR  43   4.487  -0.566  -2.719
  342   HG21  THR  43          HG21      THR  43   6.709  -2.971  -3.092
  343   HG22  THR  43          HG22      THR  43   5.721  -4.112  -4.006
  344   HG23  THR  43          HG23      THR  43   6.504  -2.752  -4.850
  345    H    VAL  44           H        VAL  44   3.415  -3.498  -7.095
  346    HA   VAL  44           HA       VAL  44   1.992  -5.764  -5.888
  347    HB   VAL  44           HB       VAL  44   3.022  -5.590  -8.757
  348   HG11  VAL  44          HG11      VAL  44   2.203  -7.799  -7.902
  349   HG12  VAL  44          HG12      VAL  44   0.692  -7.016  -7.404
  350   HG13  VAL  44          HG13      VAL  44   1.104  -7.142  -9.125
  351   HG21  VAL  44          HG21      VAL  44   0.396  -4.497  -7.647
  352   HG22  VAL  44          HG22      VAL  44   1.679  -3.565  -8.449
  353   HG23  VAL  44          HG23      VAL  44   0.751  -4.744  -9.372
  354    H    LYS  45           H        LYS  45   3.068  -7.357  -4.851
  355    HA   LYS  45           HA       LYS  45   5.880  -7.935  -5.604
  356    HB2  LYS  45           HB2      LYS  45   4.295  -8.740  -3.130
  357    HB3  LYS  45           HB3      LYS  45   5.987  -9.145  -3.483
  358    HG2  LYS  45           HG2      LYS  45   6.370  -6.622  -3.785
  359    HG3  LYS  45           HG3      LYS  45   4.773  -6.381  -3.067
  360    HD2  LYS  45           HD2      LYS  45   5.491  -7.245  -0.958
  361    HD3  LYS  45           HD3      LYS  45   6.950  -7.984  -1.652
  362    HE2  LYS  45           HE2      LYS  45   7.918  -5.808  -2.148
  363    HE3  LYS  45           HE3      LYS  45   6.444  -4.978  -1.630
  364    HZ1  LYS  45           HZ1      LYS  45   6.837  -5.590   0.592
  365    HZ2  LYS  45           HZ2      LYS  45   8.092  -6.605   0.214
  366    HZ3  LYS  45           HZ3      LYS  45   8.247  -4.989   0.039
  367    H    VAL  46           H        VAL  46   5.930  -9.317  -7.287
  368    HA   VAL  46           HA       VAL  46   3.757 -11.285  -7.551
  369    HB   VAL  46           HB       VAL  46   4.880 -11.779  -9.756
  370   HG11  VAL  46          HG11      VAL  46   2.881 -10.349  -9.524
  371   HG12  VAL  46          HG12      VAL  46   3.918  -8.927  -9.268
  372   HG13  VAL  46          HG13      VAL  46   3.938  -9.780 -10.824
  373   HG21  VAL  46          HG21      VAL  46   7.136 -10.812  -9.247
  374   HG22  VAL  46          HG22      VAL  46   6.392 -10.133 -10.701
  375   HG23  VAL  46          HG23      VAL  46   6.410  -9.186  -9.217
  376    H    TYR  47           H        TYR  47   3.984 -13.508  -7.448
  377    HA   TYR  47           HA       TYR  47   6.643 -14.677  -7.206
  378    HB2  TYR  47           HB2      TYR  47   6.418 -15.752  -5.189
  379    HB3  TYR  47           HB3      TYR  47   5.920 -14.109  -4.845
  380    HD1  TYR  47           HD2      TYR  47   3.494 -13.561  -4.479
  381    HD2  TYR  47           HD1      TYR  47   4.959 -17.612  -4.778
  382    HE1  TYR  47           HE2      TYR  47   1.529 -14.365  -3.213
  383    HE2  TYR  47           HE1      TYR  47   2.981 -18.417  -3.533
  384    HH   TYR  47           HH       TYR  47   0.428 -16.226  -2.321
  385    H    CYS  48           H        CYS  48   6.266 -17.272  -7.061
  386    HA   CYS  48           HA       CYS  48   4.092 -18.276  -8.568
  387    HB2  CYS  48           HB2      CYS  48   5.468 -16.841 -10.246
  388    HB3  CYS  48           HB3      CYS  48   6.719 -18.099 -10.093
  389    HG   CYS  48           HG       CYS  48   5.130 -18.156 -12.303
  390    H    ASN  49           H        ASN  49   5.687 -20.432  -9.744
  391    HA   ASN  49           HA       ASN  49   6.319 -22.060  -7.414
  392    HB2  ASN  49           HB2      ASN  49   5.454 -22.994  -9.579
  393    HB3  ASN  49           HB3      ASN  49   6.933 -22.497 -10.386
  394   HD21  ASN  49          HD22      ASN  49   5.417 -25.069  -8.765
  395   HD22  ASN  49          HD21      ASN  49   6.844 -26.025  -8.418
  396    H    ALA  50           H        ALA  50   8.188 -20.410  -9.972
  397    HA   ALA  50           HA       ALA  50  10.647 -20.401  -8.339
  398    HB1  ALA  50           HB1      ALA  50  10.786 -22.394  -9.805
  399    HB2  ALA  50           HB2      ALA  50  10.431 -21.384 -11.225
  400    HB3  ALA  50           HB3      ALA  50  11.939 -21.148 -10.314
  401    H    GLY  51           H        GLY  51  12.185 -18.811  -9.255
  402    HA2  GLY  51           HA2      GLY  51  10.914 -16.335  -9.430
  403    HA3  GLY  51           HA3      GLY  51  12.634 -16.638  -9.691
  404    H    ARG  52           H        ARG  52  11.727 -18.436 -12.158
  405    HA   ARG  52           HA       ARG  52  12.254 -16.369 -14.033
  406    HB2  ARG  52           HB2      ARG  52  11.929 -18.018 -15.776
  407    HB3  ARG  52           HB3      ARG  52  12.921 -18.640 -14.465
  408    HG2  ARG  52           HG2      ARG  52  10.914 -19.891 -13.587
  409    HG3  ARG  52           HG3      ARG  52  10.001 -19.364 -15.009
  410    HD2  ARG  52           HD2      ARG  52  12.578 -20.982 -15.084
  411    HD3  ARG  52           HD3      ARG  52  10.946 -21.661 -15.208
  412    HE   ARG  52           HE       ARG  52  11.036 -19.738 -17.194
  413   HH11  ARG  52          HH21      ARG  52  12.881 -22.679 -16.459
  414   HH12  ARG  52          HH22      ARG  52  13.275 -23.016 -18.103
  415   HH21  ARG  52          HH11      ARG  52  11.570 -20.177 -19.388
  416   HH22  ARG  52          HH12      ARG  52  12.505 -21.561 -19.803
  417    H    GLN  53           H        GLN  53   9.098 -17.949 -13.259
  418    HA   GLN  53           HA       GLN  53   7.792 -16.410 -15.356
  419    HB2  GLN  53           HB2      GLN  53   7.115 -18.677 -14.755
  420    HB3  GLN  53           HB3      GLN  53   6.624 -18.127 -13.146
  421    HG2  GLN  53           HG2      GLN  53   4.816 -16.804 -14.122
  422    HG3  GLN  53           HG3      GLN  53   5.437 -17.137 -15.749
  423   HE21  GLN  53          HE22      GLN  53   2.851 -18.027 -13.799
  424   HE22  GLN  53          HE21      GLN  53   2.638 -19.628 -14.435
  425    H    SER  54           H        SER  54   8.158 -16.072 -11.766
  426    HA   SER  54           HA       SER  54   6.375 -13.785 -11.679
  427    HB2  SER  54           HB2      SER  54   7.360 -13.480  -9.415
  428    HB3  SER  54           HB3      SER  54   6.712 -15.098  -9.703
  429    HG   SER  54           HG       SER  54   8.724 -15.322  -8.750
  430    H    GLY  55           H        GLY  55   9.851 -14.275 -12.389
  431    HA2  GLY  55           HA2      GLY  55  10.653 -11.553 -12.247
  432    HA3  GLY  55           HA3      GLY  55  11.415 -12.842 -13.205
  433    H    GLN  56           H        GLN  56   9.529 -13.582 -15.027
  434    HA   GLN  56           HA       GLN  56   9.332 -11.463 -16.915
  435    HB2  GLN  56           HB2      GLN  56   7.889 -14.111 -16.577
  436    HB3  GLN  56           HB3      GLN  56   7.496 -13.018 -17.905
  437    HG2  GLN  56           HG2      GLN  56  10.392 -13.815 -17.432
  438    HG3  GLN  56           HG3      GLN  56   9.284 -14.915 -18.242
  439   HE21  GLN  56          HE22      GLN  56  10.776 -11.584 -18.535
  440   HE22  GLN  56          HE21      GLN  56  10.478 -11.505 -20.252
  441    H    ALA  57           H        ALA  57   6.899 -12.638 -14.486
  442    HA   ALA  57           HA       ALA  57   4.919 -10.767 -15.171
  443    HB1  ALA  57           HB1      ALA  57   4.656 -12.687 -13.603
  444    HB2  ALA  57           HB2      ALA  57   5.497 -11.744 -12.355
  445    HB3  ALA  57           HB3      ALA  57   3.962 -11.159 -13.016
  446    H    LYS  58           H        LYS  58   7.780 -10.293 -12.988
  447    HA   LYS  58           HA       LYS  58   7.002  -7.765 -12.067
  448    HB2  LYS  58           HB2      LYS  58   8.777  -8.761 -10.944
  449    HB3  LYS  58           HB3      LYS  58   9.770  -8.921 -12.399
  450    HG2  LYS  58           HG2      LYS  58  10.251  -6.611 -12.511
  451    HG3  LYS  58           HG3      LYS  58   8.913  -6.167 -11.448
  452    HD2  LYS  58           HD2      LYS  58  10.017  -7.135  -9.534
  453    HD3  LYS  58           HD3      LYS  58  11.369  -7.712 -10.555
  454    HE2  LYS  58           HE2      LYS  58  11.723  -5.252 -11.198
  455    HE3  LYS  58           HE3      LYS  58  10.594  -4.833  -9.905
  456    HZ1  LYS  58           HZ1      LYS  58  13.174  -6.264  -9.570
  457    HZ2  LYS  58           HZ2      LYS  58  12.869  -4.729  -9.137
  458    HZ3  LYS  58           HZ3      LYS  58  12.151  -5.954  -8.328
  459    H    GLU  59           H        GLU  59   8.778  -8.746 -15.012
  460    HA   GLU  59           HA       GLU  59   9.446  -6.085 -15.899
  461    HB2  GLU  59           HB2      GLU  59   9.225  -8.748 -17.383
  462    HB3  GLU  59           HB3      GLU  59   9.867  -7.266 -18.090
  463    HG2  GLU  59           HG2      GLU  59  11.700  -7.210 -16.496
  464    HG3  GLU  59           HG3      GLU  59  11.056  -8.588 -15.614
  465    H    ILE  60           H        ILE  60   6.880  -8.426 -16.715
  466    HA   ILE  60           HA       ILE  60   5.532  -6.917 -18.667
  467    HB   ILE  60           HB       ILE  60   4.834  -9.189 -16.795
  468   HG12  ILE  60          HG12      ILE  60   5.004  -9.066 -19.844
  469   HG13  ILE  60          HG13      ILE  60   6.385  -9.437 -18.823
  470   HG21  ILE  60          HG21      ILE  60   2.713  -8.048 -17.065
  471   HG22  ILE  60          HG22      ILE  60   2.929  -8.011 -18.835
  472   HG23  ILE  60          HG23      ILE  60   2.713  -9.553 -17.964
  473   HD11  ILE  60          HD11      ILE  60   5.493 -11.505 -19.636
  474   HD12  ILE  60          HD12      ILE  60   5.157 -11.417 -17.898
  475   HD13  ILE  60          HD13      ILE  60   3.860 -11.114 -19.081
  476    H    LEU  61           H        LEU  61   4.902  -7.051 -15.080
  477    HA   LEU  61           HA       LEU  61   2.741  -5.166 -15.308
  478    HB2  LEU  61           HB2      LEU  61   4.440  -5.990 -12.936
  479    HB3  LEU  61           HB3      LEU  61   3.049  -4.907 -12.831
  480    HG   LEU  61           HG       LEU  61   3.010  -7.844 -13.636
  481   HD11  LEU  61          HD11      LEU  61   3.220  -7.315 -11.213
  482   HD12  LEU  61          HD12      LEU  61   1.734  -6.346 -11.313
  483   HD13  LEU  61          HD13      LEU  61   1.680  -8.101 -11.601
  484   HD21  LEU  61          HD21      LEU  61   0.493  -7.566 -13.648
  485   HD22  LEU  61          HD22      LEU  61   0.766  -5.809 -13.718
  486   HD23  LEU  61          HD23      LEU  61   1.334  -6.875 -15.031
  487    H    SER  62           H        SER  62   6.259  -4.759 -14.888
  488    HA   SER  62           HA       SER  62   6.147  -1.947 -14.307
  489    HB2  SER  62           HB2      SER  62   8.348  -3.528 -15.700
  490    HB3  SER  62           HB3      SER  62   8.494  -1.930 -14.954
  491    HG   SER  62           HG       SER  62   7.971  -4.431 -13.705
  492    H    GLU  63           H        GLU  63   6.281  -3.812 -17.417
  493    HA   GLU  63           HA       GLU  63   6.262  -1.500 -19.084
  494    HB2  GLU  63           HB2      GLU  63   5.481  -4.401 -19.550
  495    HB3  GLU  63           HB3      GLU  63   5.395  -3.188 -20.820
  496    HG2  GLU  63           HG2      GLU  63   7.944  -3.859 -19.288
  497    HG3  GLU  63           HG3      GLU  63   7.488  -4.567 -20.830
  498    H    MET  64           H        MET  64   3.628  -3.331 -17.521
  499    HA   MET  64           HA       MET  64   1.489  -1.820 -18.770
  500    HB2  MET  64           HB2      MET  64   1.579  -3.452 -16.202
  501    HB3  MET  64           HB3      MET  64   0.126  -2.701 -16.852
  502    HG2  MET  64           HG2      MET  64   0.336  -4.025 -18.923
  503    HG3  MET  64           HG3      MET  64   1.788  -4.791 -18.287
  504    HE1  MET  64           HE1      MET  64  -2.563  -5.576 -16.957
  505    HE2  MET  64           HE2      MET  64  -1.856  -3.965 -16.718
  506    HE3  MET  64           HE3      MET  64  -2.039  -4.629 -18.361
  507    H    GLY  65           H        GLY  65   3.931  -0.670 -16.786
  508    HA2  GLY  65           HA2      GLY  65   4.168   1.503 -16.156
  509    HA3  GLY  65           HA3      GLY  65   2.451   1.799 -16.465
  510    H    TYR  66           H        TYR  66   3.116  -0.900 -14.313
  511    HA   TYR  66           HA       TYR  66   2.056   0.538 -12.001
  512    HB2  TYR  66           HB2      TYR  66   3.265  -2.219 -12.391
  513    HB3  TYR  66           HB3      TYR  66   2.897  -1.563 -10.800
  514    HD1  TYR  66           HD1      TYR  66   1.322  -2.421 -14.099
  515    HD2  TYR  66           HD2      TYR  66   0.697  -1.563  -9.919
  516    HE1  TYR  66           HE1      TYR  66  -1.104  -2.859 -14.378
  517    HE2  TYR  66           HE2      TYR  66  -1.721  -2.004 -10.200
  518    HH   TYR  66           HH       TYR  66  -3.431  -2.327 -11.676
  519    H    THR  67           H        THR  67   3.191   1.957 -10.822
  520    HA   THR  67           HA       THR  67   5.926   2.461 -11.616
  521    HB   THR  67           HB       THR  67   5.605   4.440 -10.079
  522    HG1  THR  67           HG1      THR  67   3.580   4.745  -9.216
  523   HG21  THR  67          HG21      THR  67   4.978   4.496 -12.518
  524   HG22  THR  67          HG22      THR  67   3.328   4.001 -12.075
  525   HG23  THR  67          HG23      THR  67   3.975   5.561 -11.520
  526    H    HIS  68           H        HIS  68   4.492   0.548  -9.169
  527    HA   HIS  68           HA       HIS  68   7.163   0.110  -7.969
  528    HB2  HIS  68           HB2      HIS  68   4.524   0.340  -6.460
  529    HB3  HIS  68           HB3      HIS  68   6.011  -0.343  -5.806
  530    HD1  HIS  68           HD1      HIS  68   7.558   1.326  -4.577
  531    HD2  HIS  68           HD2      HIS  68   4.725   3.107  -7.129
  532    HE1  HIS  68           HE1      HIS  68   7.722   3.834  -4.186
  533    H    VAL  69           H        VAL  69   7.669  -1.921  -8.518
  534    HA   VAL  69           HA       VAL  69   5.731  -4.078  -8.123
  535    HB   VAL  69           HB       VAL  69   7.418  -3.831 -10.664
  536   HG11  VAL  69          HG11      VAL  69   7.211  -6.175  -9.928
  537   HG12  VAL  69          HG12      VAL  69   5.447  -5.989  -9.772
  538   HG13  VAL  69          HG13      VAL  69   6.223  -5.885 -11.365
  539   HG21  VAL  69          HG21      VAL  69   5.291  -3.783 -11.912
  540   HG22  VAL  69          HG22      VAL  69   4.386  -3.704 -10.380
  541   HG23  VAL  69          HG23      VAL  69   5.458  -2.374 -10.877
  542    H    GLU  70           H        GLU  70   6.885  -5.928  -7.335
  543    HA   GLU  70           HA       GLU  70   9.796  -5.827  -7.449
  544    HB2  GLU  70           HB2      GLU  70   9.203  -4.663  -5.327
  545    HB3  GLU  70           HB3      GLU  70   8.298  -6.083  -4.809
  546    HG2  GLU  70           HG2      GLU  70  10.483  -5.952  -3.739
  547    HG3  GLU  70           HG3      GLU  70  10.347  -7.410  -4.715
  548    H    ASN  71           H        ASN  71  10.742  -7.927  -7.026
  549    HA   ASN  71           HA       ASN  71   8.843 -10.128  -7.748
  550    HB2  ASN  71           HB2      ASN  71  10.586  -9.667  -9.458
  551    HB3  ASN  71           HB3      ASN  71  11.852  -9.881  -8.236
  552   HD21  ASN  71          HD22      ASN  71   9.087 -11.488  -9.861
  553   HD22  ASN  71          HD21      ASN  71   9.633 -13.132  -9.521
  554    H    ALA  72           H        ALA  72   8.337 -11.332  -5.978
  555    HA   ALA  72           HA       ALA  72  10.044 -11.199  -3.629
  556    HB1  ALA  72           HB1      ALA  72   7.591 -11.324  -3.417
  557    HB2  ALA  72           HB2      ALA  72   7.606 -12.916  -4.211
  558    HB3  ALA  72           HB3      ALA  72   8.379 -12.708  -2.628
  559    H    GLY  73           H        GLY  73   9.452 -13.556  -6.247
  560    HA2  GLY  73           HA2      GLY  73  11.604 -14.860  -6.737
  561    HA3  GLY  73           HA3      GLY  73  11.450 -15.423  -5.065
  562    H    GLY  74           H        GLY  74  10.951 -17.541  -5.394
  563    HA2  GLY  74           HA2      GLY  74   8.275 -18.106  -6.542
  564    HA3  GLY  74           HA3      GLY  74   9.634 -19.208  -6.816
  565    H    LEU  75           H        LEU  75   7.187 -19.818  -5.361
  566    HA   LEU  75           HA       LEU  75   7.416 -19.331  -2.643
  567    HB2  LEU  75           HB2      LEU  75   5.367 -20.010  -4.017
  568    HB3  LEU  75           HB3      LEU  75   5.907 -21.684  -3.842
  569    HG   LEU  75           HG       LEU  75   5.741 -21.507  -1.400
  570   HD11  LEU  75          HD11      LEU  75   4.915 -18.622  -1.942
  571   HD12  LEU  75          HD12      LEU  75   4.495 -19.461  -0.438
  572   HD13  LEU  75          HD13      LEU  75   6.187 -19.203  -0.850
  573   HD21  LEU  75          HD21      LEU  75   3.804 -22.225  -2.690
  574   HD22  LEU  75          HD22      LEU  75   3.295 -21.299  -1.265
  575   HD23  LEU  75          HD23      LEU  75   3.277 -20.540  -2.866
  576    H    LYS  76           H        LYS  76   9.033 -21.781  -4.488
  577    HA   LYS  76           HA       LYS  76   9.608 -23.591  -2.333
  578    HB2  LYS  76           HB2      LYS  76  11.092 -23.015  -4.944
  579    HB3  LYS  76           HB3      LYS  76  11.451 -24.362  -3.856
  580    HG2  LYS  76           HG2      LYS  76   9.197 -25.302  -4.206
  581    HG3  LYS  76           HG3      LYS  76   8.756 -23.932  -5.228
  582    HD2  LYS  76           HD2      LYS  76   9.269 -25.809  -6.633
  583    HD3  LYS  76           HD3      LYS  76  10.502 -24.561  -6.864
  584    HE2  LYS  76           HE2      LYS  76  12.047 -25.813  -5.370
  585    HE3  LYS  76           HE3      LYS  76  10.798 -27.033  -5.090
  586    HZ1  LYS  76           HZ1      LYS  76  10.901 -27.582  -7.452
  587    HZ2  LYS  76           HZ2      LYS  76  12.052 -26.449  -7.712
  588    HZ3  LYS  76           HZ3      LYS  76  12.372 -27.741  -6.774
  589    H    ASP  77           H        ASP  77  10.905 -20.443  -3.142
  590    HA   ASP  77           HA       ASP  77  13.214 -20.859  -1.285
  591    HB2  ASP  77           HB2      ASP  77  13.811 -20.203  -3.566
  592    HB3  ASP  77           HB3      ASP  77  12.721 -18.817  -3.480
  593    H    ILE  78           H        ILE  78  10.232 -19.074  -1.820
  594    HA   ILE  78           HA       ILE  78  10.747 -16.946   0.080
  595    HB   ILE  78           HB       ILE  78   8.247 -18.050  -1.227
  596   HG12  ILE  78          HG12      ILE  78   9.650 -15.365  -1.614
  597   HG13  ILE  78          HG13      ILE  78   9.987 -16.775  -2.607
  598   HG21  ILE  78          HG21      ILE  78   7.501 -17.115   0.899
  599   HG22  ILE  78          HG22      ILE  78   8.405 -15.605   0.576
  600   HG23  ILE  78          HG23      ILE  78   7.001 -16.068  -0.406
  601   HD11  ILE  78          HD11      ILE  78   7.347 -15.281  -2.456
  602   HD12  ILE  78          HD12      ILE  78   8.459 -15.419  -3.821
  603   HD13  ILE  78          HD13      ILE  78   7.561 -16.847  -3.277
  604    H    ALA  79           H        ALA  79  10.302 -16.867   2.243
  605    HA   ALA  79           HA       ALA  79   9.268 -19.308   3.588
  606    HB1  ALA  79           HB1      ALA  79  11.620 -17.568   4.461
  607    HB2  ALA  79           HB2      ALA  79  11.001 -19.004   5.305
  608    HB3  ALA  79           HB3      ALA  79  11.752 -19.176   3.710
  609    H    MET  80           H        MET  80   7.836 -16.985   2.796
  610    HA   MET  80           HA       MET  80   7.124 -15.367   5.120
  611    HB2  MET  80           HB2      MET  80   5.783 -16.006   2.452
  612    HB3  MET  80           HB3      MET  80   5.015 -14.998   3.665
  613    HG2  MET  80           HG2      MET  80   7.743 -14.397   2.475
  614    HG3  MET  80           HG3      MET  80   6.233 -13.750   1.847
  615    HE1  MET  80           HE1      MET  80   4.895 -11.824   2.800
  616    HE2  MET  80           HE2      MET  80   4.456 -12.815   4.209
  617    HE3  MET  80           HE3      MET  80   5.071 -11.167   4.441
  618    HA   PRO  81           HA       PRO  81   4.296 -18.236   7.196
  619    HB2  PRO  81           HB2      PRO  81   2.201 -16.116   6.644
  620    HB3  PRO  81           HB3      PRO  81   2.478 -17.051   8.150
  621    HG2  PRO  81           HG2      PRO  81   3.389 -14.512   7.951
  622    HG3  PRO  81           HG3      PRO  81   4.457 -15.779   8.641
  623    HD2  PRO  81           HD2      PRO  81   4.461 -14.631   5.844
  624    HD3  PRO  81           HD3      PRO  81   5.848 -14.993   6.917
  625    H    LYS  82           H        LYS  82   2.835 -19.876   6.496
  626    HA   LYS  82           HA       LYS  82   2.045 -19.732   3.615
  627    HB2  LYS  82           HB2      LYS  82   4.060 -21.397   4.985
  628    HB3  LYS  82           HB3      LYS  82   2.858 -22.393   4.172
  629    HG2  LYS  82           HG2      LYS  82   3.257 -21.418   2.063
  630    HG3  LYS  82           HG3      LYS  82   4.194 -20.065   2.765
  631    HD2  LYS  82           HD2      LYS  82   5.864 -21.895   3.561
  632    HD3  LYS  82           HD3      LYS  82   4.989 -22.974   2.448
  633    HE2  LYS  82           HE2      LYS  82   5.369 -21.125   0.677
  634    HE3  LYS  82           HE3      LYS  82   6.516 -20.402   1.813
  635    HZ1  LYS  82           HZ1      LYS  82   6.654 -23.081   0.566
  636    HZ2  LYS  82           HZ2      LYS  82   7.658 -21.822   0.253
  637    HZ3  LYS  82           HZ3      LYS  82   7.733 -22.561   1.719
  638    H    VAL  83           H        VAL  83   0.641 -21.431   2.920
  639    HA   VAL  83           HA       VAL  83  -0.828 -22.969   4.890
  640    HB   VAL  83           HB       VAL  83  -2.220 -21.089   4.886
  641   HG11  VAL  83          HG11      VAL  83  -2.188 -21.076   1.849
  642   HG12  VAL  83          HG12      VAL  83  -3.207 -20.027   2.861
  643   HG13  VAL  83          HG13      VAL  83  -1.450 -19.858   2.896
  644   HG21  VAL  83          HG21      VAL  83  -3.434 -23.216   4.712
  645   HG22  VAL  83          HG22      VAL  83  -4.342 -21.836   4.087
  646   HG23  VAL  83          HG23      VAL  83  -3.590 -22.965   2.951
  647    H    LYS  84           H        LYS  84  -2.016 -24.637   3.742
  648    HA   LYS  84           HA       LYS  84  -0.768 -25.458   1.167
  649    HB2  LYS  84           HB2      LYS  84  -0.582 -26.922   3.829
  650    HB3  LYS  84           HB3      LYS  84  -0.187 -27.662   2.283
  651    HG2  LYS  84           HG2      LYS  84   1.747 -26.315   1.964
  652    HG3  LYS  84           HG3      LYS  84   1.317 -25.178   3.251
  653    HD2  LYS  84           HD2      LYS  84   1.511 -26.966   4.935
  654    HD3  LYS  84           HD3      LYS  84   1.935 -28.144   3.696
  655    HE2  LYS  84           HE2      LYS  84   3.574 -25.624   4.239
  656    HE3  LYS  84           HE3      LYS  84   3.811 -27.132   5.124
  657    HZ1  LYS  84           HZ1      LYS  84   5.340 -27.077   3.345
  658    HZ2  LYS  84           HZ2      LYS  84   4.248 -28.221   2.965
  659    HZ3  LYS  84           HZ3      LYS  84   4.220 -26.753   2.213
  660    H    GLY  85           H        GLY  85  -1.863 -27.342   0.228
  661    HA2  GLY  85           HA2      GLY  85  -4.167 -28.530   1.498
  662    HA3  GLY  85           HA3      GLY  85  -4.616 -27.377   0.225
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1  -0.535   0.639   0.973
    2    H2   ALA   1           H2       ALA   1  -0.290  -0.974   1.112
    3    H3   ALA   1           H3       ALA   1   0.988   0.045   1.113
    4    HA   ALA   1           HA       ALA   1  -0.817  -0.420  -1.166
    5    HB1  ALA   1           HB1      ALA   1   0.702   1.008  -2.457
    6    HB2  ALA   1           HB2      ALA   1   0.002   1.905  -1.107
    7    HB3  ALA   1           HB3      ALA   1   1.680   1.326  -1.013
    8    H    GLU   2           H        GLU   2  -0.383  -2.794  -0.656
    9    HA   GLU   2           HA       GLU   2   1.857  -3.776  -2.171
   10    HB2  GLU   2           HB2      GLU   2   2.956  -3.332   0.025
   11    HB3  GLU   2           HB3      GLU   2   1.677  -4.209   0.860
   12    HG2  GLU   2           HG2      GLU   2   2.410  -6.314  -0.273
   13    HG3  GLU   2           HG3      GLU   2   3.713  -5.415  -1.055
   14    H    HIS   3           H        HIS   3   1.334  -5.884  -2.878
   15    HA   HIS   3           HA       HIS   3  -0.601  -7.520  -1.395
   16    HB2  HIS   3           HB2      HIS   3  -0.934  -6.890  -4.368
   17    HB3  HIS   3           HB3      HIS   3  -1.764  -8.174  -3.496
   18    HD1  HIS   3           HD1      HIS   3  -3.471  -7.160  -1.402
   19    HD2  HIS   3           HD2      HIS   3  -2.264  -4.694  -4.595
   20    HE1  HIS   3           HE1      HIS   3  -5.142  -5.244  -1.493
   21    H    TRP   4           H        TRP   4  -0.030  -9.681  -1.589
   22    HA   TRP   4           HA       TRP   4   2.300 -10.376  -3.287
   23    HB2  TRP   4           HB2      TRP   4   0.682 -11.910  -1.212
   24    HB3  TRP   4           HB3      TRP   4   1.946 -12.632  -2.194
   25    HD1  TRP   4           HD1      TRP   4   1.482 -10.117   0.659
   26    HE1  TRP   4           HE1      TRP   4   3.640  -9.928   1.996
   27    HE3  TRP   4           HE3      TRP   4   4.529 -12.969  -2.331
   28    HZ2  TRP   4           HZ2      TRP   4   6.367 -10.912   1.817
   29    HZ3  TRP   4           HZ3      TRP   4   6.891 -13.332  -1.704
   30    HH2  TRP   4           HH2      TRP   4   7.825 -12.313   0.359
   31    H    ILE   5           H        ILE   5   1.849 -11.093  -5.341
   32    HA   ILE   5           HA       ILE   5  -0.874 -12.159  -5.933
   33    HB   ILE   5           HB       ILE   5   0.833 -10.326  -7.657
   34   HG12  ILE   5          HG12      ILE   5  -0.235  -9.000  -5.914
   35   HG13  ILE   5          HG13      ILE   5  -0.980  -8.692  -7.475
   36   HG21  ILE   5          HG21      ILE   5  -0.331 -11.901  -9.076
   37   HG22  ILE   5          HG22      ILE   5  -1.848 -11.669  -8.197
   38   HG23  ILE   5          HG23      ILE   5  -1.169 -10.352  -9.180
   39   HD11  ILE   5          HD11      ILE   5  -2.670  -8.721  -5.780
   40   HD12  ILE   5          HD12      ILE   5  -2.916 -10.112  -6.843
   41   HD13  ILE   5          HD13      ILE   5  -2.177 -10.329  -5.238
   42    H    ASP   6           H        ASP   6  -0.531 -14.237  -6.048
   43    HA   ASP   6           HA       ASP   6   1.868 -15.519  -7.068
   44    HB2  ASP   6           HB2      ASP   6   0.360 -16.461  -5.314
   45    HB3  ASP   6           HB3      ASP   6  -0.941 -16.542  -6.470
   46    H    VAL   7           H        VAL   7   2.295 -15.388  -9.238
   47    HA   VAL   7           HA       VAL   7   0.043 -15.284 -11.170
   48    HB   VAL   7           HB       VAL   7   1.666 -14.482 -12.800
   49   HG11  VAL   7          HG11      VAL   7   1.745 -12.838 -10.237
   50   HG12  VAL   7          HG12      VAL   7   1.989 -12.248 -11.892
   51   HG13  VAL   7          HG13      VAL   7   0.408 -12.885 -11.402
   52   HG21  VAL   7          HG21      VAL   7   3.721 -14.262 -10.571
   53   HG22  VAL   7          HG22      VAL   7   3.727 -15.573 -11.781
   54   HG23  VAL   7          HG23      VAL   7   3.911 -13.895 -12.284
   55    H    ARG   8           H        ARG   8   1.659 -17.587  -9.710
   56    HA   ARG   8           HA       ARG   8   2.410 -19.496 -11.732
   57    HB2  ARG   8           HB2      ARG   8   2.859 -19.315  -9.173
   58    HB3  ARG   8           HB3      ARG   8   1.169 -19.830  -8.999
   59    HG2  ARG   8           HG2      ARG   8   1.731 -22.030  -9.830
   60    HG3  ARG   8           HG3      ARG   8   3.391 -21.496 -10.202
   61    HD2  ARG   8           HD2      ARG   8   2.946 -22.782  -7.967
   62    HD3  ARG   8           HD3      ARG   8   4.011 -21.376  -7.950
   63    HE   ARG   8           HE       ARG   8   1.859 -20.096  -7.264
   64   HH11  ARG   8          HH11      ARG   8   2.922 -23.260  -5.927
   65   HH12  ARG   8          HH12      ARG   8   1.892 -23.077  -4.530
   66   HH21  ARG   8          HH21      ARG   8   0.491 -20.043  -5.551
   67   HH22  ARG   8          HH22      ARG   8   0.673 -21.213  -4.224
   68    H    VAL   9           H        VAL   9   1.074 -21.501 -12.133
   69    HA   VAL   9           HA       VAL   9  -1.643 -20.965 -12.760
   70    HB   VAL   9           HB       VAL   9  -1.801 -23.449 -13.111
   71   HG11  VAL   9          HG11      VAL   9  -1.071 -21.909 -14.903
   72   HG12  VAL   9          HG12      VAL   9   0.623 -22.130 -14.412
   73   HG13  VAL   9          HG13      VAL   9  -0.311 -23.500 -15.041
   74   HG21  VAL   9          HG21      VAL   9   0.191 -24.849 -13.002
   75   HG22  VAL   9          HG22      VAL   9   1.154 -23.519 -12.334
   76   HG23  VAL   9          HG23      VAL   9  -0.180 -24.224 -11.393
   77    HA   PRO  10           HA       PRO  10  -3.483 -21.254  -8.839
   78    HB2  PRO  10           HB2      PRO  10  -6.075 -21.926  -9.365
   79    HB3  PRO  10           HB3      PRO  10  -5.344 -20.366  -9.881
   80    HG2  PRO  10           HG2      PRO  10  -5.664 -22.883 -11.537
   81    HG3  PRO  10           HG3      PRO  10  -6.154 -21.206 -11.958
   82    HD2  PRO  10           HD2      PRO  10  -3.789 -22.222 -12.799
   83    HD3  PRO  10           HD3      PRO  10  -3.912 -20.525 -12.250
   84    H    GLU  11           H        GLU  11  -3.436 -24.169 -10.795
   85    HA   GLU  11           HA       GLU  11  -4.433 -26.025  -8.886
   86    HB2  GLU  11           HB2      GLU  11  -2.381 -26.364 -11.101
   87    HB3  GLU  11           HB3      GLU  11  -3.115 -27.695 -10.202
   88    HG2  GLU  11           HG2      GLU  11  -4.638 -25.682 -11.922
   89    HG3  GLU  11           HG3      GLU  11  -4.195 -27.312 -12.400
   90    H    GLN  12           H        GLN  12  -1.278 -24.375  -9.055
   91    HA   GLN  12           HA       GLN  12  -0.196 -26.160  -6.960
   92    HB2  GLN  12           HB2      GLN  12   0.945 -23.747  -8.398
   93    HB3  GLN  12           HB3      GLN  12   1.790 -24.693  -7.152
   94    HG2  GLN  12           HG2      GLN  12   1.649 -26.719  -8.553
   95    HG3  GLN  12           HG3      GLN  12   0.805 -25.810  -9.804
   96   HE21  GLN  12          HE22      GLN  12   2.345 -25.907 -11.479
   97   HE22  GLN  12          HE21      GLN  12   3.958 -25.260 -11.334
   98    H    TYR  13           H        TYR  13  -1.701 -22.926  -7.232
   99    HA   TYR  13           HA       TYR  13  -1.161 -21.973  -4.612
  100    HB2  TYR  13           HB2      TYR  13  -2.224 -20.663  -6.431
  101    HB3  TYR  13           HB3      TYR  13  -3.668 -21.641  -6.293
  102    HD1  TYR  13           HD1      TYR  13  -1.664 -18.979  -4.685
  103    HD2  TYR  13           HD2      TYR  13  -5.278 -21.325  -4.484
  104    HE1  TYR  13           HE1      TYR  13  -2.633 -17.326  -3.135
  105    HE2  TYR  13           HE2      TYR  13  -6.250 -19.687  -2.903
  106    HH   TYR  13           HH       TYR  13  -4.504 -16.694  -1.919
  107    H    GLN  14           H        GLN  14  -3.578 -24.316  -5.748
  108    HA   GLN  14           HA       GLN  14  -4.876 -24.655  -3.212
  109    HB2  GLN  14           HB2      GLN  14  -4.643 -26.397  -5.694
  110    HB3  GLN  14           HB3      GLN  14  -5.666 -26.820  -4.320
  111    HG2  GLN  14           HG2      GLN  14  -7.131 -24.997  -4.652
  112    HG3  GLN  14           HG3      GLN  14  -5.986 -24.108  -5.649
  113   HE21  GLN  14          HE22      GLN  14  -5.865 -24.477  -7.839
  114   HE22  GLN  14          HE21      GLN  14  -6.810 -25.667  -8.723
  115    H    GLN  15           H        GLN  15  -1.706 -25.688  -4.230
  116    HA   GLN  15           HA       GLN  15  -1.649 -27.883  -2.233
  117    HB2  GLN  15           HB2      GLN  15   0.456 -26.994  -4.247
  118    HB3  GLN  15           HB3      GLN  15   0.580 -28.366  -3.154
  119    HG2  GLN  15           HG2      GLN  15  -1.445 -28.064  -5.415
  120    HG3  GLN  15           HG3      GLN  15  -0.005 -29.072  -5.435
  121   HE21  GLN  15          HE22      GLN  15   0.109 -30.836  -3.673
  122   HE22  GLN  15          HE21      GLN  15  -1.392 -31.609  -3.235
  123    H    GLU  16           H        GLU  16  -0.040 -24.767  -3.025
  124    HA   GLU  16           HA       GLU  16   0.252 -24.189  -0.195
  125    HB2  GLU  16           HB2      GLU  16   2.279 -25.566  -0.592
  126    HB3  GLU  16           HB3      GLU  16   2.747 -24.510  -1.932
  127    HG2  GLU  16           HG2      GLU  16   2.998 -22.609  -0.374
  128    HG3  GLU  16           HG3      GLU  16   2.421 -23.608   0.964
  129    H    HIS  17           H        HIS  17   0.439 -21.946   0.140
  130    HA   HIS  17           HA       HIS  17   1.364 -20.232  -2.007
  131    HB2  HIS  17           HB2      HIS  17  -0.627 -18.709  -1.849
  132    HB3  HIS  17           HB3      HIS  17  -0.900 -20.245  -2.658
  133    HD1  HIS  17           HD1      HIS  17  -2.658 -21.919  -1.564
  134    HD2  HIS  17           HD2      HIS  17  -2.047 -18.251   0.407
  135    HE1  HIS  17           HE1      HIS  17  -4.555 -21.680   0.119
  136    H    VAL  18           H        VAL  18   1.605 -17.947  -1.182
  137    HA   VAL  18           HA       VAL  18   2.805 -17.956   1.464
  138    HB   VAL  18           HB       VAL  18   2.274 -15.754  -0.589
  139   HG11  VAL  18          HG11      VAL  18   2.612 -14.743   1.618
  140   HG12  VAL  18          HG12      VAL  18   4.058 -15.751   1.873
  141   HG13  VAL  18          HG13      VAL  18   4.046 -14.489   0.624
  142   HG21  VAL  18          HG21      VAL  18   4.648 -15.968  -1.125
  143   HG22  VAL  18          HG22      VAL  18   4.815 -17.331   0.011
  144   HG23  VAL  18          HG23      VAL  18   3.821 -17.480  -1.452
  145    H    GLN  19           H        GLN  19   1.961 -16.902   3.295
  146    HA   GLN  19           HA       GLN  19  -0.777 -17.146   3.739
  147    HB2  GLN  19           HB2      GLN  19   1.033 -17.123   5.444
  148    HB3  GLN  19           HB3      GLN  19   1.225 -15.381   5.215
  149    HG2  GLN  19           HG2      GLN  19  -1.110 -15.031   5.996
  150    HG3  GLN  19           HG3      GLN  19  -1.316 -16.778   6.175
  151   HE21  GLN  19          HE22      GLN  19  -0.048 -17.901   7.873
  152   HE22  GLN  19          HE21      GLN  19   0.579 -16.995   9.224
  153    H    GLY  20           H        GLY  20  -2.454 -16.046   2.972
  154    HA2  GLY  20           HA2      GLY  20  -3.858 -14.292   2.596
  155    HA3  GLY  20           HA3      GLY  20  -2.596 -13.167   3.106
  156    H    ALA  21           H        ALA  21  -1.344 -15.161   0.586
  157    HA   ALA  21           HA       ALA  21  -1.306 -12.948  -1.264
  158    HB1  ALA  21           HB1      ALA  21  -0.301 -14.611  -2.812
  159    HB2  ALA  21           HB2      ALA  21   0.490 -14.603  -1.222
  160    HB3  ALA  21           HB3      ALA  21  -0.651 -15.904  -1.650
  161    H    ILE  22           H        ILE  22  -2.328 -12.721  -3.235
  162    HA   ILE  22           HA       ILE  22  -4.924 -14.123  -3.620
  163    HB   ILE  22           HB       ILE  22  -3.750 -12.014  -5.448
  164   HG12  ILE  22          HG12      ILE  22  -3.560 -10.881  -3.307
  165   HG13  ILE  22          HG13      ILE  22  -4.831 -10.176  -4.270
  166   HG21  ILE  22          HG21      ILE  22  -6.611 -12.782  -4.760
  167   HG22  ILE  22          HG22      ILE  22  -6.151 -11.423  -5.807
  168   HG23  ILE  22          HG23      ILE  22  -5.746 -13.066  -6.285
  169   HD11  ILE  22          HD11      ILE  22  -5.473 -10.356  -1.896
  170   HD12  ILE  22          HD12      ILE  22  -6.559 -11.315  -2.912
  171   HD13  ILE  22          HD13      ILE  22  -5.292 -12.118  -1.954
  172    H    ASN  23           H        ASN  23  -5.216 -15.189  -5.793
  173    HA   ASN  23           HA       ASN  23  -2.673 -15.691  -7.258
  174    HB2  ASN  23           HB2      ASN  23  -3.282 -17.813  -6.315
  175    HB3  ASN  23           HB3      ASN  23  -4.940 -17.675  -6.916
  176   HD21  ASN  23          HD22      ASN  23  -1.619 -18.635  -7.762
  177   HD22  ASN  23          HD21      ASN  23  -1.921 -18.855  -9.472
  178    H    ILE  24           H        ILE  24  -2.649 -14.929  -9.170
  179    HA   ILE  24           HA       ILE  24  -5.089 -14.610 -10.746
  180    HB   ILE  24           HB       ILE  24  -3.147 -12.284 -10.575
  181   HG12  ILE  24          HG12      ILE  24  -5.730 -12.447  -9.016
  182   HG13  ILE  24          HG13      ILE  24  -4.095 -12.360  -8.356
  183   HG21  ILE  24          HG21      ILE  24  -4.446 -12.647 -12.606
  184   HG22  ILE  24          HG22      ILE  24  -5.940 -12.561 -11.662
  185   HG23  ILE  24          HG23      ILE  24  -4.890 -11.133 -11.802
  186   HD11  ILE  24          HD11      ILE  24  -5.518 -10.152  -9.870
  187   HD12  ILE  24          HD12      ILE  24  -5.075 -10.195  -8.163
  188   HD13  ILE  24          HD13      ILE  24  -3.802 -10.113  -9.397
  189    HA   PRO  25           HA       PRO  25  -1.442 -16.779 -12.393
  190    HB2  PRO  25           HB2      PRO  25  -2.573 -18.141 -14.482
  191    HB3  PRO  25           HB3      PRO  25  -2.800 -18.613 -12.765
  192    HG2  PRO  25           HG2      PRO  25  -4.676 -16.985 -14.490
  193    HG3  PRO  25           HG3      PRO  25  -5.062 -18.384 -13.439
  194    HD2  PRO  25           HD2      PRO  25  -5.393 -15.802 -12.598
  195    HD3  PRO  25           HD3      PRO  25  -4.881 -17.087 -11.484
  196    H    LEU  26           H        LEU  26  -0.042 -16.405 -14.247
  197    HA   LEU  26           HA       LEU  26   0.108 -13.792 -14.909
  198    HB2  LEU  26           HB2      LEU  26   1.927 -15.407 -15.070
  199    HB3  LEU  26           HB3      LEU  26   1.196 -16.157 -16.487
  200    HG   LEU  26           HG       LEU  26   1.661 -14.215 -17.861
  201   HD11  LEU  26          HD11      LEU  26   2.494 -12.896 -15.254
  202   HD12  LEU  26          HD12      LEU  26   3.067 -12.312 -16.838
  203   HD13  LEU  26          HD13      LEU  26   1.351 -12.303 -16.472
  204   HD21  LEU  26          HD21      LEU  26   4.091 -14.866 -16.122
  205   HD22  LEU  26          HD22      LEU  26   3.478 -15.876 -17.451
  206   HD23  LEU  26          HD23      LEU  26   4.114 -14.260 -17.790
  207    H    LYS  27           H        LYS  27  -1.550 -16.184 -17.010
  208    HA   LYS  27           HA       LYS  27  -2.000 -14.478 -19.209
  209    HB2  LYS  27           HB2      LYS  27  -2.276 -16.938 -19.226
  210    HB3  LYS  27           HB3      LYS  27  -3.626 -16.813 -18.098
  211    HG2  LYS  27           HG2      LYS  27  -4.425 -17.228 -20.331
  212    HG3  LYS  27           HG3      LYS  27  -4.971 -15.643 -19.787
  213    HD2  LYS  27           HD2      LYS  27  -3.221 -14.548 -21.161
  214    HD3  LYS  27           HD3      LYS  27  -2.594 -16.143 -21.642
  215    HE2  LYS  27           HE2      LYS  27  -4.790 -16.676 -22.683
  216    HE3  LYS  27           HE3      LYS  27  -5.405 -15.089 -22.205
  217    HZ1  LYS  27           HZ1      LYS  27  -3.154 -15.548 -24.078
  218    HZ2  LYS  27           HZ2      LYS  27  -4.661 -15.098 -24.498
  219    HZ3  LYS  27           HZ3      LYS  27  -3.727 -14.079 -23.639
  220    H    GLU  28           H        GLU  28  -3.768 -14.842 -16.126
  221    HA   GLU  28           HA       GLU  28  -5.959 -13.066 -16.935
  222    HB2  GLU  28           HB2      GLU  28  -5.248 -14.726 -14.549
  223    HB3  GLU  28           HB3      GLU  28  -6.072 -13.218 -14.193
  224    HG2  GLU  28           HG2      GLU  28  -7.933 -13.767 -15.616
  225    HG3  GLU  28           HG3      GLU  28  -7.124 -15.237 -16.193
  226    H    VAL  29           H        VAL  29  -3.036 -12.912 -14.858
  227    HA   VAL  29           HA       VAL  29  -3.704 -10.564 -13.579
  228    HB   VAL  29           HB       VAL  29  -1.741 -12.279 -13.300
  229   HG11  VAL  29          HG11      VAL  29  -0.405 -11.513 -15.250
  230   HG12  VAL  29          HG12      VAL  29  -0.127  -9.973 -14.429
  231   HG13  VAL  29          HG13      VAL  29   0.477 -11.481 -13.719
  232   HG21  VAL  29          HG21      VAL  29  -2.501 -10.482 -11.649
  233   HG22  VAL  29          HG22      VAL  29  -0.791 -10.913 -11.566
  234   HG23  VAL  29          HG23      VAL  29  -1.279  -9.420 -12.377
  235    H    LYS  30           H        LYS  30  -2.178 -10.852 -16.686
  236    HA   LYS  30           HA       LYS  30  -1.497  -8.149 -17.082
  237    HB2  LYS  30           HB2      LYS  30  -0.936 -10.361 -18.414
  238    HB3  LYS  30           HB3      LYS  30  -2.448 -10.071 -19.271
  239    HG2  LYS  30           HG2      LYS  30  -1.545  -7.833 -20.008
  240    HG3  LYS  30           HG3      LYS  30  -0.045  -8.193 -19.130
  241    HD2  LYS  30           HD2      LYS  30   0.335 -10.161 -20.583
  242    HD3  LYS  30           HD3      LYS  30  -1.191  -9.826 -21.436
  243    HE2  LYS  30           HE2      LYS  30  -0.312  -7.599 -22.119
  244    HE3  LYS  30           HE3      LYS  30   1.211  -7.943 -21.291
  245    HZ1  LYS  30           HZ1      LYS  30   0.142  -9.465 -23.600
  246    HZ2  LYS  30           HZ2      LYS  30   1.367  -8.396 -23.656
  247    HZ3  LYS  30           HZ3      LYS  30   1.551  -9.793 -22.837
  248    H    GLU  31           H        GLU  31  -4.671  -9.379 -16.845
  249    HA   GLU  31           HA       GLU  31  -5.670  -6.706 -17.730
  250    HB2  GLU  31           HB2      GLU  31  -7.057  -9.408 -17.934
  251    HB3  GLU  31           HB3      GLU  31  -7.855  -7.862 -18.193
  252    HG2  GLU  31           HG2      GLU  31  -5.572  -9.018 -19.853
  253    HG3  GLU  31           HG3      GLU  31  -7.269  -8.970 -20.307
  254    H    ARG  32           H        ARG  32  -6.134  -9.514 -15.573
  255    HA   ARG  32           HA       ARG  32  -8.134  -8.274 -14.002
  256    HB2  ARG  32           HB2      ARG  32  -7.991 -10.668 -14.252
  257    HB3  ARG  32           HB3      ARG  32  -6.406 -10.716 -13.471
  258    HG2  ARG  32           HG2      ARG  32  -7.299 -10.174 -11.348
  259    HG3  ARG  32           HG3      ARG  32  -8.850  -9.635 -12.019
  260    HD2  ARG  32           HD2      ARG  32  -9.578 -11.854 -12.443
  261    HD3  ARG  32           HD3      ARG  32  -7.947 -12.503 -12.346
  262    HE   ARG  32           HE       ARG  32  -9.356 -11.345  -9.978
  263   HH11  ARG  32          HH11      ARG  32  -7.798 -14.265 -11.374
  264   HH12  ARG  32          HH12      ARG  32  -7.286 -14.840  -9.803
  265   HH21  ARG  32          HH21      ARG  32  -8.883 -12.315  -7.953
  266   HH22  ARG  32          HH22      ARG  32  -8.057 -13.828  -7.885
  267    H    ILE  33           H        ILE  33  -4.610  -7.956 -13.740
  268    HA   ILE  33           HA       ILE  33  -4.663  -7.158 -10.983
  269    HB   ILE  33           HB       ILE  33  -2.559  -7.626 -12.330
  270   HG12  ILE  33          HG12      ILE  33  -1.218  -5.761 -11.145
  271   HG13  ILE  33          HG13      ILE  33  -2.744  -5.171 -10.519
  272   HG21  ILE  33          HG21      ILE  33  -1.488  -5.826 -13.526
  273   HG22  ILE  33          HG22      ILE  33  -3.065  -6.119 -14.271
  274   HG23  ILE  33          HG23      ILE  33  -2.827  -4.732 -13.207
  275   HD11  ILE  33          HD11      ILE  33  -1.587  -7.966 -10.100
  276   HD12  ILE  33          HD12      ILE  33  -1.607  -6.645  -8.918
  277   HD13  ILE  33          HD13      ILE  33  -3.131  -7.392  -9.431
  278    H    ALA  34           H        ALA  34  -5.455  -5.434 -14.027
  279    HA   ALA  34           HA       ALA  34  -5.632  -2.861 -12.876
  280    HB1  ALA  34           HB1      ALA  34  -5.778  -3.358 -15.335
  281    HB2  ALA  34           HB2      ALA  34  -7.415  -4.013 -15.066
  282    HB3  ALA  34           HB3      ALA  34  -7.087  -2.298 -14.766
  283    H    THR  35           H        THR  35  -8.010  -5.504 -12.882
  284    HA   THR  35           HA       THR  35 -10.098  -3.982 -11.631
  285    HB   THR  35           HB       THR  35  -9.778  -7.008 -11.604
  286    HG1  THR  35           HG1      THR  35 -10.643  -7.021 -13.684
  287   HG21  THR  35          HG21      THR  35 -12.220  -5.198 -11.921
  288   HG22  THR  35          HG22      THR  35 -12.234  -6.977 -11.892
  289   HG23  THR  35          HG23      THR  35 -11.762  -6.076 -10.446
  290    H    ALA  36           H        ALA  36  -7.569  -6.211 -10.477
  291    HA   ALA  36           HA       ALA  36  -8.650  -6.341  -7.788
  292    HB1  ALA  36           HB1      ALA  36  -6.675  -7.774  -7.370
  293    HB2  ALA  36           HB2      ALA  36  -7.523  -8.256  -8.853
  294    HB3  ALA  36           HB3      ALA  36  -6.009  -7.330  -8.956
  295    H    VAL  37           H        VAL  37  -6.056  -4.537  -9.352
  296    HA   VAL  37           HA       VAL  37  -5.424  -3.014  -6.905
  297    HB   VAL  37           HB       VAL  37  -3.262  -4.270  -8.637
  298   HG11  VAL  37          HG11      VAL  37  -3.228  -2.991  -5.880
  299   HG12  VAL  37          HG12      VAL  37  -1.833  -3.702  -6.727
  300   HG13  VAL  37          HG13      VAL  37  -2.622  -2.272  -7.389
  301   HG21  VAL  37          HG21      VAL  37  -4.351  -5.434  -6.066
  302   HG22  VAL  37          HG22      VAL  37  -4.279  -6.195  -7.676
  303   HG23  VAL  37          HG23      VAL  37  -2.790  -5.862  -6.811
  304    HA   PRO  38           HA       PRO  38  -5.912  -0.670 -10.917
  305    HB2  PRO  38           HB2      PRO  38  -7.328   1.492  -9.895
  306    HB3  PRO  38           HB3      PRO  38  -8.058  -0.006 -10.543
  307    HG2  PRO  38           HG2      PRO  38  -7.506   0.710  -7.657
  308    HG3  PRO  38           HG3      PRO  38  -8.974  -0.045  -8.359
  309    HD2  PRO  38           HD2      PRO  38  -7.053  -1.520  -7.111
  310    HD3  PRO  38           HD3      PRO  38  -7.911  -2.147  -8.551
  311    H    ASP  39           H        ASP  39  -4.872   0.345  -7.663
  312    HA   ASP  39           HA       ASP  39  -3.490   2.727  -8.424
  313    HB2  ASP  39           HB2      ASP  39  -4.098   2.339  -6.119
  314    HB3  ASP  39           HB3      ASP  39  -3.117   0.869  -6.055
  315    H    LYS  40           H        LYS  40  -1.950   2.734  -9.917
  316    HA   LYS  40           HA       LYS  40  -0.331   0.534 -10.656
  317    HB2  LYS  40           HB2      LYS  40   0.049   3.525 -11.102
  318    HB3  LYS  40           HB3      LYS  40   0.964   2.285 -11.947
  319    HG2  LYS  40           HG2      LYS  40  -2.073   2.508 -12.029
  320    HG3  LYS  40           HG3      LYS  40  -1.008   3.235 -13.226
  321    HD2  LYS  40           HD2      LYS  40  -0.288   1.143 -14.059
  322    HD3  LYS  40           HD3      LYS  40  -0.909   0.244 -12.680
  323    HE2  LYS  40           HE2      LYS  40  -2.725   1.810 -14.546
  324    HE3  LYS  40           HE3      LYS  40  -2.252   0.142 -14.875
  325    HZ1  LYS  40           HZ1      LYS  40  -4.381   0.328 -13.701
  326    HZ2  LYS  40           HZ2      LYS  40  -3.305  -0.565 -12.855
  327    HZ3  LYS  40           HZ3      LYS  40  -3.653   0.969 -12.383
  328    H    ASN  41           H        ASN  41   0.067   2.840  -8.053
  329    HA   ASN  41           HA       ASN  41   2.969   2.359  -7.803
  330    HB2  ASN  41           HB2      ASN  41   1.974   4.633  -7.516
  331    HB3  ASN  41           HB3      ASN  41   1.047   4.034  -6.141
  332   HD21  ASN  41          HD22      ASN  41   1.996   4.325  -4.147
  333   HD22  ASN  41          HD21      ASN  41   3.697   4.605  -3.882
  334    H    ASP  42           H        ASP  42   0.325   0.461  -7.021
  335    HA   ASP  42           HA       ASP  42   0.898  -0.179  -4.260
  336    HB2  ASP  42           HB2      ASP  42  -1.184  -0.803  -5.595
  337    HB3  ASP  42           HB3      ASP  42  -0.164  -2.088  -6.315
  338    H    THR  43           H        THR  43   2.256  -1.770  -3.427
  339    HA   THR  43           HA       THR  43   4.390  -2.727  -5.132
  340    HB   THR  43           HB       THR  43   3.932  -3.405  -2.217
  341    HG1  THR  43           HG1      THR  43   4.105  -1.270  -2.235
  342   HG21  THR  43          HG21      THR  43   6.287  -3.481  -4.139
  343   HG22  THR  43          HG22      THR  43   6.399  -3.779  -2.373
  344   HG23  THR  43          HG23      THR  43   5.443  -4.857  -3.413
  345    H    VAL  44           H        VAL  44   3.084  -3.822  -6.613
  346    HA   VAL  44           HA       VAL  44   1.728  -6.308  -5.899
  347    HB   VAL  44           HB       VAL  44   2.727  -5.262  -8.599
  348   HG11  VAL  44          HG11      VAL  44   1.101  -6.913  -9.532
  349   HG12  VAL  44          HG12      VAL  44   2.394  -7.706  -8.622
  350   HG13  VAL  44          HG13      VAL  44   0.799  -7.509  -7.888
  351   HG21  VAL  44          HG21      VAL  44   0.333  -4.697  -8.998
  352   HG22  VAL  44          HG22      VAL  44  -0.038  -5.139  -7.315
  353   HG23  VAL  44          HG23      VAL  44   1.017  -3.755  -7.674
  354    H    LYS  45           H        LYS  45   3.066  -7.683  -4.793
  355    HA   LYS  45           HA       LYS  45   5.811  -8.243  -5.726
  356    HB2  LYS  45           HB2      LYS  45   4.186  -9.656  -3.576
  357    HB3  LYS  45           HB3      LYS  45   5.896  -9.860  -3.918
  358    HG2  LYS  45           HG2      LYS  45   6.297  -7.513  -3.225
  359    HG3  LYS  45           HG3      LYS  45   4.544  -7.329  -2.914
  360    HD2  LYS  45           HD2      LYS  45   4.542  -8.941  -1.195
  361    HD3  LYS  45           HD3      LYS  45   6.179  -9.506  -1.547
  362    HE2  LYS  45           HE2      LYS  45   5.667  -6.634  -0.717
  363    HE3  LYS  45           HE3      LYS  45   5.707  -7.921   0.496
  364    HZ1  LYS  45           HZ1      LYS  45   7.859  -6.900   0.245
  365    HZ2  LYS  45           HZ2      LYS  45   7.952  -8.459  -0.224
  366    HZ3  LYS  45           HZ3      LYS  45   7.942  -7.257  -1.345
  367    H    VAL  46           H        VAL  46   5.659  -9.232  -7.761
  368    HA   VAL  46           HA       VAL  46   3.638 -11.345  -8.188
  369    HB   VAL  46           HB       VAL  46   4.779 -11.680 -10.364
  370   HG11  VAL  46          HG11      VAL  46   3.926  -8.800  -9.876
  371   HG12  VAL  46          HG12      VAL  46   3.860  -9.690 -11.406
  372   HG13  VAL  46          HG13      VAL  46   2.806 -10.171 -10.065
  373   HG21  VAL  46          HG21      VAL  46   7.047 -10.792  -9.831
  374   HG22  VAL  46          HG22      VAL  46   6.322 -10.018 -11.241
  375   HG23  VAL  46          HG23      VAL  46   6.364  -9.154  -9.703
  376    H    TYR  47           H        TYR  47   4.005 -13.533  -7.876
  377    HA   TYR  47           HA       TYR  47   6.774 -14.479  -7.810
  378    HB2  TYR  47           HB2      TYR  47   6.735 -15.546  -5.774
  379    HB3  TYR  47           HB3      TYR  47   6.151 -13.939  -5.422
  380    HD1  TYR  47           HD2      TYR  47   5.231 -17.512  -5.706
  381    HD2  TYR  47           HD1      TYR  47   3.865 -13.578  -4.583
  382    HE1  TYR  47           HE2      TYR  47   3.321 -18.520  -4.527
  383    HE2  TYR  47           HE1      TYR  47   1.987 -14.607  -3.318
  384    HH   TYR  47           HH       TYR  47   1.388 -18.145  -3.364
  385    H    CYS  48           H        CYS  48   6.816 -16.948  -7.917
  386    HA   CYS  48           HA       CYS  48   4.416 -18.178  -8.946
  387    HB2  CYS  48           HB2      CYS  48   5.352 -18.808 -11.099
  388    HB3  CYS  48           HB3      CYS  48   5.365 -17.053 -10.938
  389    HG   CYS  48           HG       CYS  48   7.873 -16.845 -10.175
  390    H    ASN  49           H        ASN  49   6.070 -20.443 -10.070
  391    HA   ASN  49           HA       ASN  49   6.302 -21.971  -7.663
  392    HB2  ASN  49           HB2      ASN  49   5.891 -22.959  -9.904
  393    HB3  ASN  49           HB3      ASN  49   7.521 -22.500 -10.409
  394   HD21  ASN  49          HD22      ASN  49   5.606 -24.807  -8.554
  395   HD22  ASN  49          HD21      ASN  49   6.943 -25.825  -8.080
  396    H    ALA  50           H        ALA  50   8.773 -20.248  -9.617
  397    HA   ALA  50           HA       ALA  50  10.709 -20.553  -7.378
  398    HB1  ALA  50           HB1      ALA  50  11.276 -21.407 -10.252
  399    HB2  ALA  50           HB2      ALA  50  12.438 -21.389  -8.909
  400    HB3  ALA  50           HB3      ALA  50  11.054 -22.496  -8.865
  401    H    GLY  51           H        GLY  51   9.977 -18.945 -10.550
  402    HA2  GLY  51           HA2      GLY  51  10.423 -16.408  -9.753
  403    HA3  GLY  51           HA3      GLY  51  12.071 -16.942 -10.087
  404    H    ARG  52           H        ARG  52  11.115 -18.677 -12.451
  405    HA   ARG  52           HA       ARG  52  11.724 -16.683 -14.326
  406    HB2  ARG  52           HB2      ARG  52  11.404 -18.329 -16.063
  407    HB3  ARG  52           HB3      ARG  52  12.274 -19.003 -14.691
  408    HG2  ARG  52           HG2      ARG  52  10.140 -20.127 -13.943
  409    HG3  ARG  52           HG3      ARG  52   9.355 -19.520 -15.419
  410    HD2  ARG  52           HD2      ARG  52  11.019 -20.715 -16.800
  411    HD3  ARG  52           HD3      ARG  52  11.796 -21.335 -15.327
  412    HE   ARG  52           HE       ARG  52   9.042 -22.005 -15.244
  413   HH11  ARG  52          HH21      ARG  52  11.941 -22.879 -17.098
  414   HH12  ARG  52          HH22      ARG  52  11.396 -24.470 -17.474
  415   HH21  ARG  52          HH11      ARG  52   8.313 -24.128 -15.743
  416   HH22  ARG  52          HH12      ARG  52   9.285 -25.192 -16.683
  417    H    GLN  53           H        GLN  53   8.466 -18.063 -13.650
  418    HA   GLN  53           HA       GLN  53   7.270 -16.532 -15.788
  419    HB2  GLN  53           HB2      GLN  53   6.436 -18.715 -14.875
  420    HB3  GLN  53           HB3      GLN  53   5.880 -17.864 -13.422
  421    HG2  GLN  53           HG2      GLN  53   4.247 -16.646 -14.650
  422    HG3  GLN  53           HG3      GLN  53   4.986 -17.097 -16.199
  423   HE21  GLN  53          HE22      GLN  53   2.397 -17.929 -14.061
  424   HE22  GLN  53          HE21      GLN  53   2.086 -19.489 -14.772
  425    H    SER  54           H        SER  54   7.747 -15.959 -12.259
  426    HA   SER  54           HA       SER  54   6.137 -13.561 -12.268
  427    HB2  SER  54           HB2      SER  54   7.260 -13.203 -10.044
  428    HB3  SER  54           HB3      SER  54   6.373 -14.723 -10.237
  429    HG   SER  54           HG       SER  54   8.445 -15.094  -9.284
  430    H    GLY  55           H        GLY  55   9.554 -14.300 -13.012
  431    HA2  GLY  55           HA2      GLY  55  10.555 -11.649 -13.019
  432    HA3  GLY  55           HA3      GLY  55  11.144 -13.004 -14.010
  433    H    GLN  56           H        GLN  56   9.103 -13.622 -15.669
  434    HA   GLN  56           HA       GLN  56   8.959 -11.477 -17.566
  435    HB2  GLN  56           HB2      GLN  56   7.398 -14.074 -17.225
  436    HB3  GLN  56           HB3      GLN  56   7.115 -12.963 -18.572
  437    HG2  GLN  56           HG2      GLN  56   9.814 -14.251 -17.943
  438    HG3  GLN  56           HG3      GLN  56   8.661 -14.850 -19.128
  439   HE21  GLN  56          HE22      GLN  56  11.030 -12.272 -18.453
  440   HE22  GLN  56          HE21      GLN  56  10.993 -11.570 -20.046
  441    H    ALA  57           H        ALA  57   6.541 -12.638 -15.137
  442    HA   ALA  57           HA       ALA  57   4.541 -10.803 -15.771
  443    HB1  ALA  57           HB1      ALA  57   5.222 -11.652 -12.936
  444    HB2  ALA  57           HB2      ALA  57   3.645 -11.188 -13.589
  445    HB3  ALA  57           HB3      ALA  57   4.408 -12.706 -14.117
  446    H    LYS  58           H        LYS  58   7.412 -10.257 -13.628
  447    HA   LYS  58           HA       LYS  58   6.602  -7.758 -12.686
  448    HB2  LYS  58           HB2      LYS  58   8.443  -8.681 -11.591
  449    HB3  LYS  58           HB3      LYS  58   9.372  -8.895 -13.086
  450    HG2  LYS  58           HG2      LYS  58   9.745  -6.563 -13.335
  451    HG3  LYS  58           HG3      LYS  58   8.546  -6.129 -12.122
  452    HD2  LYS  58           HD2      LYS  58   9.904  -6.833 -10.329
  453    HD3  LYS  58           HD3      LYS  58  11.065  -7.663 -11.396
  454    HE2  LYS  58           HE2      LYS  58  10.516  -4.664 -11.510
  455    HE3  LYS  58           HE3      LYS  58  11.786  -5.371 -10.506
  456    HZ1  LYS  58           HZ1      LYS  58  11.666  -5.661 -13.476
  457    HZ2  LYS  58           HZ2      LYS  58  12.623  -4.623 -12.652
  458    HZ3  LYS  58           HZ3      LYS  58  12.843  -6.225 -12.485
  459    H    GLU  59           H        GLU  59   8.387  -8.621 -15.677
  460    HA   GLU  59           HA       GLU  59   8.840  -5.839 -16.388
  461    HB2  GLU  59           HB2      GLU  59   9.168  -8.427 -17.965
  462    HB3  GLU  59           HB3      GLU  59   9.671  -6.833 -18.534
  463    HG2  GLU  59           HG2      GLU  59  10.751  -8.276 -16.072
  464    HG3  GLU  59           HG3      GLU  59  11.569  -8.100 -17.615
  465    H    ILE  60           H        ILE  60   6.488  -8.350 -17.288
  466    HA   ILE  60           HA       ILE  60   5.093  -6.903 -19.283
  467    HB   ILE  60           HB       ILE  60   4.409  -9.116 -17.332
  468   HG12  ILE  60          HG12      ILE  60   4.524  -9.094 -20.383
  469   HG13  ILE  60          HG13      ILE  60   5.923  -9.440 -19.377
  470   HG21  ILE  60          HG21      ILE  60   2.252  -9.472 -18.485
  471   HG22  ILE  60          HG22      ILE  60   2.296  -7.961 -17.597
  472   HG23  ILE  60          HG23      ILE  60   2.489  -7.939 -19.365
  473   HD11  ILE  60          HD11      ILE  60   4.715 -11.377 -18.363
  474   HD12  ILE  60          HD12      ILE  60   3.379 -11.105 -19.509
  475   HD13  ILE  60          HD13      ILE  60   4.990 -11.526 -20.107
  476    H    LEU  61           H        LEU  61   4.516  -6.994 -15.689
  477    HA   LEU  61           HA       LEU  61   2.378  -5.096 -15.883
  478    HB2  LEU  61           HB2      LEU  61   4.121  -5.902 -13.531
  479    HB3  LEU  61           HB3      LEU  61   2.719  -4.835 -13.416
  480    HG   LEU  61           HG       LEU  61   2.729  -7.782 -14.144
  481   HD11  LEU  61          HD11      LEU  61   1.336  -7.991 -12.147
  482   HD12  LEU  61          HD12      LEU  61   2.847  -7.165 -11.740
  483   HD13  LEU  61          HD13      LEU  61   1.348  -6.226 -11.922
  484   HD21  LEU  61          HD21      LEU  61   0.186  -7.518 -14.219
  485   HD22  LEU  61          HD22      LEU  61   0.498  -5.780 -14.473
  486   HD23  LEU  61          HD23      LEU  61   1.100  -6.990 -15.626
  487    H    SER  62           H        SER  62   5.890  -4.705 -15.385
  488    HA   SER  62           HA       SER  62   5.801  -1.912 -14.775
  489    HB2  SER  62           HB2      SER  62   8.015  -3.513 -16.122
  490    HB3  SER  62           HB3      SER  62   8.178  -1.931 -15.339
  491    HG   SER  62           HG       SER  62   7.529  -4.435 -14.156
  492    H    GLU  63           H        GLU  63   6.064  -3.699 -17.912
  493    HA   GLU  63           HA       GLU  63   6.251  -1.385 -19.543
  494    HB2  GLU  63           HB2      GLU  63   6.875  -3.742 -20.167
  495    HB3  GLU  63           HB3      GLU  63   5.161  -4.153 -20.213
  496    HG2  GLU  63           HG2      GLU  63   5.900  -3.797 -22.455
  497    HG3  GLU  63           HG3      GLU  63   4.846  -2.457 -22.042
  498    H    MET  64           H        MET  64   3.461  -3.280 -18.319
  499    HA   MET  64           HA       MET  64   1.400  -1.880 -19.724
  500    HB2  MET  64           HB2      MET  64   1.440  -3.315 -17.046
  501    HB3  MET  64           HB3      MET  64  -0.012  -2.550 -17.685
  502    HG2  MET  64           HG2      MET  64  -0.107  -3.984 -19.565
  503    HG3  MET  64           HG3      MET  64   1.532  -4.578 -19.312
  504    HE1  MET  64           HE1      MET  64  -1.937  -5.697 -16.413
  505    HE2  MET  64           HE2      MET  64  -1.063  -4.162 -16.277
  506    HE3  MET  64           HE3      MET  64  -2.103  -4.473 -17.690
  507    H    GLY  65           H        GLY  65   3.260  -1.016 -16.827
  508    HA2  GLY  65           HA2      GLY  65   3.668   1.392 -16.728
  509    HA3  GLY  65           HA3      GLY  65   1.930   1.672 -16.849
  510    H    TYR  66           H        TYR  66   2.782  -1.048 -14.795
  511    HA   TYR  66           HA       TYR  66   1.980   0.401 -12.387
  512    HB2  TYR  66           HB2      TYR  66   3.046  -2.383 -12.910
  513    HB3  TYR  66           HB3      TYR  66   2.897  -1.715 -11.286
  514    HD1  TYR  66           HD1      TYR  66   0.815  -2.248 -14.395
  515    HD2  TYR  66           HD2      TYR  66   0.914  -1.967 -10.084
  516    HE1  TYR  66           HE1      TYR  66  -1.643  -2.554 -14.315
  517    HE2  TYR  66           HE2      TYR  66  -1.529  -2.364 -10.002
  518    HH   TYR  66           HH       TYR  66  -3.475  -2.439 -11.221
  519    H    THR  67           H        THR  67   3.340   1.282 -10.838
  520    HA   THR  67           HA       THR  67   6.071   1.868 -11.821
  521    HB   THR  67           HB       THR  67   5.644   3.933 -10.328
  522    HG1  THR  67           HG1      THR  67   3.514   4.347  -9.860
  523   HG21  THR  67          HG21      THR  67   5.523   3.961 -12.822
  524   HG22  THR  67          HG22      THR  67   3.803   3.526 -12.723
  525   HG23  THR  67          HG23      THR  67   4.371   5.074 -12.066
  526    H    HIS  68           H        HIS  68   4.645  -0.014  -9.378
  527    HA   HIS  68           HA       HIS  68   7.152   0.132  -7.809
  528    HB2  HIS  68           HB2      HIS  68   4.928   1.460  -6.979
  529    HB3  HIS  68           HB3      HIS  68   4.567  -0.119  -6.301
  530    HD1  HIS  68           HD1      HIS  68   5.829  -0.599  -3.973
  531    HD2  HIS  68           HD2      HIS  68   7.206   2.705  -6.200
  532    HE1  HIS  68           HE1      HIS  68   7.486   0.612  -2.490
  533    H    VAL  69           H        VAL  69   6.287  -1.757  -9.769
  534    HA   VAL  69           HA       VAL  69   5.300  -4.189  -8.592
  535    HB   VAL  69           HB       VAL  69   7.168  -3.884 -10.992
  536   HG11  VAL  69          HG11      VAL  69   6.983  -6.216 -10.316
  537   HG12  VAL  69          HG12      VAL  69   5.211  -6.081 -10.167
  538   HG13  VAL  69          HG13      VAL  69   5.989  -5.963 -11.756
  539   HG21  VAL  69          HG21      VAL  69   5.133  -3.896 -12.397
  540   HG22  VAL  69          HG22      VAL  69   4.122  -3.811 -10.934
  541   HG23  VAL  69          HG23      VAL  69   5.208  -2.466 -11.385
  542    H    GLU  70           H        GLU  70   6.468  -5.960  -7.724
  543    HA   GLU  70           HA       GLU  70   9.400  -5.677  -7.447
  544    HB2  GLU  70           HB2      GLU  70   8.211  -4.876  -5.338
  545    HB3  GLU  70           HB3      GLU  70   7.554  -6.517  -5.164
  546    HG2  GLU  70           HG2      GLU  70   9.807  -7.439  -5.009
  547    HG3  GLU  70           HG3      GLU  70  10.517  -5.861  -5.379
  548    H    ASN  71           H        ASN  71  10.414  -7.693  -7.694
  549    HA   ASN  71           HA       ASN  71   8.620  -9.993  -8.341
  550    HB2  ASN  71           HB2      ASN  71  10.330  -9.443 -10.061
  551    HB3  ASN  71           HB3      ASN  71  11.609  -9.639  -8.848
  552   HD21  ASN  71          HD22      ASN  71   9.114 -11.318 -10.778
  553   HD22  ASN  71          HD21      ASN  71   9.666 -12.939 -10.373
  554    H    ALA  72           H        ALA  72   8.447 -11.580  -6.854
  555    HA   ALA  72           HA       ALA  72  10.334 -11.564  -4.547
  556    HB1  ALA  72           HB1      ALA  72   7.377 -12.255  -4.634
  557    HB2  ALA  72           HB2      ALA  72   8.436 -12.364  -3.210
  558    HB3  ALA  72           HB3      ALA  72   8.111 -10.789  -3.948
  559    H    GLY  73           H        GLY  73  10.420 -13.091  -7.241
  560    HA2  GLY  73           HA2      GLY  73  11.220 -15.107  -7.910
  561    HA3  GLY  73           HA3      GLY  73  11.588 -15.442  -6.213
  562    H    GLY  74           H        GLY  74  10.490 -17.115  -5.284
  563    HA2  GLY  74           HA2      GLY  74   7.756 -17.703  -5.857
  564    HA3  GLY  74           HA3      GLY  74   8.847 -18.864  -6.641
  565    H    LEU  75           H        LEU  75   7.273 -19.994  -4.936
  566    HA   LEU  75           HA       LEU  75   7.445 -19.658  -2.217
  567    HB2  LEU  75           HB2      LEU  75   7.044 -22.288  -3.740
  568    HB3  LEU  75           HB3      LEU  75   6.760 -22.102  -2.030
  569    HG   LEU  75           HG       LEU  75   4.672 -22.123  -3.107
  570   HD11  LEU  75          HD11      LEU  75   4.875 -20.542  -1.215
  571   HD12  LEU  75          HD12      LEU  75   5.227 -19.221  -2.357
  572   HD13  LEU  75          HD13      LEU  75   3.654 -20.036  -2.388
  573   HD21  LEU  75          HD21      LEU  75   5.447 -21.406  -5.375
  574   HD22  LEU  75          HD22      LEU  75   3.957 -20.633  -4.829
  575   HD23  LEU  75          HD23      LEU  75   5.450 -19.719  -4.792
  576    H    LYS  76           H        LYS  76   9.750 -21.417  -4.185
  577    HA   LYS  76           HA       LYS  76  10.973 -22.883  -2.040
  578    HB2  LYS  76           HB2      LYS  76  11.884 -22.141  -4.863
  579    HB3  LYS  76           HB3      LYS  76  12.769 -23.261  -3.823
  580    HG2  LYS  76           HG2      LYS  76  11.010 -24.870  -3.826
  581    HG3  LYS  76           HG3      LYS  76   9.844 -23.742  -4.532
  582    HD2  LYS  76           HD2      LYS  76  11.054 -23.681  -6.636
  583    HD3  LYS  76           HD3      LYS  76  12.330 -24.736  -5.982
  584    HE2  LYS  76           HE2      LYS  76  10.782 -26.578  -5.722
  585    HE3  LYS  76           HE3      LYS  76   9.393 -25.545  -6.087
  586    HZ1  LYS  76           HZ1      LYS  76  10.118 -26.947  -7.964
  587    HZ2  LYS  76           HZ2      LYS  76  10.093 -25.357  -8.328
  588    HZ3  LYS  76           HZ3      LYS  76  11.527 -26.131  -8.053
  589    H    ASP  77           H        ASP  77  11.232 -19.565  -2.925
  590    HA   ASP  77           HA       ASP  77  13.808 -19.287  -1.424
  591    HB2  ASP  77           HB2      ASP  77  14.043 -18.946  -3.853
  592    HB3  ASP  77           HB3      ASP  77  12.764 -17.730  -3.815
  593    H    ILE  78           H        ILE  78  10.470 -18.361  -1.615
  594    HA   ILE  78           HA       ILE  78  10.657 -15.785  -0.353
  595    HB   ILE  78           HB       ILE  78   8.408 -17.811  -0.633
  596   HG12  ILE  78          HG12      ILE  78   8.834 -15.049  -1.877
  597   HG13  ILE  78          HG13      ILE  78   9.336 -16.542  -2.640
  598   HG21  ILE  78          HG21      ILE  78   8.235 -15.015   0.604
  599   HG22  ILE  78          HG22      ILE  78   6.843 -15.978   0.100
  600   HG23  ILE  78          HG23      ILE  78   7.863 -16.568   1.395
  601   HD11  ILE  78          HD11      ILE  78   6.899 -17.314  -2.530
  602   HD12  ILE  78          HD12      ILE  78   6.522 -15.610  -2.156
  603   HD13  ILE  78          HD13      ILE  78   7.325 -16.024  -3.667
  604    H    ALA  79           H        ALA  79  10.534 -15.198   1.774
  605    HA   ALA  79           HA       ALA  79  10.947 -17.284   3.862
  606    HB1  ALA  79           HB1      ALA  79  12.327 -14.577   3.579
  607    HB2  ALA  79           HB2      ALA  79  12.529 -15.723   4.923
  608    HB3  ALA  79           HB3      ALA  79  13.070 -16.168   3.294
  609    H    MET  80           H        MET  80   8.489 -16.891   3.525
  610    HA   MET  80           HA       MET  80   7.463 -14.967   5.493
  611    HB2  MET  80           HB2      MET  80   7.523 -14.012   3.068
  612    HB3  MET  80           HB3      MET  80   6.289 -15.204   2.679
  613    HG2  MET  80           HG2      MET  80   6.026 -13.078   4.833
  614    HG3  MET  80           HG3      MET  80   5.545 -12.866   3.153
  615    HE1  MET  80           HE1      MET  80   3.651 -12.289   5.661
  616    HE2  MET  80           HE2      MET  80   3.197 -11.996   3.963
  617    HE3  MET  80           HE3      MET  80   2.116 -12.924   5.027
  618    HA   PRO  81           HA       PRO  81   5.467 -18.780   6.480
  619    HB2  PRO  81           HB2      PRO  81   2.958 -17.932   7.453
  620    HB3  PRO  81           HB3      PRO  81   4.489 -18.042   8.370
  621    HG2  PRO  81           HG2      PRO  81   3.287 -15.630   7.000
  622    HG3  PRO  81           HG3      PRO  81   4.056 -15.725   8.617
  623    HD2  PRO  81           HD2      PRO  81   5.445 -14.767   6.532
  624    HD3  PRO  81           HD3      PRO  81   6.235 -15.897   7.660
  625    H    LYS  82           H        LYS  82   3.835 -20.287   5.895
  626    HA   LYS  82           HA       LYS  82   2.639 -19.708   3.216
  627    HB2  LYS  82           HB2      LYS  82   3.559 -22.374   4.373
  628    HB3  LYS  82           HB3      LYS  82   2.981 -22.084   2.742
  629    HG2  LYS  82           HG2      LYS  82   5.603 -21.076   3.915
  630    HG3  LYS  82           HG3      LYS  82   5.361 -22.438   2.813
  631    HD2  LYS  82           HD2      LYS  82   4.493 -20.868   1.076
  632    HD3  LYS  82           HD3      LYS  82   4.764 -19.513   2.171
  633    HE2  LYS  82           HE2      LYS  82   6.557 -19.672   0.514
  634    HE3  LYS  82           HE3      LYS  82   7.177 -19.867   2.153
  635    HZ1  LYS  82           HZ1      LYS  82   7.502 -22.153   1.778
  636    HZ2  LYS  82           HZ2      LYS  82   6.555 -22.211   0.446
  637    HZ3  LYS  82           HZ3      LYS  82   8.029 -21.457   0.393
  638    H    VAL  83           H        VAL  83   0.818 -21.083   2.686
  639    HA   VAL  83           HA       VAL  83  -0.730 -22.281   4.897
  640    HB   VAL  83           HB       VAL  83  -1.797 -20.460   2.686
  641   HG11  VAL  83          HG11      VAL  83  -3.340 -22.359   3.010
  642   HG12  VAL  83          HG12      VAL  83  -3.340 -22.084   4.768
  643   HG13  VAL  83          HG13      VAL  83  -4.044 -20.882   3.665
  644   HG21  VAL  83          HG21      VAL  83  -2.683 -19.077   4.535
  645   HG22  VAL  83          HG22      VAL  83  -1.928 -20.164   5.721
  646   HG23  VAL  83          HG23      VAL  83  -0.923 -19.196   4.628
  647    H    LYS  84           H        LYS  84  -1.601 -24.288   4.147
  648    HA   LYS  84           HA       LYS  84  -0.574 -25.221   1.503
  649    HB2  LYS  84           HB2      LYS  84  -0.259 -26.533   4.228
  650    HB3  LYS  84           HB3      LYS  84   0.132 -27.303   2.693
  651    HG2  LYS  84           HG2      LYS  84   1.970 -25.767   2.278
  652    HG3  LYS  84           HG3      LYS  84   1.540 -24.769   3.677
  653    HD2  LYS  84           HD2      LYS  84   1.916 -26.673   5.193
  654    HD3  LYS  84           HD3      LYS  84   2.363 -27.710   3.841
  655    HE2  LYS  84           HE2      LYS  84   3.851 -25.133   4.525
  656    HE3  LYS  84           HE3      LYS  84   4.225 -26.681   5.284
  657    HZ1  LYS  84           HZ1      LYS  84   5.671 -26.375   3.454
  658    HZ2  LYS  84           HZ2      LYS  84   4.656 -27.578   3.043
  659    HZ3  LYS  84           HZ3      LYS  84   4.478 -26.074   2.391
  660    H    GLY  85           H        GLY  85  -1.704 -27.007   0.650
  661    HA2  GLY  85           HA2      GLY  85  -4.509 -27.164   1.039
  662    HA3  GLY  85           HA3      GLY  85  -3.499 -28.352   0.198
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1   0.941   0.866   1.663
    2    H2   ALA   1           H2       ALA   1   1.065  -0.766   1.712
    3    H3   ALA   1           H3       ALA   1   2.385   0.139   1.378
    4    HA   ALA   1           HA       ALA   1  -0.003  -0.089  -0.325
    5    HB1  ALA   1           HB1      ALA   1   1.001   2.151  -0.491
    6    HB2  ALA   1           HB2      ALA   1   2.592   1.436  -0.836
    7    HB3  ALA   1           HB3      ALA   1   1.254   1.233  -1.979
    8    H    GLU   2           H        GLU   2   0.239  -2.491  -0.122
    9    HA   GLU   2           HA       GLU   2   2.255  -3.625  -1.919
   10    HB2  GLU   2           HB2      GLU   2   3.444  -3.488   0.249
   11    HB3  GLU   2           HB3      GLU   2   2.100  -4.308   1.054
   12    HG2  GLU   2           HG2      GLU   2   2.550  -6.325  -0.412
   13    HG3  GLU   2           HG3      GLU   2   3.951  -5.472  -1.063
   14    H    HIS   3           H        HIS   3   1.497  -5.536  -2.772
   15    HA   HIS   3           HA       HIS   3  -0.661  -7.070  -1.501
   16    HB2  HIS   3           HB2      HIS   3  -0.650  -6.317  -4.462
   17    HB3  HIS   3           HB3      HIS   3  -1.750  -7.450  -3.688
   18    HD1  HIS   3           HD1      HIS   3  -3.039  -5.869  -1.373
   19    HD2  HIS   3           HD2      HIS   3  -1.963  -4.226  -5.092
   20    HE1  HIS   3           HE1      HIS   3  -4.493  -3.806  -1.687
   21    H    TRP   4           H        TRP   4  -0.630  -9.309  -2.553
   22    HA   TRP   4           HA       TRP   4   1.952  -9.934  -3.893
   23    HB2  TRP   4           HB2      TRP   4   0.605 -11.411  -1.588
   24    HB3  TRP   4           HB3      TRP   4   1.835 -12.129  -2.615
   25    HD1  TRP   4           HD1      TRP   4   1.494  -9.131  -0.192
   26    HE1  TRP   4           HE1      TRP   4   3.711  -8.708   0.965
   27    HE3  TRP   4           HE3      TRP   4   4.293 -12.717  -2.576
   28    HZ2  TRP   4           HZ2      TRP   4   6.384  -9.901   0.963
   29    HZ3  TRP   4           HZ3      TRP   4   6.643 -13.071  -1.937
   30    HH2  TRP   4           HH2      TRP   4   7.718 -11.651  -0.203
   31    H    ILE   5           H        ILE   5   1.433 -10.765  -5.831
   32    HA   ILE   5           HA       ILE   5  -1.130 -12.250  -6.149
   33    HB   ILE   5           HB       ILE   5   0.109 -10.477  -8.275
   34   HG12  ILE   5          HG12      ILE   5  -0.598  -8.970  -6.455
   35   HG13  ILE   5          HG13      ILE   5  -1.510  -8.771  -7.937
   36   HG21  ILE   5          HG21      ILE   5  -2.169 -10.730  -9.296
   37   HG22  ILE   5          HG22      ILE   5  -1.296 -12.263  -9.135
   38   HG23  ILE   5          HG23      ILE   5  -2.598 -11.861  -7.998
   39   HD11  ILE   5          HD11      ILE   5  -2.490 -10.162  -5.434
   40   HD12  ILE   5          HD12      ILE   5  -2.927  -8.540  -5.980
   41   HD13  ILE   5          HD13      ILE   5  -3.439  -9.945  -6.929
   42    H    ASP   6           H        ASP   6  -0.359 -14.252  -6.101
   43    HA   ASP   6           HA       ASP   6   2.135 -15.233  -7.158
   44    HB2  ASP   6           HB2      ASP   6   0.699 -16.363  -5.443
   45    HB3  ASP   6           HB3      ASP   6  -0.559 -16.539  -6.644
   46    H    VAL   7           H        VAL   7   2.606 -15.691  -9.300
   47    HA   VAL   7           HA       VAL   7   0.384 -15.498 -11.283
   48    HB   VAL   7           HB       VAL   7   1.967 -14.747 -12.909
   49   HG11  VAL   7          HG11      VAL   7   0.851 -13.087 -11.428
   50   HG12  VAL   7          HG12      VAL   7   2.297 -13.066 -10.400
   51   HG13  VAL   7          HG13      VAL   7   2.402 -12.528 -12.084
   52   HG21  VAL   7          HG21      VAL   7   4.275 -14.281 -12.494
   53   HG22  VAL   7          HG22      VAL   7   4.134 -14.675 -10.772
   54   HG23  VAL   7          HG23      VAL   7   4.008 -15.944 -12.013
   55    H    ARG   8           H        ARG   8   1.931 -17.797  -9.690
   56    HA   ARG   8           HA       ARG   8   2.761 -19.738 -11.632
   57    HB2  ARG   8           HB2      ARG   8   3.040 -19.581  -9.076
   58    HB3  ARG   8           HB3      ARG   8   1.325 -20.030  -8.975
   59    HG2  ARG   8           HG2      ARG   8   1.888 -22.265  -9.743
   60    HG3  ARG   8           HG3      ARG   8   3.574 -21.753 -10.031
   61    HD2  ARG   8           HD2      ARG   8   2.999 -23.013  -7.813
   62    HD3  ARG   8           HD3      ARG   8   4.090 -21.635  -7.770
   63    HE   ARG   8           HE       ARG   8   1.900 -20.311  -7.187
   64   HH11  ARG   8          HH21      ARG   8   2.783 -23.524  -5.842
   65   HH12  ARG   8          HH22      ARG   8   1.805 -23.255  -4.422
   66   HH21  ARG   8          HH11      ARG   8   0.809 -20.017  -5.349
   67   HH22  ARG   8          HH12      ARG   8   0.806 -21.245  -4.061
   68    H    VAL   9           H        VAL   9   1.464 -21.759 -12.099
   69    HA   VAL   9           HA       VAL   9  -1.195 -21.241 -12.944
   70    HB   VAL   9           HB       VAL   9  -1.338 -23.737 -13.224
   71   HG11  VAL   9          HG11      VAL   9   0.299 -23.859 -15.029
   72   HG12  VAL   9          HG12      VAL   9  -0.465 -22.263 -15.008
   73   HG13  VAL   9          HG13      VAL   9   1.185 -22.467 -14.378
   74   HG21  VAL   9          HG21      VAL   9   1.550 -23.786 -12.222
   75   HG22  VAL   9          HG22      VAL   9   0.145 -24.445 -11.355
   76   HG23  VAL   9          HG23      VAL   9   0.629 -25.137 -12.906
   77    HA   PRO  10           HA       PRO  10  -3.275 -21.291  -9.182
   78    HB2  PRO  10           HB2      PRO  10  -5.855 -21.881  -9.821
   79    HB3  PRO  10           HB3      PRO  10  -5.016 -20.407 -10.426
   80    HG2  PRO  10           HG2      PRO  10  -5.358 -23.051 -11.871
   81    HG3  PRO  10           HG3      PRO  10  -5.748 -21.402 -12.467
   82    HD2  PRO  10           HD2      PRO  10  -3.380 -22.580 -13.062
   83    HD3  PRO  10           HD3      PRO  10  -3.470 -20.836 -12.679
   84    H    GLU  11           H        GLU  11  -3.240 -24.341 -10.921
   85    HA   GLU  11           HA       GLU  11  -4.467 -26.032  -9.004
   86    HB2  GLU  11           HB2      GLU  11  -2.186 -26.581 -10.952
   87    HB3  GLU  11           HB3      GLU  11  -3.069 -27.820 -10.046
   88    HG2  GLU  11           HG2      GLU  11  -5.196 -27.068 -11.120
   89    HG3  GLU  11           HG3      GLU  11  -4.286 -25.901 -12.082
   90    H    GLN  12           H        GLN  12  -1.160 -24.638  -9.110
   91    HA   GLN  12           HA       GLN  12  -0.242 -26.324  -6.901
   92    HB2  GLN  12           HB2      GLN  12   0.998 -23.983  -8.369
   93    HB3  GLN  12           HB3      GLN  12   1.790 -24.914  -7.078
   94    HG2  GLN  12           HG2      GLN  12   1.620 -26.978  -8.415
   95    HG3  GLN  12           HG3      GLN  12   0.815 -26.094  -9.708
   96   HE21  GLN  12          HE22      GLN  12   2.464 -26.556 -11.278
   97   HE22  GLN  12          HE21      GLN  12   4.050 -25.839 -11.176
   98    H    TYR  13           H        TYR  13  -1.603 -23.048  -7.294
   99    HA   TYR  13           HA       TYR  13  -1.075 -22.072  -4.659
  100    HB2  TYR  13           HB2      TYR  13  -1.861 -20.666  -6.502
  101    HB3  TYR  13           HB3      TYR  13  -3.371 -21.550  -6.578
  102    HD1  TYR  13           HD2      TYR  13  -1.415 -19.075  -4.641
  103    HD2  TYR  13           HD1      TYR  13  -5.192 -21.126  -5.019
  104    HE1  TYR  13           HE2      TYR  13  -2.471 -17.373  -3.197
  105    HE2  TYR  13           HE1      TYR  13  -6.254 -19.440  -3.551
  106    HH   TYR  13           HH       TYR  13  -4.439 -16.627  -2.222
  107    H    GLN  14           H        GLN  14  -3.589 -24.225  -5.944
  108    HA   GLN  14           HA       GLN  14  -5.026 -24.449  -3.452
  109    HB2  GLN  14           HB2      GLN  14  -4.992 -26.084  -6.017
  110    HB3  GLN  14           HB3      GLN  14  -6.091 -26.417  -4.677
  111    HG2  GLN  14           HG2      GLN  14  -7.201 -24.316  -4.888
  112    HG3  GLN  14           HG3      GLN  14  -5.964 -23.654  -5.950
  113   HE21  GLN  14          HE22      GLN  14  -5.905 -24.210  -8.146
  114   HE22  GLN  14          HE21      GLN  14  -7.245 -25.030  -8.942
  115    H    GLN  15           H        GLN  15  -1.887 -25.463  -4.034
  116    HA   GLN  15           HA       GLN  15  -2.180 -27.797  -2.200
  117    HB2  GLN  15           HB2      GLN  15   0.282 -27.189  -3.849
  118    HB3  GLN  15           HB3      GLN  15  -0.122 -28.656  -2.964
  119    HG2  GLN  15           HG2      GLN  15  -1.235 -27.638  -5.570
  120    HG3  GLN  15           HG3      GLN  15  -0.366 -29.130  -5.293
  121   HE21  GLN  15          HE22      GLN  15  -3.266 -28.096  -6.203
  122   HE22  GLN  15          HE21      GLN  15  -4.316 -29.301  -5.469
  123    H    GLU  16           H        GLU  16  -0.228 -24.856  -2.901
  124    HA   GLU  16           HA       GLU  16  -0.185 -24.231  -0.072
  125    HB2  GLU  16           HB2      GLU  16   1.776 -25.775  -0.290
  126    HB3  GLU  16           HB3      GLU  16   2.463 -24.700  -1.512
  127    HG2  GLU  16           HG2      GLU  16   2.517 -22.870   0.252
  128    HG3  GLU  16           HG3      GLU  16   1.942 -24.034   1.421
  129    H    HIS  17           H        HIS  17   0.158 -21.989   0.238
  130    HA   HIS  17           HA       HIS  17   1.374 -20.377  -1.857
  131    HB2  HIS  17           HB2      HIS  17  -0.558 -18.777  -1.921
  132    HB3  HIS  17           HB3      HIS  17  -0.829 -20.328  -2.702
  133    HD1  HIS  17           HD1      HIS  17  -2.760 -21.878  -1.710
  134    HD2  HIS  17           HD2      HIS  17  -2.160 -18.154   0.152
  135    HE1  HIS  17           HE1      HIS  17  -4.789 -21.479  -0.227
  136    H    VAL  18           H        VAL  18   1.746 -18.145  -1.085
  137    HA   VAL  18           HA       VAL  18   2.602 -18.027   1.668
  138    HB   VAL  18           HB       VAL  18   2.171 -15.794  -0.376
  139   HG11  VAL  18          HG11      VAL  18   3.828 -14.540   1.011
  140   HG12  VAL  18          HG12      VAL  18   2.335 -14.868   1.891
  141   HG13  VAL  18          HG13      VAL  18   3.783 -15.847   2.217
  142   HG21  VAL  18          HG21      VAL  18   4.623 -15.939  -0.730
  143   HG22  VAL  18          HG22      VAL  18   4.677 -17.392   0.302
  144   HG23  VAL  18          HG23      VAL  18   3.797 -17.398  -1.241
  145    H    GLN  19           H        GLN  19   1.519 -17.215   3.436
  146    HA   GLN  19           HA       GLN  19  -1.265 -17.358   3.537
  147    HB2  GLN  19           HB2      GLN  19   0.279 -17.586   5.449
  148    HB3  GLN  19           HB3      GLN  19   0.669 -15.864   5.363
  149    HG2  GLN  19           HG2      GLN  19  -1.675 -15.298   5.930
  150    HG3  GLN  19           HG3      GLN  19  -2.103 -17.013   5.928
  151   HE21  GLN  19          HE22      GLN  19  -0.117 -14.527   7.615
  152   HE22  GLN  19          HE21      GLN  19   0.008 -15.406   9.116
  153    H    GLY  20           H        GLY  20  -2.807 -16.095   2.730
  154    HA2  GLY  20           HA2      GLY  20  -4.079 -14.209   2.489
  155    HA3  GLY  20           HA3      GLY  20  -2.742 -13.212   3.069
  156    H    ALA  21           H        ALA  21  -1.392 -15.029   0.563
  157    HA   ALA  21           HA       ALA  21  -1.438 -12.758  -1.256
  158    HB1  ALA  21           HB1      ALA  21   0.535 -14.207  -1.088
  159    HB2  ALA  21           HB2      ALA  21  -0.433 -15.612  -1.610
  160    HB3  ALA  21           HB3      ALA  21  -0.145 -14.260  -2.729
  161    H    ILE  22           H        ILE  22  -2.334 -12.710  -3.344
  162    HA   ILE  22           HA       ILE  22  -4.772 -14.341  -3.817
  163    HB   ILE  22           HB       ILE  22  -3.612 -12.207  -5.634
  164   HG12  ILE  22          HG12      ILE  22  -3.734 -10.998  -3.549
  165   HG13  ILE  22          HG13      ILE  22  -4.972 -10.453  -4.650
  166   HG21  ILE  22          HG21      ILE  22  -5.444 -13.407  -6.646
  167   HG22  ILE  22          HG22      ILE  22  -6.460 -13.193  -5.207
  168   HG23  ILE  22          HG23      ILE  22  -6.018 -11.806  -6.225
  169   HD11  ILE  22          HD11      ILE  22  -6.703 -11.708  -3.394
  170   HD12  ILE  22          HD12      ILE  22  -5.455 -12.347  -2.297
  171   HD13  ILE  22          HD13      ILE  22  -5.808 -10.611  -2.332
  172    H    ASN  23           H        ASN  23  -4.867 -15.363  -6.072
  173    HA   ASN  23           HA       ASN  23  -2.267 -15.642  -7.424
  174    HB2  ASN  23           HB2      ASN  23  -2.422 -17.796  -6.434
  175    HB3  ASN  23           HB3      ASN  23  -4.134 -17.976  -6.851
  176   HD21  ASN  23          HD22      ASN  23  -0.908 -18.753  -7.855
  177   HD22  ASN  23          HD21      ASN  23  -1.266 -19.058  -9.550
  178    H    ILE  24           H        ILE  24  -2.405 -15.163  -9.455
  179    HA   ILE  24           HA       ILE  24  -4.881 -15.603 -10.919
  180    HB   ILE  24           HB       ILE  24  -3.535 -12.877 -11.153
  181   HG12  ILE  24          HG12      ILE  24  -6.169 -13.468  -9.748
  182   HG13  ILE  24          HG13      ILE  24  -4.675 -12.935  -8.965
  183   HG21  ILE  24          HG21      ILE  24  -4.516 -13.811 -13.167
  184   HG22  ILE  24          HG22      ILE  24  -6.078 -14.025 -12.332
  185   HG23  ILE  24          HG23      ILE  24  -5.405 -12.404 -12.612
  186   HD11  ILE  24          HD11      ILE  24  -6.072 -11.035  -9.140
  187   HD12  ILE  24          HD12      ILE  24  -4.760 -10.818 -10.312
  188   HD13  ILE  24          HD13      ILE  24  -6.384 -11.313 -10.856
  189    HA   PRO  25           HA       PRO  25  -1.154 -17.239 -12.794
  190    HB2  PRO  25           HB2      PRO  25  -2.166 -18.431 -15.058
  191    HB3  PRO  25           HB3      PRO  25  -2.349 -19.094 -13.401
  192    HG2  PRO  25           HG2      PRO  25  -4.344 -17.435 -14.956
  193    HG3  PRO  25           HG3      PRO  25  -4.631 -18.958 -14.057
  194    HD2  PRO  25           HD2      PRO  25  -5.156 -16.518 -12.963
  195    HD3  PRO  25           HD3      PRO  25  -4.502 -17.856 -11.967
  196    H    LEU  26           H        LEU  26   0.305 -16.636 -14.437
  197    HA   LEU  26           HA       LEU  26   0.386 -13.987 -14.885
  198    HB2  LEU  26           HB2      LEU  26   2.273 -15.592 -15.009
  199    HB3  LEU  26           HB3      LEU  26   1.721 -16.138 -16.587
  200    HG   LEU  26           HG       LEU  26   2.275 -14.008 -17.612
  201   HD11  LEU  26          HD11      LEU  26   2.807 -13.069 -14.766
  202   HD12  LEU  26          HD12      LEU  26   3.484 -12.243 -16.192
  203   HD13  LEU  26          HD13      LEU  26   1.743 -12.339 -15.986
  204   HD21  LEU  26          HD21      LEU  26   4.706 -14.029 -17.256
  205   HD22  LEU  26          HD22      LEU  26   4.494 -14.885 -15.713
  206   HD23  LEU  26          HD23      LEU  26   4.080 -15.686 -17.245
  207    H    LYS  27           H        LYS  27  -0.914 -16.275 -17.319
  208    HA   LYS  27           HA       LYS  27  -1.176 -14.462 -19.460
  209    HB2  LYS  27           HB2      LYS  27  -1.432 -16.927 -19.602
  210    HB3  LYS  27           HB3      LYS  27  -2.953 -16.829 -18.699
  211    HG2  LYS  27           HG2      LYS  27  -3.969 -15.505 -20.509
  212    HG3  LYS  27           HG3      LYS  27  -2.421 -15.487 -21.383
  213    HD2  LYS  27           HD2      LYS  27  -2.528 -17.968 -21.603
  214    HD3  LYS  27           HD3      LYS  27  -4.031 -17.982 -20.675
  215    HE2  LYS  27           HE2      LYS  27  -4.616 -18.187 -22.985
  216    HE3  LYS  27           HE3      LYS  27  -5.131 -16.594 -22.431
  217    HZ1  LYS  27           HZ1      LYS  27  -4.054 -16.507 -24.595
  218    HZ2  LYS  27           HZ2      LYS  27  -3.169 -15.660 -23.524
  219    HZ3  LYS  27           HZ3      LYS  27  -2.678 -17.145 -24.008
  220    H    GLU  28           H        GLU  28  -3.303 -15.041 -16.636
  221    HA   GLU  28           HA       GLU  28  -5.342 -13.208 -17.664
  222    HB2  GLU  28           HB2      GLU  28  -5.210 -15.396 -15.734
  223    HB3  GLU  28           HB3      GLU  28  -5.858 -13.953 -14.958
  224    HG2  GLU  28           HG2      GLU  28  -7.564 -13.696 -16.647
  225    HG3  GLU  28           HG3      GLU  28  -6.860 -15.011 -17.612
  226    H    VAL  29           H        VAL  29  -2.771 -13.205 -15.173
  227    HA   VAL  29           HA       VAL  29  -3.747 -11.004 -13.746
  228    HB   VAL  29           HB       VAL  29  -1.751 -12.617 -13.305
  229   HG11  VAL  29          HG11      VAL  29  -0.106 -10.235 -14.226
  230   HG12  VAL  29          HG12      VAL  29   0.471 -11.747 -13.506
  231   HG13  VAL  29          HG13      VAL  29  -0.260 -11.756 -15.114
  232   HG21  VAL  29          HG21      VAL  29  -1.543  -9.728 -12.342
  233   HG22  VAL  29          HG22      VAL  29  -2.705 -10.900 -11.708
  234   HG23  VAL  29          HG23      VAL  29  -0.968 -11.182 -11.503
  235    H    LYS  30           H        LYS  30  -1.841 -11.051 -16.682
  236    HA   LYS  30           HA       LYS  30  -1.258  -8.292 -16.822
  237    HB2  LYS  30           HB2      LYS  30  -0.346 -10.333 -18.178
  238    HB3  LYS  30           HB3      LYS  30  -1.735 -10.093 -19.240
  239    HG2  LYS  30           HG2      LYS  30  -0.946  -7.754 -19.691
  240    HG3  LYS  30           HG3      LYS  30   0.412  -8.012 -18.581
  241    HD2  LYS  30           HD2      LYS  30   1.290  -9.789 -20.058
  242    HD3  LYS  30           HD3      LYS  30  -0.137  -9.647 -21.107
  243    HE2  LYS  30           HE2      LYS  30   0.467  -7.281 -21.600
  244    HE3  LYS  30           HE3      LYS  30   1.912  -7.440 -20.598
  245    HZ1  LYS  30           HZ1      LYS  30   2.417  -7.759 -22.936
  246    HZ2  LYS  30           HZ2      LYS  30   2.698  -9.157 -22.146
  247    HZ3  LYS  30           HZ3      LYS  30   1.358  -8.988 -23.067
  248    H    GLU  31           H        GLU  31  -4.355  -9.695 -17.040
  249    HA   GLU  31           HA       GLU  31  -5.418  -7.107 -18.112
  250    HB2  GLU  31           HB2      GLU  31  -6.681  -9.880 -18.072
  251    HB3  GLU  31           HB3      GLU  31  -7.522  -8.402 -18.527
  252    HG2  GLU  31           HG2      GLU  31  -5.145  -9.660 -19.965
  253    HG3  GLU  31           HG3      GLU  31  -6.821  -9.688 -20.493
  254    H    ARG  32           H        ARG  32  -5.885  -9.748 -15.755
  255    HA   ARG  32           HA       ARG  32  -7.972  -8.466 -14.332
  256    HB2  ARG  32           HB2      ARG  32  -6.203 -10.821 -13.735
  257    HB3  ARG  32           HB3      ARG  32  -7.399 -10.228 -12.571
  258    HG2  ARG  32           HG2      ARG  32  -9.188 -10.392 -14.318
  259    HG3  ARG  32           HG3      ARG  32  -7.999 -11.076 -15.438
  260    HD2  ARG  32           HD2      ARG  32  -9.308 -12.843 -14.446
  261    HD3  ARG  32           HD3      ARG  32  -7.621 -12.947 -13.905
  262    HE   ARG  32           HE       ARG  32  -9.265 -11.452 -12.061
  263   HH11  ARG  32          HH11      ARG  32  -8.605 -14.807 -13.070
  264   HH12  ARG  32          HH12      ARG  32  -8.905 -15.469 -11.495
  265   HH21  ARG  32          HH21      ARG  32  -9.666 -12.349  -9.979
  266   HH22  ARG  32          HH22      ARG  32  -9.541 -14.045  -9.718
  267    H    ILE  33           H        ILE  33  -4.480  -8.027 -13.983
  268    HA   ILE  33           HA       ILE  33  -4.576  -7.142 -11.280
  269    HB   ILE  33           HB       ILE  33  -2.476  -7.627 -12.590
  270   HG12  ILE  33          HG12      ILE  33  -1.169  -5.658 -11.547
  271   HG13  ILE  33          HG13      ILE  33  -2.717  -5.095 -10.918
  272   HG21  ILE  33          HG21      ILE  33  -1.454  -5.940 -13.964
  273   HG22  ILE  33          HG22      ILE  33  -3.048  -6.295 -14.626
  274   HG23  ILE  33          HG23      ILE  33  -2.785  -4.813 -13.689
  275   HD11  ILE  33          HD11      ILE  33  -3.012  -7.300  -9.761
  276   HD12  ILE  33          HD12      ILE  33  -1.440  -7.822 -10.407
  277   HD13  ILE  33          HD13      ILE  33  -1.529  -6.467  -9.268
  278    H    ALA  34           H        ALA  34  -5.473  -5.537 -14.348
  279    HA   ALA  34           HA       ALA  34  -5.656  -2.919 -13.294
  280    HB1  ALA  34           HB1      ALA  34  -7.383  -4.195 -15.466
  281    HB2  ALA  34           HB2      ALA  34  -7.137  -2.457 -15.205
  282    HB3  ALA  34           HB3      ALA  34  -5.775  -3.471 -15.725
  283    H    THR  35           H        THR  35  -7.923  -5.635 -13.034
  284    HA   THR  35           HA       THR  35  -9.952  -3.986 -11.709
  285    HB   THR  35           HB       THR  35 -10.870  -6.501 -11.434
  286    HG1  THR  35           HG1      THR  35  -8.978  -7.454 -12.348
  287   HG21  THR  35          HG21      THR  35 -11.964  -4.717 -12.744
  288   HG22  THR  35          HG22      THR  35 -10.812  -4.968 -14.075
  289   HG23  THR  35          HG23      THR  35 -11.972  -6.245 -13.638
  290    H    ALA  36           H        ALA  36  -7.411  -6.288 -10.791
  291    HA   ALA  36           HA       ALA  36  -8.401  -6.585  -8.072
  292    HB1  ALA  36           HB1      ALA  36  -5.729  -7.394  -9.303
  293    HB2  ALA  36           HB2      ALA  36  -6.382  -7.949  -7.750
  294    HB3  ALA  36           HB3      ALA  36  -7.197  -8.398  -9.259
  295    H    VAL  37           H        VAL  37  -5.976  -4.589  -9.672
  296    HA   VAL  37           HA       VAL  37  -5.434  -3.045  -7.215
  297    HB   VAL  37           HB       VAL  37  -3.229  -4.036  -9.064
  298   HG11  VAL  37          HG11      VAL  37  -1.755  -3.225  -7.260
  299   HG12  VAL  37          HG12      VAL  37  -2.769  -1.928  -7.876
  300   HG13  VAL  37          HG13      VAL  37  -3.183  -2.687  -6.335
  301   HG21  VAL  37          HG21      VAL  37  -2.487  -5.516  -7.220
  302   HG22  VAL  37          HG22      VAL  37  -4.032  -5.215  -6.387
  303   HG23  VAL  37          HG23      VAL  37  -3.989  -6.030  -7.970
  304    HA   PRO  38           HA       PRO  38  -6.362  -0.669 -11.123
  305    HB2  PRO  38           HB2      PRO  38  -8.191   1.117 -10.055
  306    HB3  PRO  38           HB3      PRO  38  -8.625  -0.487 -10.711
  307    HG2  PRO  38           HG2      PRO  38  -8.154   0.281  -7.820
  308    HG3  PRO  38           HG3      PRO  38  -9.487  -0.702  -8.507
  309    HD2  PRO  38           HD2      PRO  38  -7.304  -1.852  -7.342
  310    HD3  PRO  38           HD3      PRO  38  -8.075  -2.583  -8.781
  311    H    ASP  39           H        ASP  39  -5.582   0.325  -7.784
  312    HA   ASP  39           HA       ASP  39  -4.411   2.882  -8.635
  313    HB2  ASP  39           HB2      ASP  39  -5.445   2.783  -6.448
  314    HB3  ASP  39           HB3      ASP  39  -4.385   1.456  -5.958
  315    H    LYS  40           H        LYS  40  -2.787   2.462 -10.040
  316    HA   LYS  40           HA       LYS  40  -0.969   0.325  -9.945
  317    HB2  LYS  40           HB2      LYS  40  -0.822   3.069 -11.265
  318    HB3  LYS  40           HB3      LYS  40   0.380   1.814 -11.524
  319    HG2  LYS  40           HG2      LYS  40  -1.498   0.248 -12.221
  320    HG3  LYS  40           HG3      LYS  40  -2.584   1.645 -12.192
  321    HD2  LYS  40           HD2      LYS  40  -1.134   2.768 -13.890
  322    HD3  LYS  40           HD3      LYS  40  -0.085   1.329 -13.913
  323    HE2  LYS  40           HE2      LYS  40  -2.038  -0.067 -14.589
  324    HE3  LYS  40           HE3      LYS  40  -3.055   1.380 -14.614
  325    HZ1  LYS  40           HZ1      LYS  40  -1.605   2.261 -16.373
  326    HZ2  LYS  40           HZ2      LYS  40  -0.709   0.881 -16.364
  327    HZ3  LYS  40           HZ3      LYS  40  -2.278   0.845 -16.821
  328    H    ASN  41           H        ASN  41  -0.993   2.946  -7.738
  329    HA   ASN  41           HA       ASN  41   1.876   3.124  -7.332
  330    HB2  ASN  41           HB2      ASN  41   0.267   4.945  -6.742
  331    HB3  ASN  41           HB3      ASN  41  -0.424   3.895  -5.501
  332   HD21  ASN  41          HD22      ASN  41   0.429   4.173  -3.441
  333   HD22  ASN  41          HD21      ASN  41   2.006   4.836  -3.111
  334    H    ASP  42           H        ASP  42  -0.599   0.831  -6.263
  335    HA   ASP  42           HA       ASP  42   0.714   0.086  -3.786
  336    HB2  ASP  42           HB2      ASP  42  -1.542  -0.979  -5.439
  337    HB3  ASP  42           HB3      ASP  42  -0.677  -2.146  -4.448
  338    H    THR  43           H        THR  43   2.398  -1.309  -3.437
  339    HA   THR  43           HA       THR  43   4.023  -2.199  -5.600
  340    HB   THR  43           HB       THR  43   4.069  -3.121  -2.698
  341    HG1  THR  43           HG1      THR  43   4.269  -1.058  -2.496
  342   HG21  THR  43          HG21      THR  43   6.257  -3.067  -4.805
  343   HG22  THR  43          HG22      THR  43   6.469  -3.458  -3.078
  344   HG23  THR  43          HG23      THR  43   5.468  -4.497  -4.092
  345    H    VAL  44           H        VAL  44   3.070  -3.652  -7.044
  346    HA   VAL  44           HA       VAL  44   1.690  -6.022  -5.978
  347    HB   VAL  44           HB       VAL  44   2.628  -5.532  -8.843
  348   HG11  VAL  44          HG11      VAL  44   0.548  -7.372  -7.563
  349   HG12  VAL  44          HG12      VAL  44   0.838  -7.231  -9.307
  350   HG13  VAL  44          HG13      VAL  44   2.091  -7.893  -8.251
  351   HG21  VAL  44          HG21      VAL  44   1.093  -3.708  -8.210
  352   HG22  VAL  44          HG22      VAL  44   0.292  -4.836  -9.301
  353   HG23  VAL  44          HG23      VAL  44  -0.063  -4.888  -7.558
  354    H    LYS  45           H        LYS  45   2.993  -7.345  -4.797
  355    HA   LYS  45           HA       LYS  45   5.697  -7.977  -5.784
  356    HB2  LYS  45           HB2      LYS  45   4.178  -9.113  -3.393
  357    HB3  LYS  45           HB3      LYS  45   5.879  -9.396  -3.819
  358    HG2  LYS  45           HG2      LYS  45   6.097  -6.809  -3.822
  359    HG3  LYS  45           HG3      LYS  45   4.545  -6.794  -2.984
  360    HD2  LYS  45           HD2      LYS  45   5.454  -7.769  -1.042
  361    HD3  LYS  45           HD3      LYS  45   6.866  -8.432  -1.899
  362    HE2  LYS  45           HE2      LYS  45   7.820  -6.236  -2.223
  363    HE3  LYS  45           HE3      LYS  45   6.362  -5.442  -1.611
  364    HZ1  LYS  45           HZ1      LYS  45   6.806  -6.188   0.549
  365    HZ2  LYS  45           HZ2      LYS  45   8.043  -7.192   0.082
  366    HZ3  LYS  45           HZ3      LYS  45   8.211  -5.570   0.003
  367    H    VAL  46           H        VAL  46   6.180  -9.849  -6.898
  368    HA   VAL  46           HA       VAL  46   3.909 -11.696  -7.480
  369    HB   VAL  46           HB       VAL  46   4.835 -11.949  -9.748
  370   HG11  VAL  46          HG11      VAL  46   3.906  -9.901 -10.672
  371   HG12  VAL  46          HG12      VAL  46   2.935 -10.414  -9.283
  372   HG13  VAL  46          HG13      VAL  46   4.080  -9.064  -9.117
  373   HG21  VAL  46          HG21      VAL  46   6.387 -10.341 -10.712
  374   HG22  VAL  46          HG22      VAL  46   6.538  -9.482  -9.181
  375   HG23  VAL  46          HG23      VAL  46   7.174 -11.133  -9.341
  376    H    TYR  47           H        TYR  47   4.356 -13.855  -7.587
  377    HA   TYR  47           HA       TYR  47   7.085 -14.811  -7.416
  378    HB2  TYR  47           HB2      TYR  47   6.913 -16.039  -5.438
  379    HB3  TYR  47           HB3      TYR  47   6.362 -14.432  -5.019
  380    HD1  TYR  47           HD2      TYR  47   3.976 -13.981  -4.528
  381    HD2  TYR  47           HD1      TYR  47   5.419 -17.970  -5.298
  382    HE1  TYR  47           HE2      TYR  47   1.995 -14.917  -3.386
  383    HE2  TYR  47           HE1      TYR  47   3.402 -18.914  -4.220
  384    HH   TYR  47           HH       TYR  47   0.823 -16.862  -2.841
  385    H    CYS  48           H        CYS  48   6.938 -17.345  -7.559
  386    HA   CYS  48           HA       CYS  48   4.534 -18.418  -8.644
  387    HB2  CYS  48           HB2      CYS  48   5.412 -19.084 -10.835
  388    HB3  CYS  48           HB3      CYS  48   5.405 -17.330 -10.669
  389    HG   CYS  48           HG       CYS  48   7.924 -17.082  -9.977
  390    H    ASN  49           H        ASN  49   6.199 -20.717  -9.839
  391    HA   ASN  49           HA       ASN  49   6.352 -22.254  -7.425
  392    HB2  ASN  49           HB2      ASN  49   5.958 -23.211  -9.693
  393    HB3  ASN  49           HB3      ASN  49   7.620 -22.824 -10.144
  394   HD21  ASN  49          HD22      ASN  49   5.544 -25.061  -8.416
  395   HD22  ASN  49          HD21      ASN  49   6.809 -26.142  -7.892
  396    H    ALA  50           H        ALA  50   8.967 -20.853  -9.470
  397    HA   ALA  50           HA       ALA  50  10.789 -20.898  -7.112
  398    HB1  ALA  50           HB1      ALA  50  11.049 -23.033  -8.339
  399    HB2  ALA  50           HB2      ALA  50  11.408 -22.134  -9.830
  400    HB3  ALA  50           HB3      ALA  50  12.510 -22.038  -8.440
  401    H    GLY  51           H        GLY  51   9.665 -19.082  -9.808
  402    HA2  GLY  51           HA2      GLY  51  10.606 -16.740  -9.641
  403    HA3  GLY  51           HA3      GLY  51  12.179 -17.467  -9.936
  404    H    ARG  52           H        ARG  52  10.843 -19.448 -11.850
  405    HA   ARG  52           HA       ARG  52  11.827 -18.325 -14.116
  406    HB2  ARG  52           HB2      ARG  52  11.461 -20.718 -13.806
  407    HB3  ARG  52           HB3      ARG  52   9.711 -20.502 -13.851
  408    HG2  ARG  52           HG2      ARG  52  10.560 -21.456 -15.939
  409    HG3  ARG  52           HG3      ARG  52   9.786 -19.903 -16.214
  410    HD2  ARG  52           HD2      ARG  52  12.125 -18.846 -16.231
  411    HD3  ARG  52           HD3      ARG  52  12.780 -20.477 -16.116
  412    HE   ARG  52           HE       ARG  52  12.263 -20.865 -18.317
  413   HH11  ARG  52          HH11      ARG  52  10.627 -17.840 -17.338
  414   HH12  ARG  52          HH12      ARG  52  10.241 -17.388 -18.962
  415   HH21  ARG  52          HH21      ARG  52  11.719 -20.245 -20.452
  416   HH22  ARG  52          HH22      ARG  52  10.864 -18.783 -20.759
  417    H    GLN  53           H        GLN  53   8.438 -17.906 -13.086
  418    HA   GLN  53           HA       GLN  53   8.048 -16.251 -15.554
  419    HB2  GLN  53           HB2      GLN  53   5.721 -16.884 -15.592
  420    HB3  GLN  53           HB3      GLN  53   6.802 -18.257 -15.771
  421    HG2  GLN  53           HG2      GLN  53   6.372 -18.808 -13.324
  422    HG3  GLN  53           HG3      GLN  53   5.157 -17.524 -13.316
  423   HE21  GLN  53          HE22      GLN  53   3.001 -18.247 -13.839
  424   HE22  GLN  53          HE21      GLN  53   2.705 -19.686 -14.770
  425    H    SER  54           H        SER  54   8.003 -16.154 -12.048
  426    HA   SER  54           HA       SER  54   6.435 -13.718 -11.915
  427    HB2  SER  54           HB2      SER  54   7.534 -13.554  -9.659
  428    HB3  SER  54           HB3      SER  54   6.653 -15.061  -9.967
  429    HG   SER  54           HG       SER  54   8.791 -15.420  -9.048
  430    H    GLY  55           H        GLY  55   9.873 -14.566 -12.500
  431    HA2  GLY  55           HA2      GLY  55  11.045 -12.018 -12.352
  432    HA3  GLY  55           HA3      GLY  55  11.531 -13.319 -13.465
  433    H    GLN  56           H        GLN  56   9.457 -13.620 -15.155
  434    HA   GLN  56           HA       GLN  56   9.598 -11.277 -16.824
  435    HB2  GLN  56           HB2      GLN  56   7.865 -13.790 -16.982
  436    HB3  GLN  56           HB3      GLN  56   7.962 -12.549 -18.242
  437    HG2  GLN  56           HG2      GLN  56  10.098 -14.506 -17.350
  438    HG3  GLN  56           HG3      GLN  56   9.418 -14.280 -18.961
  439   HE21  GLN  56          HE22      GLN  56   9.738 -11.708 -19.674
  440   HE22  GLN  56          HE21      GLN  56  11.262 -10.983 -19.210
  441    H    ALA  57           H        ALA  57   7.039 -12.539 -14.617
  442    HA   ALA  57           HA       ALA  57   5.093 -10.641 -15.270
  443    HB1  ALA  57           HB1      ALA  57   5.638 -11.698 -12.479
  444    HB2  ALA  57           HB2      ALA  57   4.115 -11.062 -13.121
  445    HB3  ALA  57           HB3      ALA  57   4.779 -12.580 -13.763
  446    H    LYS  58           H        LYS  58   7.961 -10.218 -13.099
  447    HA   LYS  58           HA       LYS  58   7.167  -7.697 -12.135
  448    HB2  LYS  58           HB2      LYS  58   8.948  -8.758 -11.048
  449    HB3  LYS  58           HB3      LYS  58   9.958  -8.799 -12.505
  450    HG2  LYS  58           HG2      LYS  58  10.373  -6.475 -12.459
  451    HG3  LYS  58           HG3      LYS  58   8.992  -6.133 -11.414
  452    HD2  LYS  58           HD2      LYS  58  10.078  -7.129  -9.508
  453    HD3  LYS  58           HD3      LYS  58  11.470  -7.637 -10.511
  454    HE2  LYS  58           HE2      LYS  58  11.795  -5.161 -11.063
  455    HE3  LYS  58           HE3      LYS  58  10.593  -4.795  -9.820
  456    HZ1  LYS  58           HZ1      LYS  58  12.087  -5.909  -8.190
  457    HZ2  LYS  58           HZ2      LYS  58  13.184  -6.174  -9.379
  458    HZ3  LYS  58           HZ3      LYS  58  12.822  -4.653  -8.935
  459    H    GLU  59           H        GLU  59   8.854  -8.602 -15.175
  460    HA   GLU  59           HA       GLU  59   9.438  -5.867 -15.950
  461    HB2  GLU  59           HB2      GLU  59   9.269  -8.398 -17.658
  462    HB3  GLU  59           HB3      GLU  59   9.896  -6.830 -18.172
  463    HG2  GLU  59           HG2      GLU  59  11.605  -7.014 -16.288
  464    HG3  GLU  59           HG3      GLU  59  11.088  -8.690 -16.084
  465    H    ILE  60           H        ILE  60   6.931  -8.277 -16.762
  466    HA   ILE  60           HA       ILE  60   5.471  -6.801 -18.637
  467    HB   ILE  60           HB       ILE  60   4.838  -9.028 -16.691
  468   HG12  ILE  60          HG12      ILE  60   4.909  -9.008 -19.741
  469   HG13  ILE  60          HG13      ILE  60   6.329  -9.329 -18.756
  470   HG21  ILE  60          HG21      ILE  60   2.670  -9.414 -17.825
  471   HG22  ILE  60          HG22      ILE  60   2.703  -7.918 -16.913
  472   HG23  ILE  60          HG23      ILE  60   2.876  -7.863 -18.681
  473   HD11  ILE  60          HD11      ILE  60   5.418 -11.431 -19.468
  474   HD12  ILE  60          HD12      ILE  60   5.172 -11.285 -17.720
  475   HD13  ILE  60          HD13      ILE  60   3.812 -11.037 -18.842
  476    H    LEU  61           H        LEU  61   4.953  -6.917 -15.041
  477    HA   LEU  61           HA       LEU  61   2.778  -5.037 -15.229
  478    HB2  LEU  61           HB2      LEU  61   4.479  -5.906 -12.872
  479    HB3  LEU  61           HB3      LEU  61   3.053  -4.870 -12.752
  480    HG   LEU  61           HG       LEU  61   3.115  -7.778 -13.665
  481   HD11  LEU  61          HD11      LEU  61   1.769  -8.146 -11.648
  482   HD12  LEU  61          HD12      LEU  61   3.302  -7.366 -11.228
  483   HD13  LEU  61          HD13      LEU  61   1.809  -6.404 -11.286
  484   HD21  LEU  61          HD21      LEU  61   0.595  -7.585 -13.695
  485   HD22  LEU  61          HD22      LEU  61   0.800  -5.817 -13.661
  486   HD23  LEU  61          HD23      LEU  61   1.409  -6.782 -15.030
  487    H    SER  62           H        SER  62   6.295  -4.633 -14.828
  488    HA   SER  62           HA       SER  62   6.177  -1.836 -14.171
  489    HB2  SER  62           HB2      SER  62   8.372  -3.387 -15.608
  490    HB3  SER  62           HB3      SER  62   8.520  -1.796 -14.844
  491    HG   SER  62           HG       SER  62   8.056  -4.323 -13.637
  492    H    GLU  63           H        GLU  63   6.294  -3.632 -17.323
  493    HA   GLU  63           HA       GLU  63   6.288  -1.281 -18.938
  494    HB2  GLU  63           HB2      GLU  63   5.518  -4.171 -19.482
  495    HB3  GLU  63           HB3      GLU  63   5.407  -2.906 -20.709
  496    HG2  GLU  63           HG2      GLU  63   7.814  -2.381 -20.403
  497    HG3  GLU  63           HG3      GLU  63   7.959  -3.692 -19.239
  498    H    MET  64           H        MET  64   3.640  -3.169 -17.448
  499    HA   MET  64           HA       MET  64   1.503  -1.646 -18.663
  500    HB2  MET  64           HB2      MET  64   1.629  -3.294 -16.108
  501    HB3  MET  64           HB3      MET  64   0.171  -2.505 -16.699
  502    HG2  MET  64           HG2      MET  64   0.305  -3.787 -18.807
  503    HG3  MET  64           HG3      MET  64   1.755  -4.597 -18.223
  504    HE1  MET  64           HE1      MET  64  -2.095  -4.239 -18.039
  505    HE2  MET  64           HE2      MET  64  -2.556  -5.246 -16.654
  506    HE3  MET  64           HE3      MET  64  -1.729  -3.703 -16.382
  507    H    GLY  65           H        GLY  65   3.922  -0.604 -16.502
  508    HA2  GLY  65           HA2      GLY  65   4.195   1.558 -15.820
  509    HA3  GLY  65           HA3      GLY  65   2.505   1.920 -16.193
  510    H    TYR  66           H        TYR  66   3.118  -0.878 -14.108
  511    HA   TYR  66           HA       TYR  66   1.934   0.467 -11.796
  512    HB2  TYR  66           HB2      TYR  66   3.179  -2.261 -12.234
  513    HB3  TYR  66           HB3      TYR  66   2.814  -1.651 -10.625
  514    HD1  TYR  66           HD1      TYR  66   1.203  -2.336 -13.954
  515    HD2  TYR  66           HD2      TYR  66   0.643  -1.773  -9.714
  516    HE1  TYR  66           HE1      TYR  66  -1.223  -2.790 -14.216
  517    HE2  TYR  66           HE2      TYR  66  -1.768  -2.270  -9.969
  518    HH   TYR  66           HH       TYR  66  -3.505  -2.509 -11.447
  519    H    THR  67           H        THR  67   2.991   1.869 -10.528
  520    HA   THR  67           HA       THR  67   5.737   2.459 -11.205
  521    HB   THR  67           HB       THR  67   5.325   4.363  -9.596
  522    HG1  THR  67           HG1      THR  67   3.260   4.592  -8.797
  523   HG21  THR  67          HG21      THR  67   3.133   3.957 -11.693
  524   HG22  THR  67          HG22      THR  67   3.710   5.508 -11.043
  525   HG23  THR  67          HG23      THR  67   4.783   4.517 -12.046
  526    H    HIS  68           H        HIS  68   4.256   0.424  -8.879
  527    HA   HIS  68           HA       HIS  68   6.904  -0.048  -7.647
  528    HB2  HIS  68           HB2      HIS  68   4.245   0.125  -6.169
  529    HB3  HIS  68           HB3      HIS  68   5.723  -0.585  -5.523
  530    HD1  HIS  68           HD1      HIS  68   7.304   1.033  -4.258
  531    HD2  HIS  68           HD2      HIS  68   4.441   2.914  -6.705
  532    HE1  HIS  68           HE1      HIS  68   7.483   3.526  -3.780
  533    H    VAL  69           H        VAL  69   7.434  -2.078  -8.104
  534    HA   VAL  69           HA       VAL  69   5.490  -4.261  -8.008
  535    HB   VAL  69           HB       VAL  69   7.376  -3.770 -10.371
  536   HG11  VAL  69          HG11      VAL  69   5.489  -6.111  -9.847
  537   HG12  VAL  69          HG12      VAL  69   6.389  -5.814 -11.348
  538   HG13  VAL  69          HG13      VAL  69   7.270  -6.175  -9.861
  539   HG21  VAL  69          HG21      VAL  69   5.350  -3.747 -11.786
  540   HG22  VAL  69          HG22      VAL  69   4.330  -3.836 -10.328
  541   HG23  VAL  69          HG23      VAL  69   5.354  -2.416 -10.641
  542    H    GLU  70           H        GLU  70   6.688  -6.212  -7.313
  543    HA   GLU  70           HA       GLU  70   9.580  -5.953  -7.273
  544    HB2  GLU  70           HB2      GLU  70   8.809  -5.040  -5.028
  545    HB3  GLU  70           HB3      GLU  70   8.135  -6.639  -4.685
  546    HG2  GLU  70           HG2      GLU  70  10.307  -6.261  -3.622
  547    HG3  GLU  70           HG3      GLU  70  10.306  -7.655  -4.697
  548    H    ASN  71           H        ASN  71  10.650  -7.985  -7.060
  549    HA   ASN  71           HA       ASN  71   8.884 -10.290  -7.805
  550    HB2  ASN  71           HB2      ASN  71  10.547  -9.642  -9.551
  551    HB3  ASN  71           HB3      ASN  71  11.854  -9.844  -8.371
  552   HD21  ASN  71          HD22      ASN  71   9.312 -11.509 -10.246
  553   HD22  ASN  71          HD21      ASN  71   9.899 -13.133  -9.905
  554    H    ALA  72           H        ALA  72   8.755 -11.879  -6.323
  555    HA   ALA  72           HA       ALA  72  10.659 -11.823  -4.041
  556    HB1  ALA  72           HB1      ALA  72   8.314 -11.337  -3.505
  557    HB2  ALA  72           HB2      ALA  72   7.822 -12.889  -4.219
  558    HB3  ALA  72           HB3      ALA  72   8.850 -12.858  -2.768
  559    H    GLY  73           H        GLY  73  10.736 -13.327  -6.854
  560    HA2  GLY  73           HA2      GLY  73  11.752 -15.261  -7.543
  561    HA3  GLY  73           HA3      GLY  73  12.010 -15.720  -5.850
  562    H    GLY  74           H        GLY  74  10.799 -17.450  -5.129
  563    HA2  GLY  74           HA2      GLY  74   8.108 -17.867  -6.149
  564    HA3  GLY  74           HA3      GLY  74   9.266 -19.117  -6.608
  565    H    LEU  75           H        LEU  75   7.150 -19.819  -5.202
  566    HA   LEU  75           HA       LEU  75   6.993 -19.366  -2.489
  567    HB2  LEU  75           HB2      LEU  75   5.286 -20.362  -4.072
  568    HB3  LEU  75           HB3      LEU  75   6.174 -21.883  -4.007
  569    HG   LEU  75           HG       LEU  75   5.719 -22.044  -1.562
  570   HD11  LEU  75          HD11      LEU  75   5.472 -19.683  -0.921
  571   HD12  LEU  75          HD12      LEU  75   4.119 -19.490  -2.054
  572   HD13  LEU  75          HD13      LEU  75   3.934 -20.511  -0.627
  573   HD21  LEU  75          HD21      LEU  75   4.205 -23.054  -3.240
  574   HD22  LEU  75          HD22      LEU  75   3.335 -22.523  -1.798
  575   HD23  LEU  75          HD23      LEU  75   3.257 -21.541  -3.266
  576    H    LYS  76           H        LYS  76   9.003 -21.766  -4.128
  577    HA   LYS  76           HA       LYS  76   9.642 -23.362  -1.827
  578    HB2  LYS  76           HB2      LYS  76  11.092 -22.805  -4.457
  579    HB3  LYS  76           HB3      LYS  76  11.675 -23.970  -3.264
  580    HG2  LYS  76           HG2      LYS  76   9.729 -25.360  -3.495
  581    HG3  LYS  76           HG3      LYS  76   8.891 -24.156  -4.493
  582    HD2  LYS  76           HD2      LYS  76  10.495 -24.403  -6.287
  583    HD3  LYS  76           HD3      LYS  76  11.503 -25.498  -5.313
  584    HE2  LYS  76           HE2      LYS  76   9.794 -27.201  -5.296
  585    HE3  LYS  76           HE3      LYS  76   8.598 -26.096  -5.989
  586    HZ1  LYS  76           HZ1      LYS  76   9.551 -27.637  -7.631
  587    HZ2  LYS  76           HZ2      LYS  76   9.792 -26.067  -8.030
  588    HZ3  LYS  76           HZ3      LYS  76  11.029 -26.980  -7.429
  589    H    ASP  77           H        ASP  77  11.011 -20.324  -3.122
  590    HA   ASP  77           HA       ASP  77  13.311 -20.418  -1.285
  591    HB2  ASP  77           HB2      ASP  77  13.579 -19.476  -3.538
  592    HB3  ASP  77           HB3      ASP  77  12.318 -18.282  -3.214
  593    H    ILE  78           H        ILE  78  10.130 -18.861  -1.576
  594    HA   ILE  78           HA       ILE  78  10.495 -16.904   0.478
  595    HB   ILE  78           HB       ILE  78   7.994 -18.178  -0.710
  596   HG12  ILE  78          HG12      ILE  78   9.185 -15.398  -1.160
  597   HG13  ILE  78          HG13      ILE  78   9.521 -16.765  -2.209
  598   HG21  ILE  78          HG21      ILE  78   6.784 -16.187   0.286
  599   HG22  ILE  78          HG22      ILE  78   7.375 -17.325   1.479
  600   HG23  ILE  78          HG23      ILE  78   8.251 -15.793   1.184
  601   HD11  ILE  78          HD11      ILE  78   7.089 -16.980  -2.725
  602   HD12  ILE  78          HD12      ILE  78   6.798 -15.488  -1.799
  603   HD13  ILE  78          HD13      ILE  78   7.822 -15.448  -3.235
  604    H    ALA  79           H        ALA  79  10.456 -17.094   2.646
  605    HA   ALA  79           HA       ALA  79   9.494 -19.622   3.877
  606    HB1  ALA  79           HB1      ALA  79  11.980 -19.411   3.891
  607    HB2  ALA  79           HB2      ALA  79  11.830 -17.868   4.766
  608    HB3  ALA  79           HB3      ALA  79  11.303 -19.385   5.528
  609    H    MET  80           H        MET  80   8.067 -17.202   3.313
  610    HA   MET  80           HA       MET  80   7.309 -15.941   5.864
  611    HB2  MET  80           HB2      MET  80   6.119 -15.986   3.047
  612    HB3  MET  80           HB3      MET  80   5.332 -15.177   4.390
  613    HG2  MET  80           HG2      MET  80   7.256 -13.708   4.724
  614    HG3  MET  80           HG3      MET  80   8.162 -14.563   3.477
  615    HE1  MET  80           HE1      MET  80   4.552 -11.760   2.644
  616    HE2  MET  80           HE2      MET  80   4.313 -13.334   3.426
  617    HE3  MET  80           HE3      MET  80   5.241 -12.060   4.255
  618    HA   PRO  81           HA       PRO  81   4.454 -19.136   7.109
  619    HB2  PRO  81           HB2      PRO  81   2.062 -17.788   7.612
  620    HB3  PRO  81           HB3      PRO  81   3.456 -17.888   8.729
  621    HG2  PRO  81           HG2      PRO  81   2.780 -15.676   6.776
  622    HG3  PRO  81           HG3      PRO  81   3.287 -15.529   8.491
  623    HD2  PRO  81           HD2      PRO  81   5.066 -15.173   6.512
  624    HD3  PRO  81           HD3      PRO  81   5.536 -16.105   7.957
  625    H    LYS  82           H        LYS  82   2.848 -20.484   6.264
  626    HA   LYS  82           HA       LYS  82   1.984 -19.833   3.476
  627    HB2  LYS  82           HB2      LYS  82   2.718 -22.563   4.621
  628    HB3  LYS  82           HB3      LYS  82   2.302 -22.202   2.955
  629    HG2  LYS  82           HG2      LYS  82   4.841 -21.345   4.400
  630    HG3  LYS  82           HG3      LYS  82   4.650 -22.637   3.206
  631    HD2  LYS  82           HD2      LYS  82   3.980 -20.959   1.503
  632    HD3  LYS  82           HD3      LYS  82   4.175 -19.668   2.682
  633    HE2  LYS  82           HE2      LYS  82   6.081 -19.674   1.229
  634    HE3  LYS  82           HE3      LYS  82   6.592 -20.112   2.857
  635    HZ1  LYS  82           HZ1      LYS  82   7.440 -21.430   0.812
  636    HZ2  LYS  82           HZ2      LYS  82   7.041 -22.256   2.172
  637    HZ3  LYS  82           HZ3      LYS  82   6.004 -22.253   0.914
  638    H    VAL  83           H        VAL  83   0.150 -21.073   2.761
  639    HA   VAL  83           HA       VAL  83  -1.612 -22.241   4.838
  640    HB   VAL  83           HB       VAL  83  -2.386 -20.369   2.559
  641   HG11  VAL  83          HG11      VAL  83  -4.218 -22.013   4.375
  642   HG12  VAL  83          HG12      VAL  83  -4.748 -20.746   3.247
  643   HG13  VAL  83          HG13      VAL  83  -4.015 -22.222   2.619
  644   HG21  VAL  83          HG21      VAL  83  -3.424 -19.006   4.328
  645   HG22  VAL  83          HG22      VAL  83  -2.911 -20.180   5.562
  646   HG23  VAL  83          HG23      VAL  83  -1.705 -19.237   4.675
  647    H    LYS  84           H        LYS  84  -2.511 -24.201   4.047
  648    HA   LYS  84           HA       LYS  84  -1.311 -25.244   1.529
  649    HB2  LYS  84           HB2      LYS  84  -1.156 -26.426   4.334
  650    HB3  LYS  84           HB3      LYS  84  -0.797 -27.332   2.863
  651    HG2  LYS  84           HG2      LYS  84   1.068 -25.867   2.319
  652    HG3  LYS  84           HG3      LYS  84   0.734 -24.817   3.708
  653    HD2  LYS  84           HD2      LYS  84   1.140 -26.733   5.241
  654    HD3  LYS  84           HD3      LYS  84   1.496 -27.769   3.840
  655    HE2  LYS  84           HE2      LYS  84   3.363 -26.255   3.206
  656    HE3  LYS  84           HE3      LYS  84   3.015 -25.233   4.607
  657    HZ1  LYS  84           HZ1      LYS  84   3.559 -27.123   6.033
  658    HZ2  LYS  84           HZ2      LYS  84   3.878 -28.066   4.735
  659    HZ3  LYS  84           HZ3      LYS  84   4.816 -26.775   5.057
  660    H    GLY  85           H        GLY  85  -2.435 -26.951   0.614
  661    HA2  GLY  85           HA2      GLY  85  -4.350 -27.922  -0.172
  662    HA3  GLY  85           HA3      GLY  85  -4.792 -28.226   1.519
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1   0.271  -0.269   1.496
    2    H2   ALA   1           H2       ALA   1  -1.253   0.285   1.251
    3    H3   ALA   1           H3       ALA   1  -0.972  -1.323   1.365
    4    HA   ALA   1           HA       ALA   1  -1.331  -0.718  -0.937
    5    HB1  ALA   1           HB1      ALA   1  -0.612   1.623  -0.760
    6    HB2  ALA   1           HB2      ALA   1   1.073   1.108  -0.522
    7    HB3  ALA   1           HB3      ALA   1   0.247   0.786  -2.058
    8    H    GLU   2           H        GLU   2  -0.827  -3.099  -0.352
    9    HA   GLU   2           HA       GLU   2   1.440  -3.908  -1.920
   10    HB2  GLU   2           HB2      GLU   2   2.507  -3.688   0.346
   11    HB3  GLU   2           HB3      GLU   2   1.236  -4.694   1.040
   12    HG2  GLU   2           HG2      GLU   2   2.034  -6.602  -0.421
   13    HG3  GLU   2           HG3      GLU   2   3.359  -5.570  -0.961
   14    H    HIS   3           H        HIS   3   1.038  -5.989  -2.729
   15    HA   HIS   3           HA       HIS   3  -0.971  -7.741  -1.516
   16    HB2  HIS   3           HB2      HIS   3  -1.025  -6.975  -4.476
   17    HB3  HIS   3           HB3      HIS   3  -1.864  -8.349  -3.767
   18    HD1  HIS   3           HD1      HIS   3  -3.804  -7.538  -1.773
   19    HD2  HIS   3           HD2      HIS   3  -2.492  -4.865  -4.747
   20    HE1  HIS   3           HE1      HIS   3  -5.583  -5.728  -1.939
   21    H    TRP   4           H        TRP   4  -0.536  -9.968  -2.252
   22    HA   TRP   4           HA       TRP   4   2.104 -10.307  -3.607
   23    HB2  TRP   4           HB2      TRP   4   0.772 -11.984  -1.441
   24    HB3  TRP   4           HB3      TRP   4   2.167 -12.505  -2.377
   25    HD1  TRP   4           HD1      TRP   4   1.273  -9.548  -0.029
   26    HE1  TRP   4           HE1      TRP   4   3.291  -8.908   1.359
   27    HE3  TRP   4           HE3      TRP   4   4.643 -12.899  -1.984
   28    HZ2  TRP   4           HZ2      TRP   4   5.998  -9.925   1.784
   29    HZ3  TRP   4           HZ3      TRP   4   6.919 -13.057  -1.022
   30    HH2  TRP   4           HH2      TRP   4   7.614 -11.573   0.841
   31    H    ILE   5           H        ILE   5   1.817 -11.383  -5.548
   32    HA   ILE   5           HA       ILE   5  -0.831 -12.683  -6.017
   33    HB   ILE   5           HB       ILE   5   0.705 -11.155  -8.127
   34   HG12  ILE   5          HG12      ILE   5   0.005  -9.478  -6.462
   35   HG13  ILE   5          HG13      ILE   5  -0.811  -9.315  -8.008
   36   HG21  ILE   5          HG21      ILE   5  -2.152 -12.233  -7.986
   37   HG22  ILE   5          HG22      ILE   5  -1.465 -11.305  -9.338
   38   HG23  ILE   5          HG23      ILE   5  -0.823 -12.903  -8.936
   39   HD11  ILE   5          HD11      ILE   5  -2.875 -10.267  -7.064
   40   HD12  ILE   5          HD12      ILE   5  -2.042 -10.507  -5.507
   41   HD13  ILE   5          HD13      ILE   5  -2.315  -8.874  -6.136
   42    H    ASP   6           H        ASP   6  -0.512 -14.723  -6.219
   43    HA   ASP   6           HA       ASP   6   1.929 -16.062  -7.064
   44    HB2  ASP   6           HB2      ASP   6   0.270 -16.985  -5.441
   45    HB3  ASP   6           HB3      ASP   6  -0.965 -16.925  -6.674
   46    H    VAL   7           H        VAL   7   2.483 -15.957  -9.224
   47    HA   VAL   7           HA       VAL   7   0.336 -15.759 -11.270
   48    HB   VAL   7           HB       VAL   7   1.778 -14.444 -12.643
   49   HG11  VAL   7          HG11      VAL   7   1.791 -12.388 -11.444
   50   HG12  VAL   7          HG12      VAL   7   0.418 -13.334 -10.834
   51   HG13  VAL   7          HG13      VAL   7   1.901 -13.207  -9.878
   52   HG21  VAL   7          HG21      VAL   7   4.007 -15.364 -12.021
   53   HG22  VAL   7          HG22      VAL   7   3.955 -13.599 -11.964
   54   HG23  VAL   7          HG23      VAL   7   3.900 -14.520 -10.457
   55    H    ARG   8           H        ARG   8   1.973 -18.105 -10.066
   56    HA   ARG   8           HA       ARG   8   3.028 -19.381 -12.515
   57    HB2  ARG   8           HB2      ARG   8   3.404 -21.354 -11.053
   58    HB3  ARG   8           HB3      ARG   8   4.239 -19.907 -10.485
   59    HG2  ARG   8           HG2      ARG   8   2.662 -19.460  -8.820
   60    HG3  ARG   8           HG3      ARG   8   1.545 -20.720  -9.403
   61    HD2  ARG   8           HD2      ARG   8   3.070 -22.453  -8.713
   62    HD3  ARG   8           HD3      ARG   8   4.301 -21.260  -8.230
   63    HE   ARG   8           HE       ARG   8   1.927 -20.460  -7.059
   64   HH11  ARG   8          HH11      ARG   8   3.974 -23.353  -6.617
   65   HH12  ARG   8          HH12      ARG   8   3.513 -23.541  -4.956
   66   HH21  ARG   8          HH21      ARG   8   1.315 -20.707  -5.098
   67   HH22  ARG   8          HH22      ARG   8   1.666 -22.128  -4.111
   68    H    VAL   9           H        VAL   9   1.994 -21.832 -12.603
   69    HA   VAL   9           HA       VAL   9  -0.671 -21.531 -13.529
   70    HB   VAL   9           HB       VAL   9  -0.700 -24.024 -13.566
   71   HG11  VAL   9          HG11      VAL   9   1.860 -22.813 -14.704
   72   HG12  VAL   9          HG12      VAL   9   1.031 -24.279 -15.262
   73   HG13  VAL   9          HG13      VAL   9   0.244 -22.705 -15.436
   74   HG21  VAL   9          HG21      VAL   9   2.114 -23.884 -12.376
   75   HG22  VAL   9          HG22      VAL   9   0.673 -24.546 -11.574
   76   HG23  VAL   9          HG23      VAL   9   1.307 -25.322 -13.025
   77    HA   PRO  10           HA       PRO  10  -2.849 -21.349  -9.776
   78    HB2  PRO  10           HB2      PRO  10  -5.367 -22.226 -10.416
   79    HB3  PRO  10           HB3      PRO  10  -4.668 -20.698 -11.040
   80    HG2  PRO  10           HG2      PRO  10  -4.741 -23.390 -12.425
   81    HG3  PRO  10           HG3      PRO  10  -5.231 -21.791 -13.077
   82    HD2  PRO  10           HD2      PRO  10  -2.775 -22.823 -13.583
   83    HD3  PRO  10           HD3      PRO  10  -2.985 -21.076 -13.262
   84    H    GLU  11           H        GLU  11  -2.603 -24.517 -11.309
   85    HA   GLU  11           HA       GLU  11  -3.884 -26.114  -9.398
   86    HB2  GLU  11           HB2      GLU  11  -1.442 -26.724 -11.118
   87    HB3  GLU  11           HB3      GLU  11  -2.403 -27.938 -10.273
   88    HG2  GLU  11           HG2      GLU  11  -3.431 -26.088 -12.474
   89    HG3  GLU  11           HG3      GLU  11  -2.956 -27.766 -12.682
   90    H    GLN  12           H        GLN  12  -0.554 -24.785  -9.355
   91    HA   GLN  12           HA       GLN  12   0.264 -26.357  -7.056
   92    HB2  GLN  12           HB2      GLN  12   1.421 -23.812  -8.226
   93    HB3  GLN  12           HB3      GLN  12   2.105 -24.786  -6.906
   94    HG2  GLN  12           HG2      GLN  12   2.335 -26.723  -8.425
   95    HG3  GLN  12           HG3      GLN  12   1.760 -25.722  -9.760
   96   HE21  GLN  12          HE22      GLN  12   3.839 -26.114 -10.845
   97   HE22  GLN  12          HE21      GLN  12   5.267 -25.247 -10.354
   98    H    TYR  13           H        TYR  13  -1.270 -23.143  -7.491
   99    HA   TYR  13           HA       TYR  13  -0.920 -22.242  -4.794
  100    HB2  TYR  13           HB2      TYR  13  -1.550 -20.765  -6.650
  101    HB3  TYR  13           HB3      TYR  13  -3.067 -21.615  -6.854
  102    HD1  TYR  13           HD2      TYR  13  -4.930 -21.347  -5.249
  103    HD2  TYR  13           HD1      TYR  13  -1.256 -19.131  -4.829
  104    HE1  TYR  13           HE2      TYR  13  -6.092 -19.711  -3.814
  105    HE2  TYR  13           HE1      TYR  13  -2.416 -17.464  -3.420
  106    HH   TYR  13           HH       TYR  13  -5.909 -17.729  -2.605
  107    H    GLN  14           H        GLN  14  -3.250 -24.492  -6.318
  108    HA   GLN  14           HA       GLN  14  -5.006 -24.610  -4.039
  109    HB2  GLN  14           HB2      GLN  14  -4.564 -26.921  -5.941
  110    HB3  GLN  14           HB3      GLN  14  -5.998 -26.516  -5.016
  111    HG2  GLN  14           HG2      GLN  14  -4.944 -25.228  -7.532
  112    HG3  GLN  14           HG3      GLN  14  -6.463 -26.056  -7.302
  113   HE21  GLN  14          HE22      GLN  14  -5.156 -23.044  -7.712
  114   HE22  GLN  14          HE21      GLN  14  -6.447 -22.085  -7.001
  115    H    GLN  15           H        GLN  15  -1.785 -25.895  -4.575
  116    HA   GLN  15           HA       GLN  15  -2.125 -28.071  -2.621
  117    HB2  GLN  15           HB2      GLN  15   0.464 -27.167  -3.935
  118    HB3  GLN  15           HB3      GLN  15   0.120 -28.693  -3.122
  119    HG2  GLN  15           HG2      GLN  15  -0.789 -27.719  -5.825
  120    HG3  GLN  15           HG3      GLN  15   0.175 -29.133  -5.465
  121   HE21  GLN  15          HE22      GLN  15  -2.739 -28.261  -6.611
  122   HE22  GLN  15          HE21      GLN  15  -3.723 -29.609  -6.060
  123    H    GLU  16           H        GLU  16  -0.183 -25.063  -2.975
  124    HA   GLU  16           HA       GLU  16  -0.596 -24.363  -0.210
  125    HB2  GLU  16           HB2      GLU  16   1.260 -26.040  -0.002
  126    HB3  GLU  16           HB3      GLU  16   2.234 -25.075  -1.118
  127    HG2  GLU  16           HG2      GLU  16   2.305 -23.230   0.494
  128    HG3  GLU  16           HG3      GLU  16   1.160 -24.066   1.546
  129    H    HIS  17           H        HIS  17  -0.111 -22.139   0.139
  130    HA   HIS  17           HA       HIS  17   1.287 -20.611  -1.953
  131    HB2  HIS  17           HB2      HIS  17  -0.673 -19.032  -2.087
  132    HB3  HIS  17           HB3      HIS  17  -0.888 -20.605  -2.848
  133    HD1  HIS  17           HD1      HIS  17  -2.962 -22.001  -2.096
  134    HD2  HIS  17           HD2      HIS  17  -2.074 -18.685   0.340
  135    HE1  HIS  17           HE1      HIS  17  -4.902 -21.766  -0.460
  136    H    VAL  18           H        VAL  18   1.592 -18.325  -1.251
  137    HA   VAL  18           HA       VAL  18   2.488 -18.156   1.475
  138    HB   VAL  18           HB       VAL  18   2.047 -16.000  -0.640
  139   HG11  VAL  18          HG11      VAL  18   3.710 -14.681   0.692
  140   HG12  VAL  18          HG12      VAL  18   2.191 -14.932   1.552
  141   HG13  VAL  18          HG13      VAL  18   3.612 -15.911   1.975
  142   HG21  VAL  18          HG21      VAL  18   4.471 -16.170  -1.008
  143   HG22  VAL  18          HG22      VAL  18   4.571 -17.510   0.164
  144   HG23  VAL  18          HG23      VAL  18   3.688 -17.698  -1.366
  145    H    GLN  19           H        GLN  19   1.513 -17.217   3.242
  146    HA   GLN  19           HA       GLN  19  -1.301 -17.329   3.447
  147    HB2  GLN  19           HB2      GLN  19   0.359 -17.580   5.293
  148    HB3  GLN  19           HB3      GLN  19   0.715 -15.851   5.202
  149    HG2  GLN  19           HG2      GLN  19  -1.628 -15.335   5.837
  150    HG3  GLN  19           HG3      GLN  19  -2.011 -17.060   5.866
  151   HE21  GLN  19          HE22      GLN  19  -0.936 -18.427   7.544
  152   HE22  GLN  19          HE21      GLN  19  -0.362 -17.679   9.010
  153    H    GLY  20           H        GLY  20  -2.878 -15.918   2.915
  154    HA2  GLY  20           HA2      GLY  20  -4.001 -13.961   2.606
  155    HA3  GLY  20           HA3      GLY  20  -2.570 -13.061   3.120
  156    H    ALA  21           H        ALA  21  -1.682 -15.128   0.536
  157    HA   ALA  21           HA       ALA  21  -1.435 -12.927  -1.332
  158    HB1  ALA  21           HB1      ALA  21   0.195 -14.766  -1.225
  159    HB2  ALA  21           HB2      ALA  21  -1.075 -15.932  -1.687
  160    HB3  ALA  21           HB3      ALA  21  -0.551 -14.679  -2.832
  161    H    ILE  22           H        ILE  22  -2.138 -13.307  -3.626
  162    HA   ILE  22           HA       ILE  22  -4.908 -14.382  -3.932
  163    HB   ILE  22           HB       ILE  22  -3.622 -12.373  -5.798
  164   HG12  ILE  22          HG12      ILE  22  -3.436 -11.165  -3.702
  165   HG13  ILE  22          HG13      ILE  22  -4.595 -10.443  -4.786
  166   HG21  ILE  22          HG21      ILE  22  -5.999 -11.704  -6.229
  167   HG22  ILE  22          HG22      ILE  22  -5.645 -13.374  -6.644
  168   HG23  ILE  22          HG23      ILE  22  -6.525 -13.009  -5.146
  169   HD11  ILE  22          HD11      ILE  22  -5.346 -12.189  -2.391
  170   HD12  ILE  22          HD12      ILE  22  -5.365 -10.417  -2.431
  171   HD13  ILE  22          HD13      ILE  22  -6.478 -11.331  -3.461
  172    H    ASN  23           H        ASN  23  -5.123 -15.394  -6.207
  173    HA   ASN  23           HA       ASN  23  -2.539 -15.911  -7.554
  174    HB2  ASN  23           HB2      ASN  23  -2.876 -18.080  -6.725
  175    HB3  ASN  23           HB3      ASN  23  -4.630 -18.009  -6.924
  176   HD21  ASN  23          HD22      ASN  23  -1.472 -18.445  -8.724
  177   HD22  ASN  23          HD21      ASN  23  -2.248 -19.001 -10.167
  178    H    ILE  24           H        ILE  24  -2.547 -15.427  -9.568
  179    HA   ILE  24           HA       ILE  24  -4.944 -15.642 -11.178
  180    HB   ILE  24           HB       ILE  24  -3.433 -13.011 -11.362
  181   HG12  ILE  24          HG12      ILE  24  -6.037 -13.274  -9.846
  182   HG13  ILE  24          HG13      ILE  24  -4.445 -12.944  -9.131
  183   HG21  ILE  24          HG21      ILE  24  -6.126 -13.915 -12.389
  184   HG22  ILE  24          HG22      ILE  24  -5.294 -12.378 -12.763
  185   HG23  ILE  24          HG23      ILE  24  -4.600 -13.898 -13.301
  186   HD11  ILE  24          HD11      ILE  24  -5.615 -10.875  -9.291
  187   HD12  ILE  24          HD12      ILE  24  -4.272 -10.853 -10.450
  188   HD13  ILE  24          HD13      ILE  24  -5.942 -11.109 -11.014
  189    HA   PRO  25           HA       PRO  25  -1.105 -17.161 -13.098
  190    HB2  PRO  25           HB2      PRO  25  -2.094 -18.134 -15.484
  191    HB3  PRO  25           HB3      PRO  25  -2.198 -18.994 -13.918
  192    HG2  PRO  25           HG2      PRO  25  -4.320 -17.321 -15.270
  193    HG3  PRO  25           HG3      PRO  25  -4.491 -18.916 -14.465
  194    HD2  PRO  25           HD2      PRO  25  -5.129 -16.546 -13.231
  195    HD3  PRO  25           HD3      PRO  25  -4.460 -17.937 -12.322
  196    H    LEU  26           H        LEU  26   0.333 -16.321 -14.636
  197    HA   LEU  26           HA       LEU  26   0.284 -13.637 -14.920
  198    HB2  LEU  26           HB2      LEU  26   2.246 -15.082 -15.039
  199    HB3  LEU  26           HB3      LEU  26   1.781 -15.645 -16.643
  200    HG   LEU  26           HG       LEU  26   2.228 -13.472 -17.621
  201   HD11  LEU  26          HD11      LEU  26   1.497 -11.897 -15.935
  202   HD12  LEU  26          HD12      LEU  26   2.665 -12.523 -14.759
  203   HD13  LEU  26          HD13      LEU  26   3.208 -11.620 -16.200
  204   HD21  LEU  26          HD21      LEU  26   4.452 -14.268 -15.674
  205   HD22  LEU  26          HD22      LEU  26   4.130 -15.021 -17.246
  206   HD23  LEU  26          HD23      LEU  26   4.655 -13.335 -17.169
  207    H    LYS  27           H        LYS  27  -0.884 -15.864 -17.448
  208    HA   LYS  27           HA       LYS  27  -1.257 -13.983 -19.506
  209    HB2  LYS  27           HB2      LYS  27  -2.788 -15.586 -20.493
  210    HB3  LYS  27           HB3      LYS  27  -1.348 -16.391 -19.873
  211    HG2  LYS  27           HG2      LYS  27  -2.667 -17.057 -17.817
  212    HG3  LYS  27           HG3      LYS  27  -4.112 -16.367 -18.564
  213    HD2  LYS  27           HD2      LYS  27  -2.443 -18.643 -19.714
  214    HD3  LYS  27           HD3      LYS  27  -3.954 -18.825 -18.811
  215    HE2  LYS  27           HE2      LYS  27  -5.149 -17.489 -20.546
  216    HE3  LYS  27           HE3      LYS  27  -3.648 -17.356 -21.470
  217    HZ1  LYS  27           HZ1      LYS  27  -3.651 -19.771 -21.701
  218    HZ2  LYS  27           HZ2      LYS  27  -5.042 -19.895 -20.850
  219    HZ3  LYS  27           HZ3      LYS  27  -5.032 -19.145 -22.294
  220    H    GLU  28           H        GLU  28  -3.292 -14.600 -16.641
  221    HA   GLU  28           HA       GLU  28  -5.415 -12.827 -17.681
  222    HB2  GLU  28           HB2      GLU  28  -5.167 -14.784 -15.451
  223    HB3  GLU  28           HB3      GLU  28  -5.971 -13.271 -15.018
  224    HG2  GLU  28           HG2      GLU  28  -7.570 -13.481 -16.809
  225    HG3  GLU  28           HG3      GLU  28  -6.786 -14.961 -17.391
  226    H    VAL  29           H        VAL  29  -2.744 -12.807 -15.317
  227    HA   VAL  29           HA       VAL  29  -3.328 -10.526 -13.847
  228    HB   VAL  29           HB       VAL  29  -0.667 -11.562 -14.880
  229   HG11  VAL  29          HG11      VAL  29  -1.028  -9.494 -12.685
  230   HG12  VAL  29          HG12      VAL  29   0.480 -10.336 -13.091
  231   HG13  VAL  29          HG13      VAL  29  -0.245  -9.237 -14.264
  232   HG21  VAL  29          HG21      VAL  29  -0.451 -12.620 -12.772
  233   HG22  VAL  29          HG22      VAL  29  -1.816 -11.720 -12.074
  234   HG23  VAL  29          HG23      VAL  29  -2.092 -12.972 -13.299
  235    H    LYS  30           H        LYS  30  -1.873 -10.638 -17.110
  236    HA   LYS  30           HA       LYS  30  -1.293  -7.889 -17.238
  237    HB2  LYS  30           HB2      LYS  30  -0.582 -10.040 -18.687
  238    HB3  LYS  30           HB3      LYS  30  -1.924  -9.540 -19.716
  239    HG2  LYS  30           HG2      LYS  30  -0.841  -7.227 -19.845
  240    HG3  LYS  30           HG3      LYS  30   0.513  -7.865 -18.923
  241    HD2  LYS  30           HD2      LYS  30  -0.453  -8.791 -21.673
  242    HD3  LYS  30           HD3      LYS  30   0.960  -7.777 -21.355
  243    HE2  LYS  30           HE2      LYS  30   2.033  -9.642 -20.117
  244    HE3  LYS  30           HE3      LYS  30   0.620 -10.664 -20.417
  245    HZ1  LYS  30           HZ1      LYS  30   2.368 -11.105 -22.020
  246    HZ2  LYS  30           HZ2      LYS  30   1.077 -10.489 -22.795
  247    HZ3  LYS  30           HZ3      LYS  30   2.389  -9.554 -22.524
  248    H    GLU  31           H        GLU  31  -4.410  -9.133 -17.136
  249    HA   GLU  31           HA       GLU  31  -5.403  -6.490 -18.061
  250    HB2  GLU  31           HB2      GLU  31  -6.051  -8.155 -19.736
  251    HB3  GLU  31           HB3      GLU  31  -6.713  -9.213 -18.479
  252    HG2  GLU  31           HG2      GLU  31  -8.400  -7.545 -17.904
  253    HG3  GLU  31           HG3      GLU  31  -7.695  -6.388 -19.038
  254    H    ARG  32           H        ARG  32  -5.967  -9.403 -16.070
  255    HA   ARG  32           HA       ARG  32  -8.029  -8.244 -14.537
  256    HB2  ARG  32           HB2      ARG  32  -7.635 -10.678 -14.974
  257    HB3  ARG  32           HB3      ARG  32  -6.287 -10.636 -13.821
  258    HG2  ARG  32           HG2      ARG  32  -7.781 -10.095 -11.996
  259    HG3  ARG  32           HG3      ARG  32  -9.138  -9.806 -13.101
  260    HD2  ARG  32           HD2      ARG  32  -9.285 -12.134 -13.688
  261    HD3  ARG  32           HD3      ARG  32  -7.725 -12.488 -12.936
  262    HE   ARG  32           HE       ARG  32  -9.575 -11.434 -11.010
  263   HH11  ARG  32          HH11      ARG  32  -8.860 -14.413 -12.844
  264   HH12  ARG  32          HH12      ARG  32  -9.409 -15.465 -11.580
  265   HH21  ARG  32          HH21      ARG  32 -10.330 -12.852  -9.359
  266   HH22  ARG  32          HH22      ARG  32 -10.287 -14.558  -9.580
  267    H    ILE  33           H        ILE  33  -4.518  -7.985 -14.090
  268    HA   ILE  33           HA       ILE  33  -4.693  -7.327 -11.302
  269    HB   ILE  33           HB       ILE  33  -2.519  -7.767 -12.647
  270   HG12  ILE  33          HG12      ILE  33  -1.215  -6.044 -11.203
  271   HG13  ILE  33          HG13      ILE  33  -2.769  -5.509 -10.600
  272   HG21  ILE  33          HG21      ILE  33  -1.359  -5.845 -13.518
  273   HG22  ILE  33          HG22      ILE  33  -2.923  -5.932 -14.354
  274   HG23  ILE  33          HG23      ILE  33  -2.662  -4.774 -13.008
  275   HD11  ILE  33          HD11      ILE  33  -3.201  -7.857  -9.782
  276   HD12  ILE  33          HD12      ILE  33  -1.654  -8.373 -10.485
  277   HD13  ILE  33          HD13      ILE  33  -1.668  -7.222  -9.142
  278    H    ALA  34           H        ALA  34  -5.421  -5.478 -14.289
  279    HA   ALA  34           HA       ALA  34  -5.507  -2.959 -12.971
  280    HB1  ALA  34           HB1      ALA  34  -7.182  -3.897 -15.346
  281    HB2  ALA  34           HB2      ALA  34  -6.843  -2.215 -14.898
  282    HB3  ALA  34           HB3      ALA  34  -5.520  -3.258 -15.465
  283    H    THR  35           H        THR  35  -7.909  -5.563 -13.253
  284    HA   THR  35           HA       THR  35 -10.075  -4.121 -12.077
  285    HB   THR  35           HB       THR  35  -9.684  -7.134 -12.009
  286    HG1  THR  35           HG1      THR  35 -10.469  -7.167 -14.136
  287   HG21  THR  35          HG21      THR  35 -11.743  -6.228 -10.967
  288   HG22  THR  35          HG22      THR  35 -12.143  -5.384 -12.478
  289   HG23  THR  35          HG23      THR  35 -12.119  -7.162 -12.421
  290    H    ALA  36           H        ALA  36  -7.584  -6.331 -10.789
  291    HA   ALA  36           HA       ALA  36  -8.712  -6.311  -8.110
  292    HB1  ALA  36           HB1      ALA  36  -6.087  -7.425  -9.199
  293    HB2  ALA  36           HB2      ALA  36  -6.769  -7.762  -7.594
  294    HB3  ALA  36           HB3      ALA  36  -7.624  -8.304  -9.051
  295    H    VAL  37           H        VAL  37  -6.153  -4.530  -9.736
  296    HA   VAL  37           HA       VAL  37  -5.460  -3.008  -7.312
  297    HB   VAL  37           HB       VAL  37  -3.226  -4.019  -9.081
  298   HG11  VAL  37          HG11      VAL  37  -1.963  -3.781  -7.014
  299   HG12  VAL  37          HG12      VAL  37  -2.795  -2.288  -7.447
  300   HG13  VAL  37          HG13      VAL  37  -3.444  -3.310  -6.143
  301   HG21  VAL  37          HG21      VAL  37  -4.187  -6.097  -8.678
  302   HG22  VAL  37          HG22      VAL  37  -2.774  -5.918  -7.647
  303   HG23  VAL  37          HG23      VAL  37  -4.392  -5.764  -6.921
  304    HA   PRO  38           HA       PRO  38  -5.865  -0.601 -11.270
  305    HB2  PRO  38           HB2      PRO  38  -7.579   1.404 -10.366
  306    HB3  PRO  38           HB3      PRO  38  -8.127  -0.142 -11.077
  307    HG2  PRO  38           HG2      PRO  38  -7.839   0.571  -8.146
  308    HG3  PRO  38           HG3      PRO  38  -9.207  -0.256  -8.958
  309    HD2  PRO  38           HD2      PRO  38  -7.280  -1.645  -7.608
  310    HD3  PRO  38           HD3      PRO  38  -7.999  -2.288  -9.115
  311    H    ASP  39           H        ASP  39  -5.092   0.163  -7.921
  312    HA   ASP  39           HA       ASP  39  -3.731   2.678  -8.438
  313    HB2  ASP  39           HB2      ASP  39  -4.541   2.205  -6.207
  314    HB3  ASP  39           HB3      ASP  39  -3.575   0.726  -6.118
  315    H    LYS  40           H        LYS  40  -2.237   2.500 -10.035
  316    HA   LYS  40           HA       LYS  40  -0.482   0.335 -10.498
  317    HB2  LYS  40           HB2      LYS  40  -0.410   3.287 -11.239
  318    HB3  LYS  40           HB3      LYS  40   0.859   2.178 -11.744
  319    HG2  LYS  40           HG2      LYS  40  -0.831   0.696 -12.804
  320    HG3  LYS  40           HG3      LYS  40  -2.109   1.836 -12.356
  321    HD2  LYS  40           HD2      LYS  40  -1.061   3.581 -13.773
  322    HD3  LYS  40           HD3      LYS  40   0.275   2.485 -14.140
  323    HE2  LYS  40           HE2      LYS  40  -1.196   2.444 -16.022
  324    HE3  LYS  40           HE3      LYS  40  -1.313   0.886 -15.203
  325    HZ1  LYS  40           HZ1      LYS  40  -3.271   3.105 -14.955
  326    HZ2  LYS  40           HZ2      LYS  40  -3.484   1.750 -15.830
  327    HZ3  LYS  40           HZ3      LYS  40  -3.401   1.654 -14.205
  328    H    ASN  41           H        ASN  41  -0.319   2.618  -7.884
  329    HA   ASN  41           HA       ASN  41   2.604   2.189  -7.553
  330    HB2  ASN  41           HB2      ASN  41   1.277   4.499  -7.409
  331    HB3  ASN  41           HB3      ASN  41   0.957   3.961  -5.763
  332   HD21  ASN  41          HD21      ASN  41   3.228   2.983  -4.735
  333   HD22  ASN  41          HD22      ASN  41   4.555   4.125  -4.885
  334    H    ASP  42           H        ASP  42  -0.057   0.364  -6.834
  335    HA   ASP  42           HA       ASP  42   0.389  -0.216  -4.023
  336    HB2  ASP  42           HB2      ASP  42  -1.608  -0.991  -5.440
  337    HB3  ASP  42           HB3      ASP  42  -0.475  -2.204  -6.108
  338    H    THR  43           H        THR  43   1.789  -1.789  -3.130
  339    HA   THR  43           HA       THR  43   4.056  -2.547  -4.750
  340    HB   THR  43           HB       THR  43   3.480  -3.336  -1.883
  341    HG1  THR  43           HG1      THR  43   3.522  -1.215  -1.811
  342   HG21  THR  43          HG21      THR  43   5.155  -4.642  -3.030
  343   HG22  THR  43          HG22      THR  43   5.962  -3.181  -3.624
  344   HG23  THR  43          HG23      THR  43   5.950  -3.550  -1.868
  345    H    VAL  44           H        VAL  44   2.981  -3.774  -6.356
  346    HA   VAL  44           HA       VAL  44   1.652  -6.278  -5.634
  347    HB   VAL  44           HB       VAL  44   2.677  -5.372  -8.369
  348   HG11  VAL  44          HG11      VAL  44   2.201  -7.825  -8.155
  349   HG12  VAL  44          HG12      VAL  44   0.580  -7.435  -7.551
  350   HG13  VAL  44          HG13      VAL  44   1.038  -7.020  -9.218
  351   HG21  VAL  44          HG21      VAL  44   1.037  -3.727  -7.580
  352   HG22  VAL  44          HG22      VAL  44   0.283  -4.756  -8.799
  353   HG23  VAL  44          HG23      VAL  44  -0.060  -5.029  -7.075
  354    H    LYS  45           H        LYS  45   2.876  -7.827  -4.698
  355    HA   LYS  45           HA       LYS  45   5.686  -8.243  -5.545
  356    HB2  LYS  45           HB2      LYS  45   4.143  -9.479  -3.216
  357    HB3  LYS  45           HB3      LYS  45   5.865  -9.669  -3.585
  358    HG2  LYS  45           HG2      LYS  45   6.018  -7.113  -3.472
  359    HG3  LYS  45           HG3      LYS  45   4.378  -7.145  -2.796
  360    HD2  LYS  45           HD2      LYS  45   5.058  -8.086  -0.795
  361    HD3  LYS  45           HD3      LYS  45   6.543  -8.793  -1.477
  362    HE2  LYS  45           HE2      LYS  45   7.613  -6.650  -1.648
  363    HE3  LYS  45           HE3      LYS  45   6.108  -5.789  -1.297
  364    HZ1  LYS  45           HZ1      LYS  45   7.403  -7.544   0.695
  365    HZ2  LYS  45           HZ2      LYS  45   7.681  -5.938   0.591
  366    HZ3  LYS  45           HZ3      LYS  45   6.170  -6.451   0.918
  367    H    VAL  46           H        VAL  46   5.580  -9.295  -7.509
  368    HA   VAL  46           HA       VAL  46   3.628 -11.457  -7.921
  369    HB   VAL  46           HB       VAL  46   4.830 -11.747 -10.096
  370   HG11  VAL  46          HG11      VAL  46   3.881  -9.739 -11.116
  371   HG12  VAL  46          HG12      VAL  46   2.800 -10.339  -9.849
  372   HG13  VAL  46          HG13      VAL  46   3.828  -8.920  -9.544
  373   HG21  VAL  46          HG21      VAL  46   7.059 -10.774  -9.474
  374   HG22  VAL  46          HG22      VAL  46   6.356 -10.043 -10.921
  375   HG23  VAL  46          HG23      VAL  46   6.305  -9.166  -9.393
  376    H    TYR  47           H        TYR  47   4.030 -13.659  -7.704
  377    HA   TYR  47           HA       TYR  47   6.816 -14.557  -7.510
  378    HB2  TYR  47           HB2      TYR  47   6.651 -15.651  -5.488
  379    HB3  TYR  47           HB3      TYR  47   5.990 -14.072  -5.159
  380    HD1  TYR  47           HD2      TYR  47   3.577 -13.761  -4.692
  381    HD2  TYR  47           HD1      TYR  47   5.281 -17.676  -5.315
  382    HE1  TYR  47           HE2      TYR  47   1.658 -14.783  -3.521
  383    HE2  TYR  47           HE1      TYR  47   3.353 -18.707  -4.159
  384    HH   TYR  47           HH       TYR  47   0.654 -16.773  -2.824
  385    H    CYS  48           H        CYS  48   7.007 -16.927  -7.919
  386    HA   CYS  48           HA       CYS  48   4.608 -18.201  -9.025
  387    HB2  CYS  48           HB2      CYS  48   5.806 -18.766 -11.100
  388    HB3  CYS  48           HB3      CYS  48   5.714 -17.028 -10.884
  389    HG   CYS  48           HG       CYS  48   8.142 -16.724  -9.916
  390    H    ASN  49           H        ASN  49   6.713 -20.362  -9.976
  391    HA   ASN  49           HA       ASN  49   6.566 -21.879  -7.494
  392    HB2  ASN  49           HB2      ASN  49   6.442 -22.999  -9.682
  393    HB3  ASN  49           HB3      ASN  49   8.078 -22.460 -10.078
  394   HD21  ASN  49          HD22      ASN  49   6.160 -24.614  -7.942
  395   HD22  ASN  49          HD21      ASN  49   7.524 -25.585  -7.438
  396    H    ALA  50           H        ALA  50   9.270 -20.327  -9.311
  397    HA   ALA  50           HA       ALA  50  10.801 -20.180  -6.762
  398    HB1  ALA  50           HB1      ALA  50  11.870 -21.383  -9.349
  399    HB2  ALA  50           HB2      ALA  50  12.794 -21.107  -7.856
  400    HB3  ALA  50           HB3      ALA  50  11.463 -22.278  -7.865
  401    H    GLY  51           H        GLY  51  10.209 -18.803 -10.011
  402    HA2  GLY  51           HA2      GLY  51  10.694 -16.249  -9.378
  403    HA3  GLY  51           HA3      GLY  51  12.343 -16.803  -9.668
  404    H    ARG  52           H        ARG  52  11.327 -18.666 -11.930
  405    HA   ARG  52           HA       ARG  52  12.097 -16.859 -13.899
  406    HB2  ARG  52           HB2      ARG  52  11.670 -18.567 -15.546
  407    HB3  ARG  52           HB3      ARG  52  12.460 -19.224 -14.121
  408    HG2  ARG  52           HG2      ARG  52  10.225 -20.113 -13.344
  409    HG3  ARG  52           HG3      ARG  52   9.520 -19.579 -14.878
  410    HD2  ARG  52           HD2      ARG  52  11.833 -21.538 -14.597
  411    HD3  ARG  52           HD3      ARG  52  10.138 -21.991 -14.841
  412    HE   ARG  52           HE       ARG  52  10.668 -20.266 -16.928
  413   HH11  ARG  52          HH11      ARG  52  12.048 -23.342 -15.819
  414   HH12  ARG  52          HH12      ARG  52  12.553 -23.848 -17.388
  415   HH21  ARG  52          HH21      ARG  52  11.353 -20.930 -19.022
  416   HH22  ARG  52          HH22      ARG  52  12.140 -22.443 -19.248
  417    H    GLN  53           H        GLN  53   8.687 -17.952 -13.336
  418    HA   GLN  53           HA       GLN  53   7.810 -16.326 -15.576
  419    HB2  GLN  53           HB2      GLN  53   6.740 -18.477 -14.809
  420    HB3  GLN  53           HB3      GLN  53   6.050 -17.585 -13.437
  421    HG2  GLN  53           HG2      GLN  53   4.623 -16.344 -14.786
  422    HG3  GLN  53           HG3      GLN  53   5.604 -16.588 -16.241
  423   HE21  GLN  53          HE22      GLN  53   2.839 -17.793 -14.465
  424   HE22  GLN  53          HE21      GLN  53   2.579 -19.185 -15.492
  425    H    SER  54           H        SER  54   8.022 -15.851 -12.020
  426    HA   SER  54           HA       SER  54   6.414 -13.456 -12.045
  427    HB2  SER  54           HB2      SER  54   7.385 -13.159  -9.759
  428    HB3  SER  54           HB3      SER  54   6.614 -14.729 -10.035
  429    HG   SER  54           HG       SER  54   8.666 -15.014  -9.027
  430    H    GLY  55           H        GLY  55   9.891 -14.172 -12.567
  431    HA2  GLY  55           HA2      GLY  55  10.871 -11.514 -12.480
  432    HA3  GLY  55           HA3      GLY  55  11.543 -12.851 -13.440
  433    H    GLN  56           H        GLN  56   9.622 -13.467 -15.251
  434    HA   GLN  56           HA       GLN  56   9.643 -11.348 -17.132
  435    HB2  GLN  56           HB2      GLN  56   9.431 -13.760 -17.695
  436    HB3  GLN  56           HB3      GLN  56   7.815 -13.787 -16.978
  437    HG2  GLN  56           HG2      GLN  56   7.712 -13.687 -19.414
  438    HG3  GLN  56           HG3      GLN  56   6.970 -12.283 -18.678
  439   HE21  GLN  56          HE22      GLN  56   8.139 -10.183 -18.785
  440   HE22  GLN  56          HE21      GLN  56   9.309  -9.934 -20.066
  441    H    ALA  57           H        ALA  57   7.120 -12.391 -14.781
  442    HA   ALA  57           HA       ALA  57   5.126 -10.580 -15.571
  443    HB1  ALA  57           HB1      ALA  57   5.623 -11.492 -12.717
  444    HB2  ALA  57           HB2      ALA  57   4.098 -10.980 -13.441
  445    HB3  ALA  57           HB3      ALA  57   4.854 -12.503 -13.961
  446    H    LYS  58           H        LYS  58   7.885 -10.050 -13.278
  447    HA   LYS  58           HA       LYS  58   6.980  -7.542 -12.398
  448    HB2  LYS  58           HB2      LYS  58   8.728  -8.590 -11.194
  449    HB3  LYS  58           HB3      LYS  58   9.837  -8.534 -12.580
  450    HG2  LYS  58           HG2      LYS  58  10.058  -6.176 -12.473
  451    HG3  LYS  58           HG3      LYS  58   8.607  -5.975 -11.489
  452    HD2  LYS  58           HD2      LYS  58   9.699  -6.957  -9.555
  453    HD3  LYS  58           HD3      LYS  58  11.186  -7.241 -10.477
  454    HE2  LYS  58           HE2      LYS  58   9.910  -4.518  -9.903
  455    HE3  LYS  58           HE3      LYS  58  11.262  -5.216  -9.009
  456    HZ1  LYS  58           HZ1      LYS  58  11.328  -4.463 -11.875
  457    HZ2  LYS  58           HZ2      LYS  58  12.052  -3.671 -10.652
  458    HZ3  LYS  58           HZ3      LYS  58  12.569  -5.158 -11.059
  459    H    GLU  59           H        GLU  59   8.882  -8.466 -15.283
  460    HA   GLU  59           HA       GLU  59   9.453  -5.749 -16.102
  461    HB2  GLU  59           HB2      GLU  59   9.501  -8.401 -17.611
  462    HB3  GLU  59           HB3      GLU  59  10.010  -6.852 -18.298
  463    HG2  GLU  59           HG2      GLU  59  11.700  -6.612 -16.479
  464    HG3  GLU  59           HG3      GLU  59  11.244  -8.195 -15.853
  465    H    ILE  60           H        ILE  60   6.958  -8.177 -16.960
  466    HA   ILE  60           HA       ILE  60   5.565  -6.690 -18.909
  467    HB   ILE  60           HB       ILE  60   4.887  -8.894 -16.963
  468   HG12  ILE  60          HG12      ILE  60   4.776  -8.821 -20.006
  469   HG13  ILE  60          HG13      ILE  60   6.238  -9.210 -19.109
  470   HG21  ILE  60          HG21      ILE  60   2.857  -7.629 -18.822
  471   HG22  ILE  60          HG22      ILE  60   2.644  -9.173 -17.945
  472   HG23  ILE  60          HG23      ILE  60   2.792  -7.687 -17.043
  473   HD11  ILE  60          HD11      ILE  60   3.647 -10.815 -19.033
  474   HD12  ILE  60          HD12      ILE  60   5.174 -11.265 -19.796
  475   HD13  ILE  60          HD13      ILE  60   5.080 -11.131 -18.029
  476    H    LEU  61           H        LEU  61   5.043  -6.726 -15.317
  477    HA   LEU  61           HA       LEU  61   2.929  -4.777 -15.562
  478    HB2  LEU  61           HB2      LEU  61   4.525  -5.738 -13.170
  479    HB3  LEU  61           HB3      LEU  61   3.166  -4.611 -13.069
  480    HG   LEU  61           HG       LEU  61   3.060  -7.511 -13.982
  481   HD11  LEU  61          HD11      LEU  61   3.191  -7.114 -11.538
  482   HD12  LEU  61          HD12      LEU  61   1.763  -6.059 -11.635
  483   HD13  LEU  61          HD13      LEU  61   1.627  -7.792 -12.013
  484   HD21  LEU  61          HD21      LEU  61   0.897  -5.378 -14.069
  485   HD22  LEU  61          HD22      LEU  61   1.473  -6.414 -15.404
  486   HD23  LEU  61          HD23      LEU  61   0.556  -7.122 -14.083
  487    H    SER  62           H        SER  62   6.437  -4.481 -15.064
  488    HA   SER  62           HA       SER  62   6.415  -1.678 -14.456
  489    HB2  SER  62           HB2      SER  62   8.539  -3.313 -15.908
  490    HB3  SER  62           HB3      SER  62   8.754  -1.724 -15.155
  491    HG   SER  62           HG       SER  62   8.148  -4.207 -13.901
  492    H    GLU  63           H        GLU  63   6.478  -3.495 -17.601
  493    HA   GLU  63           HA       GLU  63   6.490  -1.145 -19.221
  494    HB2  GLU  63           HB2      GLU  63   5.689  -4.032 -19.738
  495    HB3  GLU  63           HB3      GLU  63   5.606  -2.797 -20.987
  496    HG2  GLU  63           HG2      GLU  63   8.158  -3.499 -19.471
  497    HG3  GLU  63           HG3      GLU  63   7.695  -4.189 -21.020
  498    H    MET  64           H        MET  64   3.832  -3.004 -17.713
  499    HA   MET  64           HA       MET  64   1.710  -1.476 -18.943
  500    HB2  MET  64           HB2      MET  64   1.735  -3.011 -16.309
  501    HB3  MET  64           HB3      MET  64   0.320  -2.322 -17.081
  502    HG2  MET  64           HG2      MET  64   1.586  -3.905 -19.075
  503    HG3  MET  64           HG3      MET  64   1.610  -4.860 -17.598
  504    HE1  MET  64           HE1      MET  64  -2.223  -5.151 -16.716
  505    HE2  MET  64           HE2      MET  64  -0.598  -5.748 -16.331
  506    HE3  MET  64           HE3      MET  64  -1.010  -4.041 -16.046
  507    H    GLY  65           H        GLY  65   4.133  -0.453 -16.784
  508    HA2  GLY  65           HA2      GLY  65   4.441   1.703 -16.085
  509    HA3  GLY  65           HA3      GLY  65   2.749   2.091 -16.425
  510    H    TYR  66           H        TYR  66   3.286  -0.768 -14.433
  511    HA   TYR  66           HA       TYR  66   2.194   0.569 -12.065
  512    HB2  TYR  66           HB2      TYR  66   3.213  -2.228 -12.608
  513    HB3  TYR  66           HB3      TYR  66   2.900  -1.636 -10.982
  514    HD1  TYR  66           HD1      TYR  66   1.069  -1.612 -14.312
  515    HD2  TYR  66           HD2      TYR  66   0.875  -2.263 -10.046
  516    HE1  TYR  66           HE1      TYR  66  -1.377  -1.929 -14.473
  517    HE2  TYR  66           HE2      TYR  66  -1.562  -2.677 -10.224
  518    HH   TYR  66           HH       TYR  66  -3.418  -2.344 -11.549
  519    H    THR  67           H        THR  67   3.378   1.510 -10.460
  520    HA   THR  67           HA       THR  67   6.198   2.014 -11.137
  521    HB   THR  67           HB       THR  67   5.730   3.981  -9.544
  522    HG1  THR  67           HG1      THR  67   3.627   4.371  -9.055
  523   HG21  THR  67          HG21      THR  67   5.670   4.167 -12.043
  524   HG22  THR  67          HG22      THR  67   3.938   3.770 -12.001
  525   HG23  THR  67          HG23      THR  67   4.532   5.257 -11.234
  526    H    HIS  68           H        HIS  68   4.573   0.019  -8.908
  527    HA   HIS  68           HA       HIS  68   6.933   0.076  -7.121
  528    HB2  HIS  68           HB2      HIS  68   4.470   1.244  -6.495
  529    HB3  HIS  68           HB3      HIS  68   4.335  -0.329  -5.737
  530    HD1  HIS  68           HD1      HIS  68   5.402  -0.376  -3.313
  531    HD2  HIS  68           HD2      HIS  68   6.795   2.683  -5.858
  532    HE1  HIS  68           HE1      HIS  68   6.965   1.059  -1.915
  533    H    VAL  69           H        VAL  69   6.244  -1.733  -9.238
  534    HA   VAL  69           HA       VAL  69   5.277  -4.232  -8.149
  535    HB   VAL  69           HB       VAL  69   7.179  -3.891 -10.509
  536   HG11  VAL  69          HG11      VAL  69   5.990  -5.925 -11.339
  537   HG12  VAL  69          HG12      VAL  69   6.841  -6.230  -9.823
  538   HG13  VAL  69          HG13      VAL  69   5.078  -6.004  -9.820
  539   HG21  VAL  69          HG21      VAL  69   5.232  -3.764 -11.983
  540   HG22  VAL  69          HG22      VAL  69   4.140  -3.718 -10.574
  541   HG23  VAL  69          HG23      VAL  69   5.274  -2.382 -10.912
  542    H    GLU  70           H        GLU  70   6.493  -5.955  -7.273
  543    HA   GLU  70           HA       GLU  70   9.417  -5.682  -7.191
  544    HB2  GLU  70           HB2      GLU  70   8.568  -4.832  -4.989
  545    HB3  GLU  70           HB3      GLU  70   7.723  -6.368  -4.752
  546    HG2  GLU  70           HG2      GLU  70   9.808  -6.306  -3.492
  547    HG3  GLU  70           HG3      GLU  70   9.827  -7.583  -4.704
  548    H    ASN  71           H        ASN  71  10.434  -7.753  -7.006
  549    HA   ASN  71           HA       ASN  71   8.677 -10.008  -7.909
  550    HB2  ASN  71           HB2      ASN  71  10.452  -9.369  -9.543
  551    HB3  ASN  71           HB3      ASN  71  11.682  -9.601  -8.289
  552   HD21  ASN  71          HD22      ASN  71   9.233 -11.215 -10.326
  553   HD22  ASN  71          HD21      ASN  71   9.771 -12.852  -9.958
  554    H    ALA  72           H        ALA  72   8.381 -11.569  -6.417
  555    HA   ALA  72           HA       ALA  72  10.173 -11.589  -4.044
  556    HB1  ALA  72           HB1      ALA  72   7.870 -11.029  -3.552
  557    HB2  ALA  72           HB2      ALA  72   7.294 -12.490  -4.379
  558    HB3  ALA  72           HB3      ALA  72   8.253 -12.625  -2.890
  559    H    GLY  73           H        GLY  73  10.401 -13.072  -6.843
  560    HA2  GLY  73           HA2      GLY  73  11.366 -15.035  -7.495
  561    HA3  GLY  73           HA3      GLY  73  11.577 -15.472  -5.791
  562    H    GLY  74           H        GLY  74  10.279 -17.128  -5.006
  563    HA2  GLY  74           HA2      GLY  74   7.604 -17.536  -5.948
  564    HA3  GLY  74           HA3      GLY  74   8.715 -18.718  -6.637
  565    H    LEU  75           H        LEU  75   6.762 -19.696  -5.136
  566    HA   LEU  75           HA       LEU  75   6.845 -19.474  -2.387
  567    HB2  LEU  75           HB2      LEU  75   5.061 -20.578  -3.880
  568    HB3  LEU  75           HB3      LEU  75   6.098 -22.001  -3.930
  569    HG   LEU  75           HG       LEU  75   5.952 -22.030  -1.346
  570   HD11  LEU  75          HD11      LEU  75   3.700 -20.064  -1.965
  571   HD12  LEU  75          HD12      LEU  75   3.903 -20.903  -0.419
  572   HD13  LEU  75          HD13      LEU  75   5.129 -19.747  -0.960
  573   HD21  LEU  75          HD21      LEU  75   3.382 -22.429  -2.897
  574   HD22  LEU  75          HD22      LEU  75   4.723 -23.600  -2.792
  575   HD23  LEU  75          HD23      LEU  75   3.812 -23.166  -1.345
  576    H    LYS  76           H        LYS  76   8.839 -21.640  -4.409
  577    HA   LYS  76           HA       LYS  76   9.767 -23.264  -2.223
  578    HB2  LYS  76           HB2      LYS  76  10.963 -22.721  -4.983
  579    HB3  LYS  76           HB3      LYS  76  11.528 -23.975  -3.893
  580    HG2  LYS  76           HG2      LYS  76   8.775 -23.831  -5.195
  581    HG3  LYS  76           HG3      LYS  76  10.088 -24.903  -5.642
  582    HD2  LYS  76           HD2      LYS  76   8.493 -24.945  -3.047
  583    HD3  LYS  76           HD3      LYS  76   8.375 -26.096  -4.362
  584    HE2  LYS  76           HE2      LYS  76  10.855 -25.673  -2.626
  585    HE3  LYS  76           HE3      LYS  76   9.651 -26.937  -2.387
  586    HZ1  LYS  76           HZ1      LYS  76  11.537 -27.777  -3.601
  587    HZ2  LYS  76           HZ2      LYS  76  10.227 -27.835  -4.561
  588    HZ3  LYS  76           HZ3      LYS  76  11.365 -26.680  -4.791
  589    H    ASP  77           H        ASP  77  10.543 -20.021  -2.975
  590    HA   ASP  77           HA       ASP  77  13.102 -20.203  -1.428
  591    HB2  ASP  77           HB2      ASP  77  13.425 -19.608  -3.788
  592    HB3  ASP  77           HB3      ASP  77  12.267 -18.285  -3.631
  593    H    ILE  78           H        ILE  78   9.919 -18.746  -1.653
  594    HA   ILE  78           HA       ILE  78  10.403 -16.437  -0.020
  595    HB   ILE  78           HB       ILE  78   7.915 -18.009  -0.796
  596   HG12  ILE  78          HG12      ILE  78   8.893 -15.192  -1.470
  597   HG13  ILE  78          HG13      ILE  78   9.138 -16.605  -2.485
  598   HG21  ILE  78          HG21      ILE  78   6.562 -16.120   0.175
  599   HG22  ILE  78          HG22      ILE  78   7.352 -17.103   1.378
  600   HG23  ILE  78          HG23      ILE  78   8.029 -15.499   0.937
  601   HD11  ILE  78          HD11      ILE  78   7.340 -15.353  -3.381
  602   HD12  ILE  78          HD12      ILE  78   6.663 -16.858  -2.721
  603   HD13  ILE  78          HD13      ILE  78   6.472 -15.308  -1.856
  604    H    ALA  79           H        ALA  79  10.457 -16.181   2.166
  605    HA   ALA  79           HA       ALA  79  10.075 -18.582   3.870
  606    HB1  ALA  79           HB1      ALA  79  12.426 -17.766   3.704
  607    HB2  ALA  79           HB2      ALA  79  11.903 -16.181   4.323
  608    HB3  ALA  79           HB3      ALA  79  11.788 -17.626   5.351
  609    H    MET  80           H        MET  80   8.084 -16.683   3.005
  610    HA   MET  80           HA       MET  80   7.115 -15.382   5.483
  611    HB2  MET  80           HB2      MET  80   5.882 -15.681   2.705
  612    HB3  MET  80           HB3      MET  80   5.084 -14.889   4.048
  613    HG2  MET  80           HG2      MET  80   7.729 -14.010   2.834
  614    HG3  MET  80           HG3      MET  80   6.159 -13.306   2.476
  615    HE1  MET  80           HE1      MET  80   5.223 -11.283   5.620
  616    HE2  MET  80           HE2      MET  80   4.871 -11.644   3.916
  617    HE3  MET  80           HE3      MET  80   4.627 -12.890   5.162
  618    HA   PRO  81           HA       PRO  81   4.625 -18.936   6.733
  619    HB2  PRO  81           HB2      PRO  81   2.330 -16.973   6.816
  620    HB3  PRO  81           HB3      PRO  81   2.812 -18.189   8.039
  621    HG2  PRO  81           HG2      PRO  81   3.430 -15.575   8.391
  622    HG3  PRO  81           HG3      PRO  81   4.654 -16.838   8.750
  623    HD2  PRO  81           HD2      PRO  81   4.399 -15.118   6.274
  624    HD3  PRO  81           HD3      PRO  81   5.861 -15.534   7.221
  625    H    LYS  82           H        LYS  82   2.892 -20.318   5.946
  626    HA   LYS  82           HA       LYS  82   1.836 -19.678   3.244
  627    HB2  LYS  82           HB2      LYS  82   3.360 -22.211   4.007
  628    HB3  LYS  82           HB3      LYS  82   2.541 -21.926   2.467
  629    HG2  LYS  82           HG2      LYS  82   4.057 -20.057   1.956
  630    HG3  LYS  82           HG3      LYS  82   4.846 -20.257   3.528
  631    HD2  LYS  82           HD2      LYS  82   5.563 -22.557   2.879
  632    HD3  LYS  82           HD3      LYS  82   4.858 -22.294   1.281
  633    HE2  LYS  82           HE2      LYS  82   7.233 -21.852   1.140
  634    HE3  LYS  82           HE3      LYS  82   6.369 -20.329   0.945
  635    HZ1  LYS  82           HZ1      LYS  82   8.262 -20.118   2.413
  636    HZ2  LYS  82           HZ2      LYS  82   6.892 -19.811   3.280
  637    HZ3  LYS  82           HZ3      LYS  82   7.680 -21.246   3.443
  638    H    VAL  83           H        VAL  83   0.161 -21.219   2.599
  639    HA   VAL  83           HA       VAL  83  -1.293 -22.532   4.841
  640    HB   VAL  83           HB       VAL  83  -2.405 -20.622   2.736
  641   HG11  VAL  83          HG11      VAL  83  -3.860 -22.165   4.938
  642   HG12  VAL  83          HG12      VAL  83  -4.585 -20.917   3.900
  643   HG13  VAL  83          HG13      VAL  83  -4.019 -22.424   3.185
  644   HG21  VAL  83          HG21      VAL  83  -1.332 -19.381   4.572
  645   HG22  VAL  83          HG22      VAL  83  -3.084 -19.212   4.669
  646   HG23  VAL  83          HG23      VAL  83  -2.241 -20.324   5.771
  647    H    LYS  84           H        LYS  84  -1.778 -24.574   4.249
  648    HA   LYS  84           HA       LYS  84  -1.290 -25.473   1.470
  649    HB2  LYS  84           HB2      LYS  84  -1.831 -26.951   4.077
  650    HB3  LYS  84           HB3      LYS  84  -1.719 -27.743   2.499
  651    HG2  LYS  84           HG2      LYS  84   0.573 -26.949   2.185
  652    HG3  LYS  84           HG3      LYS  84   0.510 -26.062   3.722
  653    HD2  LYS  84           HD2      LYS  84   0.265 -28.151   4.977
  654    HD3  LYS  84           HD3      LYS  84   0.126 -29.076   3.480
  655    HE2  LYS  84           HE2      LYS  84   2.345 -29.351   4.437
  656    HE3  LYS  84           HE3      LYS  84   2.433 -28.557   2.863
  657    HZ1  LYS  84           HZ1      LYS  84   2.567 -27.097   5.437
  658    HZ2  LYS  84           HZ2      LYS  84   3.870 -27.558   4.570
  659    HZ3  LYS  84           HZ3      LYS  84   2.836 -26.475   3.926
  660    H    GLY  85           H        GLY  85  -2.897 -26.760   0.381
  661    HA2  GLY  85           HA2      GLY  85  -5.563 -25.794   0.325
  662    HA3  GLY  85           HA3      GLY  85  -4.991 -27.334  -0.343
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1   0.151   0.522   1.854
    2    H2   ALA   1           H2       ALA   1   0.423  -1.089   1.950
    3    H3   ALA   1           H3       ALA   1   1.686  -0.053   1.893
    4    HA   ALA   1           HA       ALA   1  -0.244  -0.504  -0.288
    5    HB1  ALA   1           HB1      ALA   1   1.180   0.966  -1.640
    6    HB2  ALA   1           HB2      ALA   1   0.520   1.828  -0.247
    7    HB3  ALA   1           HB3      ALA   1   2.216   1.292  -0.238
    8    H    GLU   2           H        GLU   2   0.297  -2.891   0.237
    9    HA   GLU   2           HA       GLU   2   2.325  -3.712  -1.631
   10    HB2  GLU   2           HB2      GLU   2   3.664  -3.573   0.487
   11    HB3  GLU   2           HB3      GLU   2   2.484  -4.608   1.293
   12    HG2  GLU   2           HG2      GLU   2   3.060  -6.445  -0.341
   13    HG3  GLU   2           HG3      GLU   2   4.295  -5.390  -1.031
   14    H    HIS   3           H        HIS   3   1.785  -5.731  -2.451
   15    HA   HIS   3           HA       HIS   3  -0.158  -7.495  -1.147
   16    HB2  HIS   3           HB2      HIS   3  -0.434  -6.570  -4.050
   17    HB3  HIS   3           HB3      HIS   3  -1.300  -7.914  -3.317
   18    HD1  HIS   3           HD1      HIS   3  -2.842  -6.931  -0.966
   19    HD2  HIS   3           HD2      HIS   3  -1.971  -4.524  -4.309
   20    HE1  HIS   3           HE1      HIS   3  -4.603  -5.096  -1.002
   21    H    TRP   4           H        TRP   4   0.012  -9.685  -2.306
   22    HA   TRP   4           HA       TRP   4   2.505  -9.987  -3.887
   23    HB2  TRP   4           HB2      TRP   4   1.567 -11.704  -1.542
   24    HB3  TRP   4           HB3      TRP   4   2.854 -12.156  -2.647
   25    HD1  TRP   4           HD1      TRP   4   2.166  -9.239  -0.178
   26    HE1  TRP   4           HE1      TRP   4   4.289  -8.691   1.106
   27    HE3  TRP   4           HE3      TRP   4   5.328 -12.627  -2.413
   28    HZ2  TRP   4           HZ2      TRP   4   6.947  -9.837   1.390
   29    HZ3  TRP   4           HZ3      TRP   4   7.620 -12.914  -1.539
   30    HH2  TRP   4           HH2      TRP   4   8.448 -11.530   0.345
   31    H    ILE   5           H        ILE   5   1.936 -10.998  -5.759
   32    HA   ILE   5           HA       ILE   5  -0.493 -12.735  -5.728
   33    HB   ILE   5           HB       ILE   5   0.347 -10.785  -7.903
   34   HG12  ILE   5          HG12      ILE   5  -1.866  -9.851  -7.757
   35   HG13  ILE   5          HG13      ILE   5  -2.375 -11.009  -6.537
   36   HG21  ILE   5          HG21      ILE   5  -1.739 -13.015  -7.834
   37   HG22  ILE   5          HG22      ILE   5  -1.708 -11.743  -9.065
   38   HG23  ILE   5          HG23      ILE   5  -0.362 -12.873  -8.950
   39   HD11  ILE   5          HD11      ILE   5  -1.329  -9.830  -4.825
   40   HD12  ILE   5          HD12      ILE   5  -0.171  -9.046  -5.917
   41   HD13  ILE   5          HD13      ILE   5  -1.876  -8.541  -5.894
   42    H    ASP   6           H        ASP   6   0.090 -14.697  -5.988
   43    HA   ASP   6           HA       ASP   6   2.570 -15.668  -7.144
   44    HB2  ASP   6           HB2      ASP   6   1.341 -16.858  -5.368
   45    HB3  ASP   6           HB3      ASP   6  -0.087 -16.914  -6.376
   46    H    VAL   7           H        VAL   7   2.835 -16.001  -9.332
   47    HA   VAL   7           HA       VAL   7   0.447 -15.860 -11.102
   48    HB   VAL   7           HB       VAL   7   1.861 -14.860 -12.790
   49   HG11  VAL   7          HG11      VAL   7   2.096 -13.323 -10.176
   50   HG12  VAL   7          HG12      VAL   7   2.165 -12.655 -11.816
   51   HG13  VAL   7          HG13      VAL   7   0.663 -13.385 -11.221
   52   HG21  VAL   7          HG21      VAL   7   4.124 -14.154 -12.451
   53   HG22  VAL   7          HG22      VAL   7   4.118 -14.655 -10.761
   54   HG23  VAL   7          HG23      VAL   7   4.066 -15.866 -12.061
   55    H    ARG   8           H        ARG   8   2.251 -18.223  -9.816
   56    HA   ARG   8           HA       ARG   8   2.842 -19.694 -12.291
   57    HB2  ARG   8           HB2      ARG   8   3.688 -21.393 -10.984
   58    HB3  ARG   8           HB3      ARG   8   3.915 -20.009  -9.877
   59    HG2  ARG   8           HG2      ARG   8   1.782 -20.519  -8.883
   60    HG3  ARG   8           HG3      ARG   8   1.865 -22.112  -9.679
   61    HD2  ARG   8           HD2      ARG   8   3.192 -22.881  -8.028
   62    HD3  ARG   8           HD3      ARG   8   4.395 -21.658  -8.390
   63    HE   ARG   8           HE       ARG   8   2.727 -20.144  -7.067
   64   HH11  ARG   8          HH21      ARG   8   3.737 -23.432  -6.017
   65   HH12  ARG   8          HH22      ARG   8   2.765 -23.357  -4.570
   66   HH21  ARG   8          HH11      ARG   8   1.428 -20.210  -5.258
   67   HH22  ARG   8          HH12      ARG   8   1.611 -21.489  -4.046
   68    H    VAL   9           H        VAL   9   1.754 -21.954 -12.478
   69    HA   VAL   9           HA       VAL   9  -0.922 -21.527 -13.086
   70    HB   VAL   9           HB       VAL   9  -1.039 -23.972 -13.486
   71   HG11  VAL   9          HG11      VAL   9  -0.097 -22.426 -15.176
   72   HG12  VAL   9          HG12      VAL   9   1.535 -22.722 -14.536
   73   HG13  VAL   9          HG13      VAL   9   0.608 -24.045 -15.264
   74   HG21  VAL   9          HG21      VAL   9   1.803 -24.080 -12.364
   75   HG22  VAL   9          HG22      VAL   9   0.361 -24.826 -11.641
   76   HG23  VAL   9          HG23      VAL   9   0.952 -25.391 -13.205
   77    HA   PRO  10           HA       PRO  10  -2.842 -21.607  -9.252
   78    HB2  PRO  10           HB2      PRO  10  -5.443 -22.367  -9.751
   79    HB3  PRO  10           HB3      PRO  10  -4.728 -20.795 -10.233
   80    HG2  PRO  10           HG2      PRO  10  -5.032 -23.286 -11.927
   81    HG3  PRO  10           HG3      PRO  10  -5.468 -21.597 -12.346
   82    HD2  PRO  10           HD2      PRO  10  -3.114 -22.662 -13.160
   83    HD3  PRO  10           HD3      PRO  10  -3.197 -20.972 -12.588
   84    H    GLU  11           H        GLU  11  -2.975 -24.746 -10.985
   85    HA   GLU  11           HA       GLU  11  -3.937 -26.321  -8.862
   86    HB2  GLU  11           HB2      GLU  11  -1.865 -27.110 -10.963
   87    HB3  GLU  11           HB3      GLU  11  -2.806 -28.198  -9.952
   88    HG2  GLU  11           HG2      GLU  11  -4.140 -28.324 -11.747
   89    HG3  GLU  11           HG3      GLU  11  -4.881 -26.889 -11.054
   90    H    GLN  12           H        GLN  12  -0.773 -24.783  -9.175
   91    HA   GLN  12           HA       GLN  12   0.400 -26.480  -7.050
   92    HB2  GLN  12           HB2      GLN  12   1.415 -24.064  -8.566
   93    HB3  GLN  12           HB3      GLN  12   2.311 -24.901  -7.281
   94    HG2  GLN  12           HG2      GLN  12   2.285 -26.991  -8.606
   95    HG3  GLN  12           HG3      GLN  12   1.387 -26.176  -9.887
   96   HE21  GLN  12          HE22      GLN  12   3.064 -26.518 -11.473
   97   HE22  GLN  12          HE21      GLN  12   4.578 -25.655 -11.394
   98    H    TYR  13           H        TYR  13  -1.116 -23.258  -7.425
   99    HA   TYR  13           HA       TYR  13  -0.594 -22.304  -4.765
  100    HB2  TYR  13           HB2      TYR  13  -1.369 -20.597  -6.008
  101    HB3  TYR  13           HB3      TYR  13  -2.329 -21.599  -7.061
  102    HD1  TYR  13           HD1      TYR  13  -2.356 -19.638  -3.936
  103    HD2  TYR  13           HD2      TYR  13  -4.680 -22.081  -6.622
  104    HE1  TYR  13           HE1      TYR  13  -4.430 -18.849  -2.848
  105    HE2  TYR  13           HE2      TYR  13  -6.760 -21.302  -5.543
  106    HH   TYR  13           HH       TYR  13  -7.693 -19.950  -3.885
  107    H    GLN  14           H        GLN  14  -3.147 -24.387  -6.167
  108    HA   GLN  14           HA       GLN  14  -4.668 -24.700  -3.803
  109    HB2  GLN  14           HB2      GLN  14  -4.206 -26.591  -6.141
  110    HB3  GLN  14           HB3      GLN  14  -5.391 -26.891  -4.884
  111    HG2  GLN  14           HG2      GLN  14  -5.416 -24.442  -6.698
  112    HG3  GLN  14           HG3      GLN  14  -6.326 -25.911  -6.987
  113   HE21  GLN  14          HE22      GLN  14  -7.793 -23.657  -6.922
  114   HE22  GLN  14          HE21      GLN  14  -8.704 -23.540  -5.439
  115    H    GLN  15           H        GLN  15  -1.455 -25.908  -4.483
  116    HA   GLN  15           HA       GLN  15  -1.730 -28.033  -2.436
  117    HB2  GLN  15           HB2      GLN  15   0.437 -27.426  -4.485
  118    HB3  GLN  15           HB3      GLN  15   0.574 -28.674  -3.242
  119    HG2  GLN  15           HG2      GLN  15  -1.299 -29.911  -4.133
  120    HG3  GLN  15           HG3      GLN  15  -1.734 -28.608  -5.232
  121   HE21  GLN  15          HE22      GLN  15  -0.866 -28.586  -7.270
  122   HE22  GLN  15          HE21      GLN  15   0.406 -29.669  -7.822
  123    H    GLU  16           H        GLU  16   0.240 -25.096  -3.158
  124    HA   GLU  16           HA       GLU  16   0.142 -24.456  -0.360
  125    HB2  GLU  16           HB2      GLU  16   2.032 -26.084  -0.370
  126    HB3  GLU  16           HB3      GLU  16   2.916 -25.033  -1.483
  127    HG2  GLU  16           HG2      GLU  16   3.101 -23.311   0.189
  128    HG3  GLU  16           HG3      GLU  16   1.862 -24.059   1.198
  129    H    HIS  17           H        HIS  17   0.314 -22.247  -0.066
  130    HA   HIS  17           HA       HIS  17   1.811 -20.548  -1.917
  131    HB2  HIS  17           HB2      HIS  17  -0.086 -19.011  -2.252
  132    HB3  HIS  17           HB3      HIS  17  -0.366 -20.578  -2.991
  133    HD1  HIS  17           HD1      HIS  17  -2.314 -22.130  -1.839
  134    HD2  HIS  17           HD2      HIS  17  -1.852 -18.182  -0.455
  135    HE1  HIS  17           HE1      HIS  17  -4.392 -21.591  -0.463
  136    H    VAL  18           H        VAL  18   1.913 -18.266  -0.959
  137    HA   VAL  18           HA       VAL  18   2.567 -18.430   1.852
  138    HB   VAL  18           HB       VAL  18   2.409 -16.068  -0.072
  139   HG11  VAL  18          HG11      VAL  18   3.669 -16.274   2.695
  140   HG12  VAL  18          HG12      VAL  18   3.969 -14.950   1.543
  141   HG13  VAL  18          HG13      VAL  18   2.354 -15.187   2.193
  142   HG21  VAL  18          HG21      VAL  18   4.086 -17.732  -0.787
  143   HG22  VAL  18          HG22      VAL  18   4.870 -16.288  -0.172
  144   HG23  VAL  18          HG23      VAL  18   4.794 -17.744   0.845
  145    H    GLN  19           H        GLN  19   1.457 -17.552   3.631
  146    HA   GLN  19           HA       GLN  19  -1.373 -17.693   3.567
  147    HB2  GLN  19           HB2      GLN  19   0.635 -16.614   5.593
  148    HB3  GLN  19           HB3      GLN  19  -1.110 -16.546   5.891
  149    HG2  GLN  19           HG2      GLN  19  -1.325 -18.939   5.591
  150    HG3  GLN  19           HG3      GLN  19   0.398 -19.095   5.227
  151   HE21  GLN  19          HE22      GLN  19   0.392 -20.739   6.972
  152   HE22  GLN  19          HE21      GLN  19   0.445 -20.203   8.638
  153    H    GLY  20           H        GLY  20   0.716 -14.903   3.047
  154    HA2  GLY  20           HA2      GLY  20  -1.576 -13.010   3.267
  155    HA3  GLY  20           HA3      GLY  20   0.136 -12.616   3.452
  156    H    ALA  21           H        ALA  21  -1.452 -14.574   0.873
  157    HA   ALA  21           HA       ALA  21  -0.743 -12.537  -1.163
  158    HB1  ALA  21           HB1      ALA  21   1.197 -14.076  -0.941
  159    HB2  ALA  21           HB2      ALA  21   0.110 -15.464  -1.200
  160    HB3  ALA  21           HB3      ALA  21   0.377 -14.285  -2.502
  161    H    ILE  22           H        ILE  22  -1.507 -13.297  -3.334
  162    HA   ILE  22           HA       ILE  22  -4.026 -14.892  -3.268
  163    HB   ILE  22           HB       ILE  22  -3.692 -13.012  -5.543
  164   HG12  ILE  22          HG12      ILE  22  -4.143 -11.756  -2.820
  165   HG13  ILE  22          HG13      ILE  22  -2.834 -11.444  -3.975
  166   HG21  ILE  22          HG21      ILE  22  -6.058 -13.429  -3.682
  167   HG22  ILE  22          HG22      ILE  22  -6.071 -12.768  -5.337
  168   HG23  ILE  22          HG23      ILE  22  -5.691 -14.460  -5.082
  169   HD11  ILE  22          HD11      ILE  22  -4.532 -10.555  -5.598
  170   HD12  ILE  22          HD12      ILE  22  -5.755 -10.690  -4.310
  171   HD13  ILE  22          HD13      ILE  22  -4.363  -9.618  -4.101
  172    H    ASN  23           H        ASN  23  -4.365 -15.910  -5.530
  173    HA   ASN  23           HA       ASN  23  -1.857 -16.132  -7.089
  174    HB2  ASN  23           HB2      ASN  23  -2.083 -18.343  -6.150
  175    HB3  ASN  23           HB3      ASN  23  -3.806 -18.397  -6.573
  176   HD21  ASN  23          HD21      ASN  23  -0.598 -19.164  -7.747
  177   HD22  ASN  23          HD22      ASN  23  -1.039 -19.391  -9.432
  178    H    ILE  24           H        ILE  24  -2.102 -15.415  -9.017
  179    HA   ILE  24           HA       ILE  24  -4.670 -15.609 -10.387
  180    HB   ILE  24           HB       ILE  24  -3.235 -12.931 -10.432
  181   HG12  ILE  24          HG12      ILE  24  -5.714 -13.527  -8.778
  182   HG13  ILE  24          HG13      ILE  24  -4.105 -13.171  -8.140
  183   HG21  ILE  24          HG21      ILE  24  -4.496 -13.583 -12.389
  184   HG22  ILE  24          HG22      ILE  24  -5.946 -13.853 -11.394
  185   HG23  ILE  24          HG23      ILE  24  -5.258 -12.217 -11.577
  186   HD11  ILE  24          HD11      ILE  24  -4.179 -10.918  -9.192
  187   HD12  ILE  24          HD12      ILE  24  -5.877 -11.229  -9.636
  188   HD13  ILE  24          HD13      ILE  24  -5.395 -11.196  -7.935
  189    HA   PRO  25           HA       PRO  25  -0.976 -17.143 -12.466
  190    HB2  PRO  25           HB2      PRO  25  -2.084 -18.343 -14.677
  191    HB3  PRO  25           HB3      PRO  25  -2.148 -19.037 -13.026
  192    HG2  PRO  25           HG2      PRO  25  -4.280 -17.415 -14.440
  193    HG3  PRO  25           HG3      PRO  25  -4.472 -18.957 -13.547
  194    HD2  PRO  25           HD2      PRO  25  -5.005 -16.543 -12.395
  195    HD3  PRO  25           HD3      PRO  25  -4.270 -17.876 -11.455
  196    H    LEU  26           H        LEU  26   0.311 -16.532 -14.318
  197    HA   LEU  26           HA       LEU  26   0.256 -13.853 -14.776
  198    HB2  LEU  26           HB2      LEU  26   2.198 -15.308 -15.094
  199    HB3  LEU  26           HB3      LEU  26   1.485 -15.999 -16.549
  200    HG   LEU  26           HG       LEU  26   1.732 -13.910 -17.762
  201   HD11  LEU  26          HD11      LEU  26   2.999 -11.980 -16.637
  202   HD12  LEU  26          HD12      LEU  26   1.319 -12.171 -16.167
  203   HD13  LEU  26          HD13      LEU  26   2.600 -12.752 -15.085
  204   HD21  LEU  26          HD21      LEU  26   4.271 -14.489 -16.173
  205   HD22  LEU  26          HD22      LEU  26   3.692 -15.449 -17.553
  206   HD23  LEU  26          HD23      LEU  26   4.171 -13.761 -17.791
  207    H    LYS  27           H        LYS  27  -1.209 -16.272 -16.956
  208    HA   LYS  27           HA       LYS  27  -1.876 -14.538 -19.068
  209    HB2  LYS  27           HB2      LYS  27  -3.440 -16.240 -19.783
  210    HB3  LYS  27           HB3      LYS  27  -1.942 -16.984 -19.229
  211    HG2  LYS  27           HG2      LYS  27  -3.078 -17.515 -17.030
  212    HG3  LYS  27           HG3      LYS  27  -4.582 -16.852 -17.697
  213    HD2  LYS  27           HD2      LYS  27  -4.489 -18.552 -19.537
  214    HD3  LYS  27           HD3      LYS  27  -3.000 -19.192 -18.839
  215    HE2  LYS  27           HE2      LYS  27  -4.736 -20.640 -18.127
  216    HE3  LYS  27           HE3      LYS  27  -4.248 -19.704 -16.714
  217    HZ1  LYS  27           HZ1      LYS  27  -6.656 -19.879 -16.920
  218    HZ2  LYS  27           HZ2      LYS  27  -6.229 -18.313 -17.058
  219    HZ3  LYS  27           HZ3      LYS  27  -6.647 -19.177 -18.386
  220    H    GLU  28           H        GLU  28  -3.453 -14.897 -15.922
  221    HA   GLU  28           HA       GLU  28  -5.789 -13.301 -16.818
  222    HB2  GLU  28           HB2      GLU  28  -5.237 -15.189 -14.586
  223    HB3  GLU  28           HB3      GLU  28  -6.018 -13.696 -14.073
  224    HG2  GLU  28           HG2      GLU  28  -7.806 -13.965 -15.690
  225    HG3  GLU  28           HG3      GLU  28  -7.054 -15.440 -16.326
  226    H    VAL  29           H        VAL  29  -3.002 -13.168 -14.572
  227    HA   VAL  29           HA       VAL  29  -3.814 -10.931 -13.173
  228    HB   VAL  29           HB       VAL  29  -1.819 -12.599 -12.917
  229   HG11  VAL  29          HG11      VAL  29  -0.213 -10.229 -13.924
  230   HG12  VAL  29          HG12      VAL  29   0.391 -11.768 -13.285
  231   HG13  VAL  29          HG13      VAL  29  -0.473 -11.730 -14.827
  232   HG21  VAL  29          HG21      VAL  29  -0.869 -11.253 -11.155
  233   HG22  VAL  29          HG22      VAL  29  -1.485  -9.762 -11.882
  234   HG23  VAL  29          HG23      VAL  29  -2.615 -10.949 -11.195
  235    H    LYS  30           H        LYS  30  -2.159 -11.003 -16.252
  236    HA   LYS  30           HA       LYS  30  -1.497  -8.278 -16.485
  237    HB2  LYS  30           HB2      LYS  30  -0.758 -10.280 -17.903
  238    HB3  LYS  30           HB3      LYS  30  -2.326 -10.229 -18.709
  239    HG2  LYS  30           HG2      LYS  30  -1.814  -7.963 -19.573
  240    HG3  LYS  30           HG3      LYS  30  -0.283  -7.969 -18.674
  241    HD2  LYS  30           HD2      LYS  30   0.487  -9.912 -20.007
  242    HD3  LYS  30           HD3      LYS  30  -1.035  -9.931 -20.899
  243    HE2  LYS  30           HE2      LYS  30   0.937  -7.595 -20.850
  244    HE3  LYS  30           HE3      LYS  30   0.891  -8.837 -22.102
  245    HZ1  LYS  30           HZ1      LYS  30  -1.361  -8.126 -22.652
  246    HZ2  LYS  30           HZ2      LYS  30  -1.319  -6.953 -21.510
  247    HZ3  LYS  30           HZ3      LYS  30  -0.318  -6.886 -22.793
  248    H    GLU  31           H        GLU  31  -4.690  -9.616 -16.539
  249    HA   GLU  31           HA       GLU  31  -5.702  -6.911 -17.303
  250    HB2  GLU  31           HB2      GLU  31  -6.397  -8.639 -18.899
  251    HB3  GLU  31           HB3      GLU  31  -7.015  -9.647 -17.582
  252    HG2  GLU  31           HG2      GLU  31  -8.683  -7.946 -17.013
  253    HG3  GLU  31           HG3      GLU  31  -8.015  -6.841 -18.219
  254    H    ARG  32           H        ARG  32  -6.102  -9.769 -15.201
  255    HA   ARG  32           HA       ARG  32  -8.164  -8.627 -13.654
  256    HB2  ARG  32           HB2      ARG  32  -7.786 -11.035 -14.020
  257    HB3  ARG  32           HB3      ARG  32  -6.349 -10.973 -12.988
  258    HG2  ARG  32           HG2      ARG  32  -7.663 -10.469 -11.042
  259    HG3  ARG  32           HG3      ARG  32  -9.103 -10.098 -12.014
  260    HD2  ARG  32           HD2      ARG  32  -9.346 -12.431 -12.662
  261    HD3  ARG  32           HD3      ARG  32  -7.801 -12.847 -11.910
  262    HE   ARG  32           HE       ARG  32  -9.586 -11.662  -9.999
  263   HH11  ARG  32          HH11      ARG  32  -9.016 -14.724 -11.752
  264   HH12  ARG  32          HH12      ARG  32  -9.692 -15.703 -10.492
  265   HH21  ARG  32          HH21      ARG  32 -10.493 -12.987  -8.353
  266   HH22  ARG  32          HH22      ARG  32 -10.559 -14.696  -8.538
  267    H    ILE  33           H        ILE  33  -4.672  -8.199 -13.307
  268    HA   ILE  33           HA       ILE  33  -4.784  -7.472 -10.535
  269    HB   ILE  33           HB       ILE  33  -2.667  -7.879 -11.950
  270   HG12  ILE  33          HG12      ILE  33  -1.294  -6.180 -10.682
  271   HG13  ILE  33          HG13      ILE  33  -2.788  -5.479 -10.076
  272   HG21  ILE  33          HG21      ILE  33  -1.618  -5.976 -12.990
  273   HG22  ILE  33          HG22      ILE  33  -3.210  -6.180 -13.742
  274   HG23  ILE  33          HG23      ILE  33  -2.940  -4.923 -12.494
  275   HD11  ILE  33          HD11      ILE  33  -3.318  -7.650  -8.950
  276   HD12  ILE  33          HD12      ILE  33  -1.894  -8.395  -9.712
  277   HD13  ILE  33          HD13      ILE  33  -1.686  -7.120  -8.504
  278    H    ALA  34           H        ALA  34  -5.600  -5.727 -13.552
  279    HA   ALA  34           HA       ALA  34  -5.880  -3.164 -12.353
  280    HB1  ALA  34           HB1      ALA  34  -7.207  -2.597 -14.319
  281    HB2  ALA  34           HB2      ALA  34  -5.855  -3.631 -14.831
  282    HB3  ALA  34           HB3      ALA  34  -7.496  -4.310 -14.672
  283    H    THR  35           H        THR  35  -7.983  -5.998 -12.240
  284    HA   THR  35           HA       THR  35 -10.336  -4.618 -11.324
  285    HB   THR  35           HB       THR  35  -9.666  -7.542 -10.874
  286    HG1  THR  35           HG1      THR  35 -10.423  -6.329 -13.327
  287   HG21  THR  35          HG21      THR  35 -12.256  -6.127 -11.639
  288   HG22  THR  35          HG22      THR  35 -12.047  -7.887 -11.480
  289   HG23  THR  35          HG23      THR  35 -11.867  -6.847 -10.062
  290    H    ALA  36           H        ALA  36  -7.329  -5.353  -9.787
  291    HA   ALA  36           HA       ALA  36  -8.571  -5.355  -7.069
  292    HB1  ALA  36           HB1      ALA  36  -6.761  -6.894  -6.438
  293    HB2  ALA  36           HB2      ALA  36  -7.748  -7.563  -7.753
  294    HB3  ALA  36           HB3      ALA  36  -6.148  -6.874  -8.105
  295    H    VAL  37           H        VAL  37  -6.026  -3.987  -9.099
  296    HA   VAL  37           HA       VAL  37  -5.095  -2.311  -6.844
  297    HB   VAL  37           HB       VAL  37  -3.066  -3.507  -8.726
  298   HG11  VAL  37          HG11      VAL  37  -3.026  -2.855  -5.747
  299   HG12  VAL  37          HG12      VAL  37  -1.638  -3.333  -6.751
  300   HG13  VAL  37          HG13      VAL  37  -2.437  -1.789  -7.042
  301   HG21  VAL  37          HG21      VAL  37  -4.137  -5.544  -8.154
  302   HG22  VAL  37          HG22      VAL  37  -2.623  -5.411  -7.271
  303   HG23  VAL  37          HG23      VAL  37  -4.149  -5.124  -6.409
  304    HA   PRO  38           HA       PRO  38  -5.344  -0.351 -11.173
  305    HB2  PRO  38           HB2      PRO  38  -7.506   1.362 -11.042
  306    HB3  PRO  38           HB3      PRO  38  -7.645  -0.364 -11.478
  307    HG2  PRO  38           HG2      PRO  38  -8.050   0.909  -8.750
  308    HG3  PRO  38           HG3      PRO  38  -9.134  -0.238  -9.603
  309    HD2  PRO  38           HD2      PRO  38  -7.358  -1.081  -7.714
  310    HD3  PRO  38           HD3      PRO  38  -7.708  -2.053  -9.174
  311    H    ASP  39           H        ASP  39  -5.094   0.774  -7.955
  312    HA   ASP  39           HA       ASP  39  -4.432   3.524  -8.235
  313    HB2  ASP  39           HB2      ASP  39  -4.799   2.514  -6.074
  314    HB3  ASP  39           HB3      ASP  39  -3.528   1.320  -6.350
  315    H    LYS  40           H        LYS  40  -2.672   0.614  -9.111
  316    HA   LYS  40           HA       LYS  40  -0.734   0.162 -10.085
  317    HB2  LYS  40           HB2      LYS  40  -0.899   3.033 -11.076
  318    HB3  LYS  40           HB3      LYS  40   0.292   1.873 -11.609
  319    HG2  LYS  40           HG2      LYS  40  -1.695   0.324 -12.203
  320    HG3  LYS  40           HG3      LYS  40  -2.699   1.771 -12.038
  321    HD2  LYS  40           HD2      LYS  40  -1.247   2.919 -13.734
  322    HD3  LYS  40           HD3      LYS  40  -0.309   1.416 -13.900
  323    HE2  LYS  40           HE2      LYS  40  -2.419   0.224 -14.555
  324    HE3  LYS  40           HE3      LYS  40  -3.276   1.769 -14.506
  325    HZ1  LYS  40           HZ1      LYS  40  -1.010   1.106 -16.315
  326    HZ2  LYS  40           HZ2      LYS  40  -2.581   1.234 -16.748
  327    HZ3  LYS  40           HZ3      LYS  40  -1.773   2.561 -16.259
  328    H    ASN  41           H        ASN  41  -0.511   2.437  -7.499
  329    HA   ASN  41           HA       ASN  41   2.467   2.308  -7.591
  330    HB2  ASN  41           HB2      ASN  41   0.958   4.511  -7.390
  331    HB3  ASN  41           HB3      ASN  41   0.961   4.069  -5.682
  332   HD21  ASN  41          HD22      ASN  41   3.463   3.320  -5.024
  333   HD22  ASN  41          HD21      ASN  41   4.635   4.560  -5.449
  334    H    ASP  42           H        ASP  42   0.028   0.477  -6.323
  335    HA   ASP  42           HA       ASP  42   0.956   0.038  -3.613
  336    HB2  ASP  42           HB2      ASP  42  -1.250  -0.798  -4.673
  337    HB3  ASP  42           HB3      ASP  42  -0.225  -2.050  -5.433
  338    H    THR  43           H        THR  43   2.482  -1.564  -2.905
  339    HA   THR  43           HA       THR  43   4.480  -2.312  -4.850
  340    HB   THR  43           HB       THR  43   4.338  -3.094  -1.925
  341    HG1  THR  43           HG1      THR  43   4.430  -0.985  -1.862
  342   HG21  THR  43          HG21      THR  43   6.786  -3.341  -2.270
  343   HG22  THR  43          HG22      THR  43   5.815  -4.442  -3.271
  344   HG23  THR  43          HG23      THR  43   6.539  -3.008  -4.015
  345    H    VAL  44           H        VAL  44   3.206  -3.577  -6.295
  346    HA   VAL  44           HA       VAL  44   2.069  -6.099  -5.312
  347    HB   VAL  44           HB       VAL  44   2.552  -5.288  -8.211
  348   HG11  VAL  44          HG11      VAL  44   0.788  -7.408  -6.894
  349   HG12  VAL  44          HG12      VAL  44   0.858  -7.069  -8.639
  350   HG13  VAL  44          HG13      VAL  44   2.261  -7.745  -7.797
  351   HG21  VAL  44          HG21      VAL  44   1.007  -3.673  -7.183
  352   HG22  VAL  44          HG22      VAL  44   0.107  -4.777  -8.228
  353   HG23  VAL  44          HG23      VAL  44   0.068  -4.999  -6.462
  354    H    LYS  45           H        LYS  45   3.544  -7.444  -4.465
  355    HA   LYS  45           HA       LYS  45   6.102  -7.953  -5.836
  356    HB2  LYS  45           HB2      LYS  45   4.783  -8.936  -3.285
  357    HB3  LYS  45           HB3      LYS  45   6.161  -9.803  -3.986
  358    HG2  LYS  45           HG2      LYS  45   7.549  -7.835  -3.950
  359    HG3  LYS  45           HG3      LYS  45   6.187  -6.800  -3.483
  360    HD2  LYS  45           HD2      LYS  45   6.063  -7.848  -1.301
  361    HD3  LYS  45           HD3      LYS  45   7.365  -8.989  -1.739
  362    HE2  LYS  45           HE2      LYS  45   8.970  -7.193  -1.975
  363    HE3  LYS  45           HE3      LYS  45   7.707  -5.962  -1.842
  364    HZ1  LYS  45           HZ1      LYS  45   8.447  -7.780   0.371
  365    HZ2  LYS  45           HZ2      LYS  45   8.976  -6.244   0.210
  366    HZ3  LYS  45           HZ3      LYS  45   7.381  -6.512   0.433
  367    H    VAL  46           H        VAL  46   6.456  -9.736  -7.159
  368    HA   VAL  46           HA       VAL  46   4.112 -11.514  -7.656
  369    HB   VAL  46           HB       VAL  46   4.834 -11.628 -10.008
  370   HG11  VAL  46          HG11      VAL  46   2.986 -10.136  -9.266
  371   HG12  VAL  46          HG12      VAL  46   4.143  -8.796  -9.100
  372   HG13  VAL  46          HG13      VAL  46   3.830  -9.512 -10.693
  373   HG21  VAL  46          HG21      VAL  46   7.196 -10.847  -9.803
  374   HG22  VAL  46          HG22      VAL  46   6.278  -9.920 -10.993
  375   HG23  VAL  46          HG23      VAL  46   6.607  -9.215  -9.410
  376    H    TYR  47           H        TYR  47   4.498 -13.692  -7.722
  377    HA   TYR  47           HA       TYR  47   7.259 -14.649  -7.805
  378    HB2  TYR  47           HB2      TYR  47   7.228 -15.819  -5.777
  379    HB3  TYR  47           HB3      TYR  47   6.748 -14.191  -5.383
  380    HD1  TYR  47           HD2      TYR  47   4.445 -13.682  -4.621
  381    HD2  TYR  47           HD1      TYR  47   5.696 -17.714  -5.497
  382    HE1  TYR  47           HE2      TYR  47   2.615 -14.558  -3.210
  383    HE2  TYR  47           HE1      TYR  47   3.853 -18.595  -4.103
  384    HH   TYR  47           HH       TYR  47   1.517 -16.465  -2.439
  385    H    CYS  48           H        CYS  48   7.215 -17.169  -7.984
  386    HA   CYS  48           HA       CYS  48   4.644 -18.316  -8.680
  387    HB2  CYS  48           HB2      CYS  48   5.221 -19.033 -10.912
  388    HB3  CYS  48           HB3      CYS  48   5.387 -17.294 -10.811
  389    HG   CYS  48           HG       CYS  48   7.931 -17.200 -10.523
  390    H    ASN  49           H        ASN  49   6.463 -20.554 -10.020
  391    HA   ASN  49           HA       ASN  49   6.790 -22.076  -7.566
  392    HB2  ASN  49           HB2      ASN  49   6.268 -23.093  -9.807
  393    HB3  ASN  49           HB3      ASN  49   7.890 -22.663 -10.354
  394   HD21  ASN  49          HD22      ASN  49   5.992 -24.980  -8.584
  395   HD22  ASN  49          HD21      ASN  49   7.327 -25.972  -8.031
  396    H    ALA  50           H        ALA  50   8.989 -20.224  -9.708
  397    HA   ALA  50           HA       ALA  50  11.177 -20.562  -7.707
  398    HB1  ALA  50           HB1      ALA  50  11.419 -21.152 -10.692
  399    HB2  ALA  50           HB2      ALA  50  12.724 -21.222  -9.492
  400    HB3  ALA  50           HB3      ALA  50  11.374 -22.371  -9.404
  401    H    GLY  51           H        GLY  51  10.058 -18.777 -10.671
  402    HA2  GLY  51           HA2      GLY  51  10.559 -16.245  -9.886
  403    HA3  GLY  51           HA3      GLY  51  12.187 -16.785 -10.284
  404    H    ARG  52           H        ARG  52  11.176 -18.517 -12.567
  405    HA   ARG  52           HA       ARG  52  11.842 -16.752 -14.566
  406    HB2  ARG  52           HB2      ARG  52  11.940 -19.174 -14.809
  407    HB3  ARG  52           HB3      ARG  52  10.175 -19.299 -14.794
  408    HG2  ARG  52           HG2      ARG  52  10.033 -18.060 -16.918
  409    HG3  ARG  52           HG3      ARG  52  11.794 -17.804 -16.908
  410    HD2  ARG  52           HD2      ARG  52  12.143 -20.253 -17.028
  411    HD3  ARG  52           HD3      ARG  52  10.384 -20.506 -17.021
  412    HE   ARG  52           HE       ARG  52  11.052 -18.726 -19.133
  413   HH11  ARG  52          HH11      ARG  52  11.437 -22.155 -18.296
  414   HH12  ARG  52          HH12      ARG  52  11.485 -22.697 -19.932
  415   HH21  ARG  52          HH21      ARG  52  11.112 -19.446 -21.316
  416   HH22  ARG  52          HH22      ARG  52  11.296 -21.118 -21.685
  417    H    GLN  53           H        GLN  53   8.419 -17.863 -14.046
  418    HA   GLN  53           HA       GLN  53   7.580 -15.749 -15.852
  419    HB2  GLN  53           HB2      GLN  53   5.323 -16.547 -15.592
  420    HB3  GLN  53           HB3      GLN  53   6.484 -17.769 -16.080
  421    HG2  GLN  53           HG2      GLN  53   6.478 -18.621 -13.691
  422    HG3  GLN  53           HG3      GLN  53   5.134 -17.513 -13.370
  423   HE21  GLN  53          HE22      GLN  53   2.984 -18.131 -14.187
  424   HE22  GLN  53          HE21      GLN  53   2.756 -19.577 -15.134
  425    H    SER  54           H        SER  54   8.132 -15.822 -12.392
  426    HA   SER  54           HA       SER  54   6.569 -13.527 -11.726
  427    HB2  SER  54           HB2      SER  54   9.331 -13.986 -10.604
  428    HB3  SER  54           HB3      SER  54   7.866 -13.433  -9.788
  429    HG   SER  54           HG       SER  54   8.531 -15.606  -9.282
  430    H    GLY  55           H        GLY  55   9.813 -13.984 -13.228
  431    HA2  GLY  55           HA2      GLY  55  10.633 -11.256 -13.262
  432    HA3  GLY  55           HA3      GLY  55  11.191 -12.551 -14.344
  433    H    GLN  56           H        GLN  56   9.040 -13.301 -15.762
  434    HA   GLN  56           HA       GLN  56   8.566 -11.219 -17.636
  435    HB2  GLN  56           HB2      GLN  56   7.132 -13.831 -17.061
  436    HB3  GLN  56           HB3      GLN  56   6.645 -12.768 -18.379
  437    HG2  GLN  56           HG2      GLN  56   9.541 -13.682 -18.159
  438    HG3  GLN  56           HG3      GLN  56   8.310 -14.727 -18.853
  439   HE21  GLN  56          HE22      GLN  56   9.935 -11.481 -19.314
  440   HE22  GLN  56          HE21      GLN  56   9.497 -11.402 -21.001
  441    H    ALA  57           H        ALA  57   6.504 -12.321 -14.859
  442    HA   ALA  57           HA       ALA  57   4.416 -10.489 -15.330
  443    HB1  ALA  57           HB1      ALA  57   5.432 -11.499 -12.640
  444    HB2  ALA  57           HB2      ALA  57   3.834 -10.805 -12.981
  445    HB3  ALA  57           HB3      ALA  57   4.308 -12.351 -13.711
  446    H    LYS  58           H        LYS  58   7.509  -9.988 -13.474
  447    HA   LYS  58           HA       LYS  58   6.813  -7.392 -12.636
  448    HB2  LYS  58           HB2      LYS  58   8.663  -8.448 -11.593
  449    HB3  LYS  58           HB3      LYS  58   9.590  -8.495 -13.108
  450    HG2  LYS  58           HG2      LYS  58   9.871  -6.134 -13.158
  451    HG3  LYS  58           HG3      LYS  58   8.570  -5.848 -11.998
  452    HD2  LYS  58           HD2      LYS  58   9.886  -6.743 -10.183
  453    HD3  LYS  58           HD3      LYS  58  11.208  -7.179 -11.310
  454    HE2  LYS  58           HE2      LYS  58  11.299  -4.699 -11.934
  455    HE3  LYS  58           HE3      LYS  58  10.216  -4.388 -10.573
  456    HZ1  LYS  58           HZ1      LYS  58  12.925  -5.590 -10.391
  457    HZ2  LYS  58           HZ2      LYS  58  12.522  -4.078  -9.953
  458    HZ3  LYS  58           HZ3      LYS  58  11.951  -5.345  -9.095
  459    H    GLU  59           H        GLU  59   8.328  -8.537 -15.666
  460    HA   GLU  59           HA       GLU  59   8.989  -5.930 -16.689
  461    HB2  GLU  59           HB2      GLU  59   8.542  -8.630 -18.044
  462    HB3  GLU  59           HB3      GLU  59   9.105  -7.191 -18.893
  463    HG2  GLU  59           HG2      GLU  59  11.120  -7.085 -17.552
  464    HG3  GLU  59           HG3      GLU  59  10.582  -8.398 -16.517
  465    H    ILE  60           H        ILE  60   6.260  -8.169 -17.206
  466    HA   ILE  60           HA       ILE  60   4.802  -6.630 -19.063
  467    HB   ILE  60           HB       ILE  60   4.228  -8.889 -17.133
  468   HG12  ILE  60          HG12      ILE  60   4.050  -8.727 -20.180
  469   HG13  ILE  60          HG13      ILE  60   5.532  -9.140 -19.327
  470   HG21  ILE  60          HG21      ILE  60   2.129  -7.716 -17.121
  471   HG22  ILE  60          HG22      ILE  60   2.129  -7.611 -18.897
  472   HG23  ILE  60          HG23      ILE  60   1.974  -9.184 -18.061
  473   HD11  ILE  60          HD11      ILE  60   4.410 -11.115 -18.312
  474   HD12  ILE  60          HD12      ILE  60   2.960 -10.767 -19.287
  475   HD13  ILE  60          HD13      ILE  60   4.489 -11.170 -20.080
  476    H    LEU  61           H        LEU  61   4.447  -6.773 -15.448
  477    HA   LEU  61           HA       LEU  61   2.312  -4.853 -15.517
  478    HB2  LEU  61           HB2      LEU  61   4.113  -5.748 -13.252
  479    HB3  LEU  61           HB3      LEU  61   2.710  -4.687 -13.063
  480    HG   LEU  61           HG       LEU  61   2.689  -7.602 -13.929
  481   HD11  LEU  61          HD11      LEU  61   1.482  -6.182 -11.517
  482   HD12  LEU  61          HD12      LEU  61   1.423  -7.926 -11.858
  483   HD13  LEU  61          HD13      LEU  61   2.973  -7.149 -11.506
  484   HD21  LEU  61          HD21      LEU  61   0.968  -6.642 -15.249
  485   HD22  LEU  61          HD22      LEU  61   0.174  -7.374 -13.864
  486   HD23  LEU  61          HD23      LEU  61   0.415  -5.606 -13.913
  487    H    SER  62           H        SER  62   5.864  -4.506 -15.225
  488    HA   SER  62           HA       SER  62   5.807  -1.701 -14.609
  489    HB2  SER  62           HB2      SER  62   7.944  -3.298 -16.081
  490    HB3  SER  62           HB3      SER  62   8.138  -1.704 -15.329
  491    HG   SER  62           HG       SER  62   7.669  -4.219 -14.124
  492    H    GLU  63           H        GLU  63   5.808  -3.522 -17.745
  493    HA   GLU  63           HA       GLU  63   5.906  -1.225 -19.404
  494    HB2  GLU  63           HB2      GLU  63   6.340  -3.628 -20.063
  495    HB3  GLU  63           HB3      GLU  63   4.604  -3.921 -19.977
  496    HG2  GLU  63           HG2      GLU  63   5.180  -3.591 -22.267
  497    HG3  GLU  63           HG3      GLU  63   4.257  -2.187 -21.759
  498    H    MET  64           H        MET  64   3.190  -2.953 -17.857
  499    HA   MET  64           HA       MET  64   1.082  -1.305 -18.946
  500    HB2  MET  64           HB2      MET  64   1.269  -3.110 -16.507
  501    HB3  MET  64           HB3      MET  64  -0.212  -2.288 -16.990
  502    HG2  MET  64           HG2      MET  64  -0.405  -3.496 -18.997
  503    HG3  MET  64           HG3      MET  64   1.265  -4.051 -18.947
  504    HE1  MET  64           HE1      MET  64  -2.197  -4.308 -16.981
  505    HE2  MET  64           HE2      MET  64  -1.871  -5.709 -15.936
  506    HE3  MET  64           HE3      MET  64  -1.005  -4.192 -15.659
  507    H    GLY  65           H        GLY  65   3.598  -0.337 -16.938
  508    HA2  GLY  65           HA2      GLY  65   3.918   1.755 -16.110
  509    HA3  GLY  65           HA3      GLY  65   2.218   2.149 -16.405
  510    H    TYR  66           H        TYR  66   2.891  -0.736 -14.473
  511    HA   TYR  66           HA       TYR  66   1.844   0.555 -12.049
  512    HB2  TYR  66           HB2      TYR  66   2.849  -2.245 -12.640
  513    HB3  TYR  66           HB3      TYR  66   2.434  -1.679 -11.029
  514    HD1  TYR  66           HD2      TYR  66   0.855  -1.693 -14.485
  515    HD2  TYR  66           HD1      TYR  66   0.311  -2.238 -10.238
  516    HE1  TYR  66           HE2      TYR  66  -1.558  -2.025 -14.848
  517    HE2  TYR  66           HE1      TYR  66  -2.104  -2.644 -10.610
  518    HH   TYR  66           HH       TYR  66  -3.632  -2.358 -13.851
  519    H    THR  67           H        THR  67   3.106   1.687 -10.675
  520    HA   THR  67           HA       THR  67   5.856   2.102 -11.532
  521    HB   THR  67           HB       THR  67   5.597   4.049  -9.889
  522    HG1  THR  67           HG1      THR  67   3.572   4.426  -9.106
  523   HG21  THR  67          HG21      THR  67   3.447   3.846 -12.046
  524   HG22  THR  67          HG22      THR  67   4.149   5.331 -11.370
  525   HG23  THR  67          HG23      THR  67   5.151   4.251 -12.353
  526    H    HIS  68           H        HIS  68   4.463   0.132  -9.102
  527    HA   HIS  68           HA       HIS  68   7.004   0.201  -7.582
  528    HB2  HIS  68           HB2      HIS  68   4.553   1.329  -6.757
  529    HB3  HIS  68           HB3      HIS  68   4.600  -0.201  -5.910
  530    HD1  HIS  68           HD1      HIS  68   5.995  -0.115  -3.661
  531    HD2  HIS  68           HD2      HIS  68   6.812   2.952  -6.438
  532    HE1  HIS  68           HE1      HIS  68   7.616   1.472  -2.517
  533    H    VAL  69           H        VAL  69   6.091  -1.664  -9.570
  534    HA   VAL  69           HA       VAL  69   5.324  -4.162  -8.328
  535    HB   VAL  69           HB       VAL  69   6.889  -3.698 -10.910
  536   HG11  VAL  69          HG11      VAL  69   5.826  -5.868 -11.582
  537   HG12  VAL  69          HG12      VAL  69   6.988  -6.048 -10.258
  538   HG13  VAL  69          HG13      VAL  69   5.237  -6.071  -9.924
  539   HG21  VAL  69          HG21      VAL  69   4.747  -2.455 -10.972
  540   HG22  VAL  69          HG22      VAL  69   4.768  -3.798 -12.092
  541   HG23  VAL  69          HG23      VAL  69   3.870  -3.948 -10.557
  542    H    GLU  70           H        GLU  70   6.713  -5.858  -7.570
  543    HA   GLU  70           HA       GLU  70   9.580  -5.443  -7.913
  544    HB2  GLU  70           HB2      GLU  70   9.000  -4.476  -5.644
  545    HB3  GLU  70           HB3      GLU  70   8.430  -6.083  -5.167
  546    HG2  GLU  70           HG2      GLU  70  10.695  -5.601  -4.349
  547    HG3  GLU  70           HG3      GLU  70  10.643  -7.014  -5.395
  548    H    ASN  71           H        ASN  71  10.786  -7.404  -7.785
  549    HA   ASN  71           HA       ASN  71   9.113  -9.759  -8.506
  550    HB2  ASN  71           HB2      ASN  71  11.079  -9.052  -9.958
  551    HB3  ASN  71           HB3      ASN  71  12.150  -9.446  -8.605
  552   HD21  ASN  71          HD22      ASN  71   9.728 -10.753 -10.909
  553   HD22  ASN  71          HD21      ASN  71  10.318 -12.400 -10.769
  554    H    ALA  72           H        ALA  72   8.947 -11.508  -7.134
  555    HA   ALA  72           HA       ALA  72  10.582 -11.450  -4.667
  556    HB1  ALA  72           HB1      ALA  72   8.581 -12.145  -3.442
  557    HB2  ALA  72           HB2      ALA  72   8.341 -10.591  -4.251
  558    HB3  ALA  72           HB3      ALA  72   7.616 -12.069  -4.931
  559    H    GLY  73           H        GLY  73  10.776 -13.059  -7.318
  560    HA2  GLY  73           HA2      GLY  73  11.743 -15.086  -7.762
  561    HA3  GLY  73           HA3      GLY  73  11.895 -15.324  -6.018
  562    H    GLY  74           H        GLY  74  10.756 -17.075  -5.200
  563    HA2  GLY  74           HA2      GLY  74   8.201 -17.822  -6.390
  564    HA3  GLY  74           HA3      GLY  74   9.509 -18.987  -6.623
  565    H    LEU  75           H        LEU  75   7.223 -19.612  -5.342
  566    HA   LEU  75           HA       LEU  75   6.678 -19.083  -2.759
  567    HB2  LEU  75           HB2      LEU  75   5.325 -20.393  -4.314
  568    HB3  LEU  75           HB3      LEU  75   6.437 -21.736  -4.246
  569    HG   LEU  75           HG       LEU  75   4.270 -21.981  -3.021
  570   HD11  LEU  75          HD11      LEU  75   5.099 -23.269  -1.232
  571   HD12  LEU  75          HD12      LEU  75   6.263 -23.411  -2.548
  572   HD13  LEU  75          HD13      LEU  75   6.619 -22.376  -1.147
  573   HD21  LEU  75          HD21      LEU  75   5.463 -20.079  -0.971
  574   HD22  LEU  75          HD22      LEU  75   4.088 -19.746  -2.041
  575   HD23  LEU  75          HD23      LEU  75   3.966 -21.015  -0.809
  576    H    LYS  76           H        LYS  76   8.969 -21.656  -3.778
  577    HA   LYS  76           HA       LYS  76   9.365 -22.680  -1.175
  578    HB2  LYS  76           HB2      LYS  76  11.194 -23.937  -2.095
  579    HB3  LYS  76           HB3      LYS  76   9.857 -23.918  -3.240
  580    HG2  LYS  76           HG2      LYS  76  11.053 -22.165  -4.584
  581    HG3  LYS  76           HG3      LYS  76  12.363 -22.173  -3.401
  582    HD2  LYS  76           HD2      LYS  76  13.129 -23.528  -5.190
  583    HD3  LYS  76           HD3      LYS  76  12.731 -24.614  -3.869
  584    HE2  LYS  76           HE2      LYS  76  11.906 -25.668  -5.817
  585    HE3  LYS  76           HE3      LYS  76  10.476 -25.033  -5.002
  586    HZ1  LYS  76           HZ1      LYS  76  10.507 -23.162  -6.577
  587    HZ2  LYS  76           HZ2      LYS  76  11.861 -23.766  -7.301
  588    HZ3  LYS  76           HZ3      LYS  76  10.436 -24.558  -7.387
  589    H    ASP  77           H        ASP  77  10.642 -19.729  -2.484
  590    HA   ASP  77           HA       ASP  77  12.991 -19.781  -0.658
  591    HB2  ASP  77           HB2      ASP  77  13.361 -19.350  -3.053
  592    HB3  ASP  77           HB3      ASP  77  12.264 -17.970  -2.985
  593    H    ILE  78           H        ILE  78   9.814 -18.339  -0.937
  594    HA   ILE  78           HA       ILE  78  10.446 -15.819   0.280
  595    HB   ILE  78           HB       ILE  78   7.774 -17.263   0.028
  596   HG12  ILE  78          HG12      ILE  78   8.944 -14.996  -1.665
  597   HG13  ILE  78          HG13      ILE  78   9.015 -16.682  -2.135
  598   HG21  ILE  78          HG21      ILE  78   7.741 -15.501   1.797
  599   HG22  ILE  78          HG22      ILE  78   8.386 -14.323   0.645
  600   HG23  ILE  78          HG23      ILE  78   6.769 -15.013   0.422
  601   HD11  ILE  78          HD11      ILE  78   6.538 -16.822  -2.124
  602   HD12  ILE  78          HD12      ILE  78   6.466 -15.074  -1.795
  603   HD13  ILE  78          HD13      ILE  78   7.209 -15.662  -3.285
  604    H    ALA  79           H        ALA  79  10.868 -15.378   2.334
  605    HA   ALA  79           HA       ALA  79  10.719 -17.412   4.413
  606    HB1  ALA  79           HB1      ALA  79  11.968 -15.750   5.733
  607    HB2  ALA  79           HB2      ALA  79  12.714 -15.985   4.143
  608    HB3  ALA  79           HB3      ALA  79  11.734 -14.533   4.459
  609    H    MET  80           H        MET  80   8.183 -17.185   3.823
  610    HA   MET  80           HA       MET  80   6.963 -15.690   6.070
  611    HB2  MET  80           HB2      MET  80   5.972 -15.657   3.182
  612    HB3  MET  80           HB3      MET  80   4.997 -15.177   4.560
  613    HG2  MET  80           HG2      MET  80   6.614 -13.390   5.117
  614    HG3  MET  80           HG3      MET  80   7.599 -13.858   3.731
  615    HE1  MET  80           HE1      MET  80   3.448 -11.788   3.454
  616    HE2  MET  80           HE2      MET  80   3.575 -13.467   4.011
  617    HE3  MET  80           HE3      MET  80   4.298 -12.154   4.971
  618    HA   PRO  81           HA       PRO  81   5.072 -19.643   6.584
  619    HB2  PRO  81           HB2      PRO  81   2.730 -19.114   7.872
  620    HB3  PRO  81           HB3      PRO  81   4.327 -18.868   8.624
  621    HG2  PRO  81           HG2      PRO  81   2.603 -16.790   7.237
  622    HG3  PRO  81           HG3      PRO  81   3.366 -16.688   8.859
  623    HD2  PRO  81           HD2      PRO  81   4.539 -15.597   6.675
  624    HD3  PRO  81           HD3      PRO  81   5.523 -16.415   7.922
  625    H    LYS  82           H        LYS  82   3.276 -21.040   5.878
  626    HA   LYS  82           HA       LYS  82   1.990 -20.040   3.374
  627    HB2  LYS  82           HB2      LYS  82   3.701 -22.537   3.726
  628    HB3  LYS  82           HB3      LYS  82   2.843 -22.071   2.252
  629    HG2  LYS  82           HG2      LYS  82   4.216 -20.065   2.005
  630    HG3  LYS  82           HG3      LYS  82   5.020 -20.389   3.546
  631    HD2  LYS  82           HD2      LYS  82   5.958 -22.500   2.626
  632    HD3  LYS  82           HD3      LYS  82   5.215 -22.117   1.069
  633    HE2  LYS  82           HE2      LYS  82   7.527 -21.417   0.973
  634    HE3  LYS  82           HE3      LYS  82   6.517 -19.976   0.989
  635    HZ1  LYS  82           HZ1      LYS  82   8.366 -19.703   2.471
  636    HZ2  LYS  82           HZ2      LYS  82   7.020 -19.755   3.385
  637    HZ3  LYS  82           HZ3      LYS  82   8.011 -21.068   3.308
  638    H    VAL  83           H        VAL  83   0.499 -21.732   2.448
  639    HA   VAL  83           HA       VAL  83  -0.954 -23.421   4.365
  640    HB   VAL  83           HB       VAL  83  -3.067 -22.038   3.416
  641   HG11  VAL  83          HG11      VAL  83  -2.702 -22.425   5.749
  642   HG12  VAL  83          HG12      VAL  83  -1.461 -21.173   5.821
  643   HG13  VAL  83          HG13      VAL  83  -3.150 -20.735   5.484
  644   HG21  VAL  83          HG21      VAL  83  -1.838 -20.492   2.025
  645   HG22  VAL  83          HG22      VAL  83  -2.770 -19.663   3.279
  646   HG23  VAL  83          HG23      VAL  83  -1.007 -19.836   3.433
  647    H    LYS  84           H        LYS  84  -2.386 -24.853   3.277
  648    HA   LYS  84           HA       LYS  84  -1.885 -25.245   0.410
  649    HB2  LYS  84           HB2      LYS  84  -3.396 -27.206   0.667
  650    HB3  LYS  84           HB3      LYS  84  -1.954 -27.228   1.654
  651    HG2  LYS  84           HG2      LYS  84  -3.720 -28.141   2.929
  652    HG3  LYS  84           HG3      LYS  84  -3.282 -26.604   3.665
  653    HD2  LYS  84           HD2      LYS  84  -5.277 -25.539   2.707
  654    HD3  LYS  84           HD3      LYS  84  -5.654 -27.023   1.794
  655    HE2  LYS  84           HE2      LYS  84  -5.920 -28.250   3.935
  656    HE3  LYS  84           HE3      LYS  84  -5.545 -26.774   4.835
  657    HZ1  LYS  84           HZ1      LYS  84  -7.536 -25.767   3.884
  658    HZ2  LYS  84           HZ2      LYS  84  -7.877 -27.124   3.039
  659    HZ3  LYS  84           HZ3      LYS  84  -7.927 -27.141   4.668
  660    H    GLY  85           H        GLY  85  -3.966 -25.707  -0.940
  661    HA2  GLY  85           HA2      GLY  85  -5.243 -23.345  -1.589
  662    HA3  GLY  85           HA3      GLY  85  -5.851 -24.965  -1.943
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1  -0.307   0.665   1.381
    2    H2   ALA   1           H2       ALA   1  -0.125  -0.959   1.475
    3    H3   ALA   1           H3       ALA   1   1.190   0.011   1.523
    4    HA   ALA   1           HA       ALA   1  -0.597  -0.319  -0.796
    5    HB1  ALA   1           HB1      ALA   1   0.999   1.084  -2.020
    6    HB2  ALA   1           HB2      ALA   1   0.285   1.969  -0.667
    7    HB3  ALA   1           HB3      ALA   1   1.945   1.342  -0.543
    8    H    GLU   2           H        GLU   2  -0.222  -2.730  -0.268
    9    HA   GLU   2           HA       GLU   2   1.892  -3.692  -1.955
   10    HB2  GLU   2           HB2      GLU   2   3.101  -3.481   0.232
   11    HB3  GLU   2           HB3      GLU   2   1.844  -4.432   1.021
   12    HG2  GLU   2           HG2      GLU   2   2.464  -6.391  -0.409
   13    HG3  GLU   2           HG3      GLU   2   3.749  -5.428  -1.141
   14    H    HIS   3           H        HIS   3   1.318  -5.763  -2.698
   15    HA   HIS   3           HA       HIS   3  -0.735  -7.370  -1.362
   16    HB2  HIS   3           HB2      HIS   3  -0.911  -6.586  -4.312
   17    HB3  HIS   3           HB3      HIS   3  -1.830  -7.879  -3.551
   18    HD1  HIS   3           HD1      HIS   3  -3.499  -6.863  -1.377
   19    HD2  HIS   3           HD2      HIS   3  -2.238  -4.394  -4.544
   20    HE1  HIS   3           HE1      HIS   3  -5.120  -4.904  -1.440
   21    H    TRP   4           H        TRP   4  -0.627  -9.620  -2.322
   22    HA   TRP   4           HA       TRP   4   1.937 -10.187  -3.724
   23    HB2  TRP   4           HB2      TRP   4   0.670 -11.697  -1.414
   24    HB3  TRP   4           HB3      TRP   4   1.938 -12.348  -2.442
   25    HD1  TRP   4           HD1      TRP   4   1.468  -9.264  -0.136
   26    HE1  TRP   4           HE1      TRP   4   3.652  -8.727   1.045
   27    HE3  TRP   4           HE3      TRP   4   4.431 -12.896  -2.262
   28    HZ2  TRP   4           HZ2      TRP   4   6.280  -9.947   1.307
   29    HZ3  TRP   4           HZ3      TRP   4   6.750 -13.192  -1.483
   30    HH2  TRP   4           HH2      TRP   4   7.692 -11.738   0.296
   31    H    ILE   5           H        ILE   5   1.434 -10.881  -5.676
   32    HA   ILE   5           HA       ILE   5  -1.165 -12.281  -6.072
   33    HB   ILE   5           HB       ILE   5   0.290 -10.614  -8.142
   34   HG12  ILE   5          HG12      ILE   5  -0.300  -9.035  -6.368
   35   HG13  ILE   5          HG13      ILE   5  -1.236  -8.789  -7.828
   36   HG21  ILE   5          HG21      ILE   5  -1.243 -12.247  -9.066
   37   HG22  ILE   5          HG22      ILE   5  -2.529 -11.768  -7.939
   38   HG23  ILE   5          HG23      ILE   5  -1.992 -10.647  -9.202
   39   HD11  ILE   5          HD11      ILE   5  -2.247 -10.095  -5.288
   40   HD12  ILE   5          HD12      ILE   5  -2.595  -8.454  -5.852
   41   HD13  ILE   5          HD13      ILE   5  -3.209  -9.839  -6.769
   42    H    ASP   6           H        ASP   6  -0.642 -14.335  -6.101
   43    HA   ASP   6           HA       ASP   6   1.797 -15.519  -7.100
   44    HB2  ASP   6           HB2      ASP   6   0.293 -16.506  -5.377
   45    HB3  ASP   6           HB3      ASP   6  -0.995 -16.601  -6.558
   46    H    VAL   7           H        VAL   7   2.277 -15.420  -9.274
   47    HA   VAL   7           HA       VAL   7   0.069 -15.208 -11.241
   48    HB   VAL   7           HB       VAL   7   1.786 -14.521 -12.832
   49   HG11  VAL   7          HG11      VAL   7   1.901 -12.873 -10.279
   50   HG12  VAL   7          HG12      VAL   7   2.153 -12.308 -11.939
   51   HG13  VAL   7          HG13      VAL   7   0.553 -12.877 -11.431
   52   HG21  VAL   7          HG21      VAL   7   4.055 -14.115 -12.267
   53   HG22  VAL   7          HG22      VAL   7   3.787 -14.411 -10.545
   54   HG23  VAL   7          HG23      VAL   7   3.735 -15.752 -11.715
   55    H    ARG   8           H        ARG   8   1.551 -17.620  -9.790
   56    HA   ARG   8           HA       ARG   8   2.363 -19.496 -11.791
   57    HB2  ARG   8           HB2      ARG   8   2.707 -19.316  -9.251
   58    HB3  ARG   8           HB3      ARG   8   1.019 -19.884  -9.112
   59    HG2  ARG   8           HG2      ARG   8   1.682 -22.053  -9.975
   60    HG3  ARG   8           HG3      ARG   8   3.323 -21.440 -10.289
   61    HD2  ARG   8           HD2      ARG   8   2.782 -22.831  -8.090
   62    HD3  ARG   8           HD3      ARG   8   3.923 -21.496  -8.052
   63    HE   ARG   8           HE       ARG   8   1.771 -20.135  -7.364
   64   HH11  ARG   8          HH11      ARG   8   3.001 -23.221  -5.987
   65   HH12  ARG   8          HH12      ARG   8   2.058 -23.010  -4.535
   66   HH21  ARG   8          HH21      ARG   8   0.507 -20.056  -5.576
   67   HH22  ARG   8          HH22      ARG   8   0.779 -21.180  -4.227
   68    H    VAL   9           H        VAL   9   1.121 -21.527 -12.241
   69    HA   VAL   9           HA       VAL   9  -1.565 -21.118 -13.010
   70    HB   VAL   9           HB       VAL   9  -1.635 -23.617 -13.261
   71   HG11  VAL   9          HG11      VAL   9  -0.813 -22.144 -15.071
   72   HG12  VAL   9          HG12      VAL   9   0.847 -22.307 -14.458
   73   HG13  VAL   9          HG13      VAL   9  -0.018 -23.724 -15.081
   74   HG21  VAL   9          HG21      VAL   9   0.378 -24.960 -12.949
   75   HG22  VAL   9          HG22      VAL   9   1.257 -23.577 -12.273
   76   HG23  VAL   9          HG23      VAL   9  -0.125 -24.277 -11.400
   77    HA   PRO  10           HA       PRO  10  -3.562 -21.204  -9.192
   78    HB2  PRO  10           HB2      PRO  10  -6.127 -21.927  -9.769
   79    HB3  PRO  10           HB3      PRO  10  -5.377 -20.406 -10.371
   80    HG2  PRO  10           HG2      PRO  10  -5.623 -23.038 -11.852
   81    HG3  PRO  10           HG3      PRO  10  -6.105 -21.400 -12.410
   82    HD2  PRO  10           HD2      PRO  10  -3.700 -22.454 -13.080
   83    HD3  PRO  10           HD3      PRO  10  -3.857 -20.722 -12.661
   84    H    GLU  11           H        GLU  11  -3.477 -24.261 -10.964
   85    HA   GLU  11           HA       GLU  11  -4.540 -25.886  -8.888
   86    HB2  GLU  11           HB2      GLU  11  -2.686 -26.559 -11.211
   87    HB3  GLU  11           HB3      GLU  11  -3.428 -27.767 -10.164
   88    HG2  GLU  11           HG2      GLU  11  -4.894 -25.813 -11.978
   89    HG3  GLU  11           HG3      GLU  11  -4.690 -27.540 -12.238
   90    H    GLN  12           H        GLN  12  -1.524 -24.231  -8.919
   91    HA   GLN  12           HA       GLN  12  -0.390 -26.143  -6.917
   92    HB2  GLN  12           HB2      GLN  12   0.812 -23.792  -8.389
   93    HB3  GLN  12           HB3      GLN  12   1.607 -24.677  -7.069
   94    HG2  GLN  12           HG2      GLN  12   1.451 -26.782  -8.391
   95    HG3  GLN  12           HG3      GLN  12   0.750 -25.870  -9.729
   96   HE21  GLN  12          HE22      GLN  12   2.388 -25.850 -11.298
   97   HE22  GLN  12          HE21      GLN  12   4.028 -25.343 -10.991
   98    H    TYR  13           H        TYR  13  -1.869 -22.926  -7.182
   99    HA   TYR  13           HA       TYR  13  -1.214 -21.843  -4.676
  100    HB2  TYR  13           HB2      TYR  13  -2.478 -20.687  -6.452
  101    HB3  TYR  13           HB3      TYR  13  -3.853 -21.741  -6.170
  102    HD1  TYR  13           HD2      TYR  13  -1.791 -19.020  -4.656
  103    HD2  TYR  13           HD1      TYR  13  -5.449 -21.298  -4.434
  104    HE1  TYR  13           HE2      TYR  13  -2.736 -17.333  -3.119
  105    HE2  TYR  13           HE1      TYR  13  -6.392 -19.633  -2.866
  106    HH   TYR  13           HH       TYR  13  -4.613 -16.653  -1.918
  107    H    GLN  14           H        GLN  14  -3.786 -24.233  -5.432
  108    HA   GLN  14           HA       GLN  14  -4.772 -24.408  -2.777
  109    HB2  GLN  14           HB2      GLN  14  -5.977 -26.338  -3.524
  110    HB3  GLN  14           HB3      GLN  14  -5.924 -25.179  -4.854
  111    HG2  GLN  14           HG2      GLN  14  -3.855 -26.524  -5.670
  112    HG3  GLN  14           HG3      GLN  14  -4.366 -27.781  -4.549
  113   HE21  GLN  14          HE22      GLN  14  -4.141 -27.825  -7.475
  114   HE22  GLN  14          HE21      GLN  14  -5.726 -28.132  -8.164
  115    H    GLN  15           H        GLN  15  -1.737 -25.552  -3.995
  116    HA   GLN  15           HA       GLN  15  -1.539 -27.743  -2.006
  117    HB2  GLN  15           HB2      GLN  15   0.343 -26.969  -4.277
  118    HB3  GLN  15           HB3      GLN  15   0.477 -28.380  -3.227
  119    HG2  GLN  15           HG2      GLN  15  -1.687 -29.247  -4.118
  120    HG3  GLN  15           HG3      GLN  15  -1.812 -27.839  -5.172
  121   HE21  GLN  15          HE22      GLN  15  -1.270 -28.315  -7.272
  122   HE22  GLN  15          HE21      GLN  15  -0.016 -29.446  -7.743
  123    H    GLU  16           H        GLU  16  -0.108 -24.598  -2.919
  124    HA   GLU  16           HA       GLU  16   0.617 -24.151  -0.171
  125    HB2  GLU  16           HB2      GLU  16   2.570 -25.480  -1.134
  126    HB3  GLU  16           HB3      GLU  16   2.906 -24.112  -2.192
  127    HG2  GLU  16           HG2      GLU  16   3.401 -22.683  -0.313
  128    HG3  GLU  16           HG3      GLU  16   2.742 -23.835   0.839
  129    H    HIS  17           H        HIS  17   0.464 -21.906   0.196
  130    HA   HIS  17           HA       HIS  17   1.336 -20.059  -1.868
  131    HB2  HIS  17           HB2      HIS  17  -0.736 -18.691  -1.812
  132    HB3  HIS  17           HB3      HIS  17  -0.952 -20.260  -2.572
  133    HD1  HIS  17           HD1      HIS  17  -2.617 -21.965  -1.357
  134    HD2  HIS  17           HD2      HIS  17  -2.285 -18.103   0.256
  135    HE1  HIS  17           HE1      HIS  17  -4.619 -21.660   0.195
  136    H    VAL  18           H        VAL  18   1.482 -17.801  -0.970
  137    HA   VAL  18           HA       VAL  18   2.455 -17.858   1.773
  138    HB   VAL  18           HB       VAL  18   2.036 -15.553  -0.186
  139   HG11  VAL  18          HG11      VAL  18   3.538 -15.669   2.459
  140   HG12  VAL  18          HG12      VAL  18   3.683 -14.344   1.277
  141   HG13  VAL  18          HG13      VAL  18   2.138 -14.650   2.067
  142   HG21  VAL  18          HG21      VAL  18   4.532 -17.166   0.481
  143   HG22  VAL  18          HG22      VAL  18   3.678 -17.098  -1.080
  144   HG23  VAL  18          HG23      VAL  18   4.509 -15.670  -0.482
  145    H    GLN  19           H        GLN  19   1.417 -16.973   3.572
  146    HA   GLN  19           HA       GLN  19  -1.400 -17.040   3.741
  147    HB2  GLN  19           HB2      GLN  19   0.751 -15.765   5.475
  148    HB3  GLN  19           HB3      GLN  19  -0.971 -15.672   5.890
  149    HG2  GLN  19           HG2      GLN  19  -1.180 -18.082   5.938
  150    HG3  GLN  19           HG3      GLN  19   0.469 -18.290   5.341
  151   HE21  GLN  19          HE22      GLN  19   0.728 -19.728   7.190
  152   HE22  GLN  19          HE21      GLN  19   1.067 -19.048   8.773
  153    H    GLY  20           H        GLY  20  -2.892 -15.781   2.899
  154    HA2  GLY  20           HA2      GLY  20  -4.099 -13.855   2.582
  155    HA3  GLY  20           HA3      GLY  20  -2.699 -12.876   3.028
  156    H    ALA  21           H        ALA  21  -1.571 -15.004   0.633
  157    HA   ALA  21           HA       ALA  21  -1.459 -12.880  -1.324
  158    HB1  ALA  21           HB1      ALA  21  -0.796 -15.849  -1.535
  159    HB2  ALA  21           HB2      ALA  21  -0.426 -14.621  -2.760
  160    HB3  ALA  21           HB3      ALA  21   0.332 -14.517  -1.160
  161    H    ILE  22           H        ILE  22  -2.428 -12.751  -3.306
  162    HA   ILE  22           HA       ILE  22  -5.027 -14.119  -3.748
  163    HB   ILE  22           HB       ILE  22  -3.677 -12.092  -5.565
  164   HG12  ILE  22          HG12      ILE  22  -3.610 -10.897  -3.468
  165   HG13  ILE  22          HG13      ILE  22  -4.795 -10.200  -4.538
  166   HG21  ILE  22          HG21      ILE  22  -6.609 -12.742  -5.068
  167   HG22  ILE  22          HG22      ILE  22  -6.021 -11.441  -6.125
  168   HG23  ILE  22          HG23      ILE  22  -5.655 -13.116  -6.514
  169   HD11  ILE  22          HD11      ILE  22  -5.595 -10.280  -2.204
  170   HD12  ILE  22          HD12      ILE  22  -6.638 -11.246  -3.257
  171   HD13  ILE  22          HD13      ILE  22  -5.458 -12.047  -2.193
  172    H    ASN  23           H        ASN  23  -5.229 -15.210  -5.953
  173    HA   ASN  23           HA       ASN  23  -2.662 -15.673  -7.352
  174    HB2  ASN  23           HB2      ASN  23  -3.029 -17.834  -6.392
  175    HB3  ASN  23           HB3      ASN  23  -4.742 -17.831  -6.833
  176   HD21  ASN  23          HD22      ASN  23  -1.544 -18.764  -7.892
  177   HD22  ASN  23          HD21      ASN  23  -1.923 -18.988  -9.592
  178    H    ILE  24           H        ILE  24  -2.750 -15.090  -9.346
  179    HA   ILE  24           HA       ILE  24  -5.224 -15.295 -10.845
  180    HB   ILE  24           HB       ILE  24  -3.740 -12.636 -11.000
  181   HG12  ILE  24          HG12      ILE  24  -6.361 -13.117  -9.536
  182   HG13  ILE  24          HG13      ILE  24  -4.813 -12.681  -8.792
  183   HG21  ILE  24          HG21      ILE  24  -6.380 -13.600 -12.124
  184   HG22  ILE  24          HG22      ILE  24  -5.597 -12.028 -12.406
  185   HG23  ILE  24          HG23      ILE  24  -4.832 -13.489 -13.002
  186   HD11  ILE  24          HD11      ILE  24  -6.131 -10.709  -8.889
  187   HD12  ILE  24          HD12      ILE  24  -4.826 -10.535 -10.078
  188   HD13  ILE  24          HD13      ILE  24  -6.482 -10.931 -10.606
  189    HA   PRO  25           HA       PRO  25  -1.514 -17.002 -12.708
  190    HB2  PRO  25           HB2      PRO  25  -2.539 -18.199 -14.952
  191    HB3  PRO  25           HB3      PRO  25  -2.784 -18.837 -13.291
  192    HG2  PRO  25           HG2      PRO  25  -4.682 -17.110 -14.897
  193    HG3  PRO  25           HG3      PRO  25  -5.041 -18.627 -14.010
  194    HD2  PRO  25           HD2      PRO  25  -5.498 -16.173 -12.912
  195    HD3  PRO  25           HD3      PRO  25  -4.916 -17.541 -11.914
  196    H    LEU  26           H        LEU  26  -0.063 -16.428 -14.395
  197    HA   LEU  26           HA       LEU  26   0.033 -13.775 -14.888
  198    HB2  LEU  26           HB2      LEU  26   1.921 -15.353 -15.007
  199    HB3  LEU  26           HB3      LEU  26   1.338 -15.974 -16.546
  200    HG   LEU  26           HG       LEU  26   1.848 -13.884 -17.673
  201   HD11  LEU  26          HD11      LEU  26   1.350 -12.155 -16.094
  202   HD12  LEU  26          HD12      LEU  26   2.470 -12.823 -14.890
  203   HD13  LEU  26          HD13      LEU  26   3.079 -12.052 -16.375
  204   HD21  LEU  26          HD21      LEU  26   4.286 -13.868 -17.406
  205   HD22  LEU  26          HD22      LEU  26   4.155 -14.661 -15.824
  206   HD23  LEU  26          HD23      LEU  26   3.684 -15.526 -17.304
  207    H    LYS  27           H        LYS  27  -1.403 -16.111 -17.173
  208    HA   LYS  27           HA       LYS  27  -1.716 -14.356 -19.359
  209    HB2  LYS  27           HB2      LYS  27  -3.375 -15.915 -20.186
  210    HB3  LYS  27           HB3      LYS  27  -1.990 -16.780 -19.524
  211    HG2  LYS  27           HG2      LYS  27  -3.328 -17.144 -17.390
  212    HG3  LYS  27           HG3      LYS  27  -4.727 -16.442 -18.203
  213    HD2  LYS  27           HD2      LYS  27  -3.190 -18.930 -19.059
  214    HD3  LYS  27           HD3      LYS  27  -4.740 -18.926 -18.231
  215    HE2  LYS  27           HE2      LYS  27  -4.237 -17.777 -21.020
  216    HE3  LYS  27           HE3      LYS  27  -4.882 -19.381 -20.685
  217    HZ1  LYS  27           HZ1      LYS  27  -6.792 -18.342 -19.614
  218    HZ2  LYS  27           HZ2      LYS  27  -6.222 -16.843 -19.951
  219    HZ3  LYS  27           HZ3      LYS  27  -6.652 -17.847 -21.156
  220    H    GLU  28           H        GLU  28  -3.645 -14.619 -16.388
  221    HA   GLU  28           HA       GLU  28  -5.707 -12.812 -17.465
  222    HB2  GLU  28           HB2      GLU  28  -5.604 -15.015 -15.541
  223    HB3  GLU  28           HB3      GLU  28  -6.220 -13.562 -14.757
  224    HG2  GLU  28           HG2      GLU  28  -7.909 -13.255 -16.457
  225    HG3  GLU  28           HG3      GLU  28  -7.229 -14.602 -17.405
  226    H    VAL  29           H        VAL  29  -3.118 -12.897 -15.007
  227    HA   VAL  29           HA       VAL  29  -3.982 -10.693 -13.520
  228    HB   VAL  29           HB       VAL  29  -2.031 -12.369 -13.184
  229   HG11  VAL  29          HG11      VAL  29  -0.620 -11.584 -15.084
  230   HG12  VAL  29          HG12      VAL  29  -0.337 -10.069 -14.212
  231   HG13  VAL  29          HG13      VAL  29   0.212 -11.605 -13.525
  232   HG21  VAL  29          HG21      VAL  29  -1.677  -9.499 -12.226
  233   HG22  VAL  29          HG22      VAL  29  -2.817 -10.662 -11.524
  234   HG23  VAL  29          HG23      VAL  29  -1.073 -10.968 -11.438
  235    H    LYS  30           H        LYS  30  -2.241 -10.778 -16.521
  236    HA   LYS  30           HA       LYS  30  -1.488  -8.094 -16.807
  237    HB2  LYS  30           HB2      LYS  30  -0.974 -10.269 -18.202
  238    HB3  LYS  30           HB3      LYS  30  -2.451  -9.884 -19.091
  239    HG2  LYS  30           HG2      LYS  30  -1.409  -7.608 -19.614
  240    HG3  LYS  30           HG3      LYS  30   0.071  -8.187 -18.846
  241    HD2  LYS  30           HD2      LYS  30  -1.301  -9.397 -21.289
  242    HD3  LYS  30           HD3      LYS  30   0.129  -8.359 -21.313
  243    HE2  LYS  30           HE2      LYS  30   1.399 -10.059 -20.022
  244    HE3  LYS  30           HE3      LYS  30  -0.025 -11.109 -19.995
  245    HZ1  LYS  30           HZ1      LYS  30   0.093 -11.219 -22.419
  246    HZ2  LYS  30           HZ2      LYS  30   1.413 -10.257 -22.445
  247    HZ3  LYS  30           HZ3      LYS  30   1.491 -11.736 -21.765
  248    H    GLU  31           H        GLU  31  -4.726  -9.338 -16.877
  249    HA   GLU  31           HA       GLU  31  -5.668  -6.637 -17.776
  250    HB2  GLU  31           HB2      GLU  31  -7.040  -9.349 -17.914
  251    HB3  GLU  31           HB3      GLU  31  -7.843  -7.797 -18.206
  252    HG2  GLU  31           HG2      GLU  31  -6.228  -7.333 -20.060
  253    HG3  GLU  31           HG3      GLU  31  -5.510  -8.927 -19.817
  254    H    ARG  32           H        ARG  32  -6.089  -9.318 -15.452
  255    HA   ARG  32           HA       ARG  32  -8.181  -8.039 -14.039
  256    HB2  ARG  32           HB2      ARG  32  -6.420 -10.391 -13.423
  257    HB3  ARG  32           HB3      ARG  32  -7.598  -9.781 -12.245
  258    HG2  ARG  32           HG2      ARG  32  -9.405  -9.918 -13.967
  259    HG3  ARG  32           HG3      ARG  32  -8.243 -10.595 -15.113
  260    HD2  ARG  32           HD2      ARG  32  -9.581 -12.360 -14.130
  261    HD3  ARG  32           HD3      ARG  32  -7.883 -12.518 -13.641
  262    HE   ARG  32           HE       ARG  32  -9.424 -11.030 -11.708
  263   HH11  ARG  32          HH11      ARG  32  -8.928 -14.374 -12.839
  264   HH12  ARG  32          HH12      ARG  32  -9.209 -15.073 -11.277
  265   HH21  ARG  32          HH21      ARG  32  -9.799 -11.976  -9.643
  266   HH22  ARG  32          HH22      ARG  32  -9.735 -13.683  -9.439
  267    H    ILE  33           H        ILE  33  -4.662  -7.766 -13.571
  268    HA   ILE  33           HA       ILE  33  -4.784  -6.792 -10.908
  269    HB   ILE  33           HB       ILE  33  -2.687  -7.430 -12.174
  270   HG12  ILE  33          HG12      ILE  33  -1.279  -5.529 -11.088
  271   HG13  ILE  33          HG13      ILE  33  -2.802  -4.903 -10.469
  272   HG21  ILE  33          HG21      ILE  33  -3.088  -6.064 -14.220
  273   HG22  ILE  33          HG22      ILE  33  -2.803  -4.599 -13.271
  274   HG23  ILE  33          HG23      ILE  33  -1.513  -5.779 -13.476
  275   HD11  ILE  33          HD11      ILE  33  -1.668  -7.689  -9.990
  276   HD12  ILE  33          HD12      ILE  33  -1.705  -6.345  -8.833
  277   HD13  ILE  33          HD13      ILE  33  -3.224  -7.101  -9.360
  278    H    ALA  34           H        ALA  34  -5.432  -5.193 -14.025
  279    HA   ALA  34           HA       ALA  34  -5.466  -2.566 -13.054
  280    HB1  ALA  34           HB1      ALA  34  -6.767  -2.048 -15.088
  281    HB2  ALA  34           HB2      ALA  34  -5.512  -3.245 -15.477
  282    HB3  ALA  34           HB3      ALA  34  -7.205  -3.757 -15.268
  283    H    THR  35           H        THR  35  -7.768  -5.060 -12.357
  284    HA   THR  35           HA       THR  35  -9.714  -3.037 -11.334
  285    HB   THR  35           HB       THR  35 -10.148  -5.994 -11.904
  286    HG1  THR  35           HG1      THR  35  -9.719  -4.836 -13.811
  287   HG21  THR  35          HG21      THR  35 -12.556  -5.366 -11.898
  288   HG22  THR  35          HG22      THR  35 -11.800  -5.083 -10.326
  289   HG23  THR  35          HG23      THR  35 -12.118  -3.711 -11.410
  290    H    ALA  36           H        ALA  36  -7.581  -5.740 -10.491
  291    HA   ALA  36           HA       ALA  36  -8.627  -6.029  -7.790
  292    HB1  ALA  36           HB1      ALA  36  -6.005  -7.013  -9.004
  293    HB2  ALA  36           HB2      ALA  36  -6.719  -7.547  -7.470
  294    HB3  ALA  36           HB3      ALA  36  -7.543  -7.906  -8.998
  295    H    VAL  37           H        VAL  37  -6.001  -4.227  -9.324
  296    HA   VAL  37           HA       VAL  37  -5.412  -2.728  -6.856
  297    HB   VAL  37           HB       VAL  37  -3.190  -3.951  -8.537
  298   HG11  VAL  37          HG11      VAL  37  -1.832  -3.350  -6.583
  299   HG12  VAL  37          HG12      VAL  37  -2.629  -1.938  -7.269
  300   HG13  VAL  37          HG13      VAL  37  -3.265  -2.668  -5.779
  301   HG21  VAL  37          HG21      VAL  37  -2.750  -5.545  -6.713
  302   HG22  VAL  37          HG22      VAL  37  -4.325  -5.129  -5.991
  303   HG23  VAL  37          HG23      VAL  37  -4.226  -5.887  -7.601
  304    HA   PRO  38           HA       PRO  38  -5.839  -0.337 -10.830
  305    HB2  PRO  38           HB2      PRO  38  -7.189   1.849  -9.795
  306    HB3  PRO  38           HB3      PRO  38  -7.971   0.359 -10.403
  307    HG2  PRO  38           HG2      PRO  38  -7.312   1.087  -7.540
  308    HG3  PRO  38           HG3      PRO  38  -8.830   0.389  -8.189
  309    HD2  PRO  38           HD2      PRO  38  -6.931  -1.155  -6.995
  310    HD3  PRO  38           HD3      PRO  38  -7.855  -1.757  -8.404
  311    H    ASP  39           H        ASP  39  -4.786   0.644  -7.566
  312    HA   ASP  39           HA       ASP  39  -3.309   2.974  -8.309
  313    HB2  ASP  39           HB2      ASP  39  -3.984   2.602  -6.018
  314    HB3  ASP  39           HB3      ASP  39  -3.042   1.108  -5.932
  315    H    LYS  40           H        LYS  40  -1.785   2.883  -9.822
  316    HA   LYS  40           HA       LYS  40  -0.221   0.626 -10.490
  317    HB2  LYS  40           HB2      LYS  40   0.243   3.592 -11.015
  318    HB3  LYS  40           HB3      LYS  40   1.134   2.307 -11.816
  319    HG2  LYS  40           HG2      LYS  40  -1.894   2.592 -11.937
  320    HG3  LYS  40           HG3      LYS  40  -0.802   3.272 -13.138
  321    HD2  LYS  40           HD2      LYS  40  -0.110   1.152 -13.918
  322    HD3  LYS  40           HD3      LYS  40  -0.754   0.292 -12.525
  323    HE2  LYS  40           HE2      LYS  40  -2.527   1.841 -14.448
  324    HE3  LYS  40           HE3      LYS  40  -2.091   0.152 -14.716
  325    HZ1  LYS  40           HZ1      LYS  40  -3.175  -0.462 -12.689
  326    HZ2  LYS  40           HZ2      LYS  40  -3.485   1.096 -12.263
  327    HZ3  LYS  40           HZ3      LYS  40  -4.224   0.434 -13.565
  328    H    ASN  41           H        ASN  41   0.218   2.908  -7.886
  329    HA   ASN  41           HA       ASN  41   3.112   2.292  -7.667
  330    HB2  ASN  41           HB2      ASN  41   1.920   4.674  -7.504
  331    HB3  ASN  41           HB3      ASN  41   1.655   4.184  -5.834
  332   HD21  ASN  41          HD22      ASN  41   3.925   3.090  -4.911
  333   HD22  ASN  41          HD21      ASN  41   5.303   4.155  -5.150
  334    H    ASP  42           H        ASP  42   0.383   0.651  -6.784
  335    HA   ASP  42           HA       ASP  42   0.944   0.083  -3.984
  336    HB2  ASP  42           HB2      ASP  42  -1.188  -0.559  -5.268
  337    HB3  ASP  42           HB3      ASP  42  -0.185  -1.850  -5.992
  338    H    THR  43           H        THR  43   2.301  -1.587  -3.173
  339    HA   THR  43           HA       THR  43   4.376  -2.516  -4.952
  340    HB   THR  43           HB       THR  43   3.974  -3.299  -2.061
  341    HG1  THR  43           HG1      THR  43   4.191  -1.183  -1.989
  342   HG21  THR  43          HG21      THR  43   5.440  -4.719  -3.380
  343   HG22  THR  43          HG22      THR  43   6.320  -3.317  -4.000
  344   HG23  THR  43          HG23      THR  43   6.409  -3.740  -2.260
  345    H    VAL  44           H        VAL  44   3.069  -3.587  -6.472
  346    HA   VAL  44           HA       VAL  44   1.634  -6.032  -5.765
  347    HB   VAL  44           HB       VAL  44   2.627  -5.105  -8.504
  348   HG11  VAL  44          HG11      VAL  44   0.465  -7.095  -7.672
  349   HG12  VAL  44          HG12      VAL  44   0.847  -6.618  -9.339
  350   HG13  VAL  44          HG13      VAL  44   2.032  -7.518  -8.388
  351   HG21  VAL  44          HG21      VAL  44  -0.054  -4.664  -7.121
  352   HG22  VAL  44          HG22      VAL  44   1.100  -3.402  -7.603
  353   HG23  VAL  44          HG23      VAL  44   0.266  -4.342  -8.840
  354    H    LYS  45           H        LYS  45   3.027  -7.294  -4.553
  355    HA   LYS  45           HA       LYS  45   5.656  -8.083  -5.540
  356    HB2  LYS  45           HB2      LYS  45   3.865  -9.473  -3.514
  357    HB3  LYS  45           HB3      LYS  45   5.549  -9.813  -3.799
  358    HG2  LYS  45           HG2      LYS  45   5.059  -6.971  -3.105
  359    HG3  LYS  45           HG3      LYS  45   4.431  -8.088  -1.901
  360    HD2  LYS  45           HD2      LYS  45   6.716  -9.219  -1.878
  361    HD3  LYS  45           HD3      LYS  45   7.300  -7.882  -2.896
  362    HE2  LYS  45           HE2      LYS  45   6.510  -6.268  -1.141
  363    HE3  LYS  45           HE3      LYS  45   5.989  -7.635  -0.143
  364    HZ1  LYS  45           HZ1      LYS  45   8.767  -7.043  -0.975
  365    HZ2  LYS  45           HZ2      LYS  45   8.155  -6.835   0.530
  366    HZ3  LYS  45           HZ3      LYS  45   8.329  -8.348  -0.071
  367    H    VAL  46           H        VAL  46   6.034  -9.909  -6.832
  368    HA   VAL  46           HA       VAL  46   3.677 -11.593  -7.552
  369    HB   VAL  46           HB       VAL  46   4.577 -11.727  -9.865
  370   HG11  VAL  46          HG11      VAL  46   2.660 -10.258  -9.248
  371   HG12  VAL  46          HG12      VAL  46   3.794  -8.905  -9.031
  372   HG13  VAL  46          HG13      VAL  46   3.587  -9.647 -10.628
  373   HG21  VAL  46          HG21      VAL  46   6.265  -9.290  -9.115
  374   HG22  VAL  46          HG22      VAL  46   6.895 -10.911  -9.489
  375   HG23  VAL  46          HG23      VAL  46   6.057  -9.977 -10.731
  376    H    TYR  47           H        TYR  47   4.019 -13.777  -7.677
  377    HA   TYR  47           HA       TYR  47   6.747 -14.829  -7.556
  378    HB2  TYR  47           HB2      TYR  47   6.542 -16.023  -5.586
  379    HB3  TYR  47           HB3      TYR  47   6.077 -14.379  -5.173
  380    HD1  TYR  47           HD2      TYR  47   4.881 -17.861  -5.628
  381    HD2  TYR  47           HD1      TYR  47   3.871 -13.870  -4.332
  382    HE1  TYR  47           HE2      TYR  47   2.899 -18.748  -4.475
  383    HE2  TYR  47           HE1      TYR  47   1.932 -14.777  -3.075
  384    HH   TYR  47           HH       TYR  47   1.019 -18.238  -3.242
  385    H    CYS  48           H        CYS  48   6.674 -17.276  -7.620
  386    HA   CYS  48           HA       CYS  48   4.380 -18.669  -8.407
  387    HB2  CYS  48           HB2      CYS  48   4.648 -17.714 -10.568
  388    HB3  CYS  48           HB3      CYS  48   6.419 -17.892 -10.543
  389    HG   CYS  48           HG       CYS  48   5.353 -19.285 -12.468
  390    H    ASN  49           H        ASN  49   5.742 -20.927  -9.450
  391    HA   ASN  49           HA       ASN  49   6.803 -22.110  -7.066
  392    HB2  ASN  49           HB2      ASN  49   5.647 -23.276  -9.000
  393    HB3  ASN  49           HB3      ASN  49   7.097 -23.034  -9.967
  394   HD21  ASN  49          HD22      ASN  49   5.495 -25.240  -8.013
  395   HD22  ASN  49          HD21      ASN  49   6.860 -26.227  -7.530
  396    H    ALA  50           H        ALA  50   8.262 -20.600  -9.933
  397    HA   ALA  50           HA       ALA  50  10.888 -20.431  -8.600
  398    HB1  ALA  50           HB1      ALA  50  11.018 -22.378 -10.136
  399    HB2  ALA  50           HB2      ALA  50  10.438 -21.363 -11.477
  400    HB3  ALA  50           HB3      ALA  50  12.011 -21.033 -10.720
  401    H    GLY  51           H        GLY  51  12.214 -18.738  -9.731
  402    HA2  GLY  51           HA2      GLY  51  10.708 -16.346  -9.755
  403    HA3  GLY  51           HA3      GLY  51  12.432 -16.512 -10.090
  404    H    ARG  52           H        ARG  52  11.240 -18.456 -12.436
  405    HA   ARG  52           HA       ARG  52  11.800 -16.614 -14.511
  406    HB2  ARG  52           HB2      ARG  52  12.059 -19.000 -14.812
  407    HB3  ARG  52           HB3      ARG  52  10.339 -19.294 -14.535
  408    HG2  ARG  52           HG2      ARG  52   9.748 -18.154 -16.625
  409    HG3  ARG  52           HG3      ARG  52  11.430 -17.641 -16.853
  410    HD2  ARG  52           HD2      ARG  52  10.999 -19.513 -18.304
  411    HD3  ARG  52           HD3      ARG  52  12.119 -20.024 -17.032
  412    HE   ARG  52           HE       ARG  52   9.329 -20.552 -16.389
  413   HH11  ARG  52          HH11      ARG  52  12.096 -21.835 -18.203
  414   HH12  ARG  52          HH12      ARG  52  11.550 -23.471 -18.161
  415   HH21  ARG  52          HH21      ARG  52   8.605 -22.735 -16.316
  416   HH22  ARG  52          HH22      ARG  52   9.516 -23.987 -17.068
  417    H    GLN  53           H        GLN  53   8.561 -17.960 -13.609
  418    HA   GLN  53           HA       GLN  53   7.303 -16.266 -15.558
  419    HB2  GLN  53           HB2      GLN  53   6.560 -18.529 -14.811
  420    HB3  GLN  53           HB3      GLN  53   5.971 -17.796 -13.299
  421    HG2  GLN  53           HG2      GLN  53   4.292 -16.558 -14.455
  422    HG3  GLN  53           HG3      GLN  53   5.046 -16.887 -16.027
  423   HE21  GLN  53          HE22      GLN  53   2.425 -17.882 -14.059
  424   HE22  GLN  53          HE21      GLN  53   2.200 -19.433 -14.820
  425    H    SER  54           H        SER  54   7.885 -15.924 -12.023
  426    HA   SER  54           HA       SER  54   6.201 -13.579 -11.800
  427    HB2  SER  54           HB2      SER  54   7.343 -13.342  -9.617
  428    HB3  SER  54           HB3      SER  54   6.649 -14.949  -9.893
  429    HG   SER  54           HG       SER  54   8.710 -15.233  -9.079
  430    H    GLY  55           H        GLY  55   9.611 -14.181 -12.723
  431    HA2  GLY  55           HA2      GLY  55  10.499 -11.477 -12.643
  432    HA3  GLY  55           HA3      GLY  55  11.162 -12.799 -13.634
  433    H    GLN  56           H        GLN  56   9.135 -13.504 -15.297
  434    HA   GLN  56           HA       GLN  56   8.909 -11.388 -17.205
  435    HB2  GLN  56           HB2      GLN  56   7.345 -13.967 -16.790
  436    HB3  GLN  56           HB3      GLN  56   7.053 -12.880 -18.153
  437    HG2  GLN  56           HG2      GLN  56   9.743 -14.196 -17.544
  438    HG3  GLN  56           HG3      GLN  56   8.566 -14.790 -18.707
  439   HE21  GLN  56          HE22      GLN  56  10.992 -12.258 -18.090
  440   HE22  GLN  56          HE21      GLN  56  10.950 -11.569 -19.689
  441    H    ALA  57           H        ALA  57   6.553 -12.494 -14.670
  442    HA   ALA  57           HA       ALA  57   4.585 -10.601 -15.291
  443    HB1  ALA  57           HB1      ALA  57   3.747 -10.911 -13.053
  444    HB2  ALA  57           HB2      ALA  57   4.323 -12.469 -13.685
  445    HB3  ALA  57           HB3      ALA  57   5.295 -11.569 -12.498
  446    H    LYS  58           H        LYS  58   7.482 -10.149 -13.152
  447    HA   LYS  58           HA       LYS  58   6.845  -7.581 -12.259
  448    HB2  LYS  58           HB2      LYS  58   8.659  -8.520 -11.201
  449    HB3  LYS  58           HB3      LYS  58   9.509  -8.917 -12.704
  450    HG2  LYS  58           HG2      LYS  58  10.066  -6.655 -13.143
  451    HG3  LYS  58           HG3      LYS  58   8.933  -6.047 -11.940
  452    HD2  LYS  58           HD2      LYS  58  10.288  -6.668 -10.132
  453    HD3  LYS  58           HD3      LYS  58  11.369  -7.664 -11.142
  454    HE2  LYS  58           HE2      LYS  58  11.007  -4.651 -11.473
  455    HE3  LYS  58           HE3      LYS  58  12.248  -5.369 -10.444
  456    HZ1  LYS  58           HZ1      LYS  58  13.112  -4.837 -12.628
  457    HZ2  LYS  58           HZ2      LYS  58  13.187  -6.444 -12.391
  458    HZ3  LYS  58           HZ3      LYS  58  12.047  -5.814 -13.389
  459    H    GLU  59           H        GLU  59   8.465  -8.605 -15.300
  460    HA   GLU  59           HA       GLU  59   9.036  -5.885 -16.137
  461    HB2  GLU  59           HB2      GLU  59   9.164  -8.552 -17.600
  462    HB3  GLU  59           HB3      GLU  59   9.707  -7.015 -18.276
  463    HG2  GLU  59           HG2      GLU  59  10.842  -8.368 -15.790
  464    HG3  GLU  59           HG3      GLU  59  11.588  -8.323 -17.379
  465    H    ILE  60           H        ILE  60   6.558  -8.314 -16.933
  466    HA   ILE  60           HA       ILE  60   5.211  -6.881 -18.973
  467    HB   ILE  60           HB       ILE  60   4.490  -9.038 -16.973
  468   HG12  ILE  60          HG12      ILE  60   4.568  -9.082 -20.027
  469   HG13  ILE  60          HG13      ILE  60   5.977  -9.425 -19.033
  470   HG21  ILE  60          HG21      ILE  60   2.321  -9.391 -18.051
  471   HG22  ILE  60          HG22      ILE  60   2.395  -7.835 -17.256
  472   HG23  ILE  60          HG23      ILE  60   2.560  -7.912 -19.026
  473   HD11  ILE  60          HD11      ILE  60   5.001 -11.513 -19.707
  474   HD12  ILE  60          HD12      ILE  60   4.762 -11.325 -17.961
  475   HD13  ILE  60          HD13      ILE  60   3.409 -11.058 -19.085
  476    H    LEU  61           H        LEU  61   4.662  -6.898 -15.382
  477    HA   LEU  61           HA       LEU  61   2.498  -5.038 -15.613
  478    HB2  LEU  61           HB2      LEU  61   4.215  -5.859 -13.247
  479    HB3  LEU  61           HB3      LEU  61   2.823  -4.777 -13.129
  480    HG   LEU  61           HG       LEU  61   2.796  -7.716 -13.910
  481   HD11  LEU  61          HD11      LEU  61   2.965  -7.169 -11.492
  482   HD12  LEU  61          HD12      LEU  61   1.490  -6.184 -11.625
  483   HD13  LEU  61          HD13      LEU  61   1.423  -7.942 -11.893
  484   HD21  LEU  61          HD21      LEU  61   0.586  -5.673 -14.124
  485   HD22  LEU  61          HD22      LEU  61   1.153  -6.837 -15.343
  486   HD23  LEU  61          HD23      LEU  61   0.266  -7.421 -13.942
  487    H    SER  62           H        SER  62   6.024  -4.533 -15.093
  488    HA   SER  62           HA       SER  62   5.635  -1.707 -14.581
  489    HB2  SER  62           HB2      SER  62   8.141  -1.605 -15.112
  490    HB3  SER  62           HB3      SER  62   7.596  -2.457 -13.669
  491    HG   SER  62           HG       SER  62   7.914  -4.412 -14.679
  492    H    GLU  63           H        GLU  63   6.218  -3.637 -17.561
  493    HA   GLU  63           HA       GLU  63   6.459  -1.400 -19.293
  494    HB2  GLU  63           HB2      GLU  63   7.059  -3.771 -19.839
  495    HB3  GLU  63           HB3      GLU  63   5.344  -4.178 -19.871
  496    HG2  GLU  63           HG2      GLU  63   6.081  -3.907 -22.123
  497    HG3  GLU  63           HG3      GLU  63   5.036  -2.546 -21.759
  498    H    MET  64           H        MET  64   3.604  -3.233 -18.091
  499    HA   MET  64           HA       MET  64   1.602  -1.801 -19.543
  500    HB2  MET  64           HB2      MET  64   1.563  -3.213 -16.852
  501    HB3  MET  64           HB3      MET  64   0.136  -2.439 -17.539
  502    HG2  MET  64           HG2      MET  64   0.056  -3.908 -19.384
  503    HG3  MET  64           HG3      MET  64   1.696  -4.494 -19.116
  504    HE1  MET  64           HE1      MET  64  -1.756  -5.578 -16.191
  505    HE2  MET  64           HE2      MET  64  -0.862  -4.053 -16.068
  506    HE3  MET  64           HE3      MET  64  -1.924  -4.354 -17.467
  507    H    GLY  65           H        GLY  65   3.244  -1.081 -16.442
  508    HA2  GLY  65           HA2      GLY  65   3.781   1.393 -16.492
  509    HA3  GLY  65           HA3      GLY  65   2.036   1.661 -16.477
  510    H    TYR  66           H        TYR  66   2.903  -1.070 -14.491
  511    HA   TYR  66           HA       TYR  66   2.195   0.393 -12.083
  512    HB2  TYR  66           HB2      TYR  66   3.182  -2.422 -12.621
  513    HB3  TYR  66           HB3      TYR  66   3.024  -1.779 -10.991
  514    HD1  TYR  66           HD1      TYR  66   1.025  -2.332 -14.140
  515    HD2  TYR  66           HD2      TYR  66   0.965  -1.815  -9.852
  516    HE1  TYR  66           HE1      TYR  66  -1.440  -2.586 -14.141
  517    HE2  TYR  66           HE2      TYR  66  -1.488  -2.147  -9.845
  518    HH   TYR  66           HH       TYR  66  -3.391  -2.302 -11.134
  519    H    THR  67           H        THR  67   3.510   1.481 -10.729
  520    HA   THR  67           HA       THR  67   6.273   1.880 -11.641
  521    HB   THR  67           HB       THR  67   5.986   3.922 -10.119
  522    HG1  THR  67           HG1      THR  67   3.940   4.370  -9.429
  523   HG21  THR  67          HG21      THR  67   3.900   3.627 -12.325
  524   HG22  THR  67          HG22      THR  67   4.612   5.137 -11.719
  525   HG23  THR  67          HG23      THR  67   5.620   3.982 -12.607
  526    H    HIS  68           H        HIS  68   4.764   0.006  -9.244
  527    HA   HIS  68           HA       HIS  68   7.249  -0.010  -7.645
  528    HB2  HIS  68           HB2      HIS  68   5.019   1.382  -6.848
  529    HB3  HIS  68           HB3      HIS  68   4.675  -0.174  -6.121
  530    HD1  HIS  68           HD1      HIS  68   5.918  -0.522  -3.767
  531    HD2  HIS  68           HD2      HIS  68   7.427   2.550  -6.229
  532    HE1  HIS  68           HE1      HIS  68   7.679   0.684  -2.400
  533    H    VAL  69           H        VAL  69   6.440  -1.863  -9.651
  534    HA   VAL  69           HA       VAL  69   5.402  -4.293  -8.570
  535    HB   VAL  69           HB       VAL  69   6.532  -5.327 -10.464
  536   HG11  VAL  69          HG11      VAL  69   5.300  -2.689 -11.331
  537   HG12  VAL  69          HG12      VAL  69   5.443  -4.164 -12.291
  538   HG13  VAL  69          HG13      VAL  69   4.391  -4.149 -10.862
  539   HG21  VAL  69          HG21      VAL  69   8.674  -4.153 -10.544
  540   HG22  VAL  69          HG22      VAL  69   7.855  -4.035 -12.099
  541   HG23  VAL  69          HG23      VAL  69   7.862  -2.636 -11.009
  542    H    GLU  70           H        GLU  70   6.552  -6.112  -7.652
  543    HA   GLU  70           HA       GLU  70   9.447  -5.766  -7.254
  544    HB2  GLU  70           HB2      GLU  70   8.336  -4.776  -5.242
  545    HB3  GLU  70           HB3      GLU  70   7.579  -6.340  -4.903
  546    HG2  GLU  70           HG2      GLU  70   9.709  -7.388  -4.554
  547    HG3  GLU  70           HG3      GLU  70  10.585  -6.037  -5.280
  548    H    ASN  71           H        ASN  71  10.405  -7.621  -7.856
  549    HA   ASN  71           HA       ASN  71   8.754 -10.023  -8.280
  550    HB2  ASN  71           HB2      ASN  71  10.536  -9.465  -9.929
  551    HB3  ASN  71           HB3      ASN  71  11.763  -9.610  -8.655
  552   HD21  ASN  71          HD22      ASN  71   9.088 -11.355 -10.304
  553   HD22  ASN  71          HD21      ASN  71   9.697 -12.972  -9.945
  554    H    ALA  72           H        ALA  72   8.284 -11.257  -6.491
  555    HA   ALA  72           HA       ALA  72   9.905 -10.950  -4.096
  556    HB1  ALA  72           HB1      ALA  72   8.332 -12.555  -3.113
  557    HB2  ALA  72           HB2      ALA  72   7.474 -11.241  -3.937
  558    HB3  ALA  72           HB3      ALA  72   7.603 -12.838  -4.708
  559    H    GLY  73           H        GLY  73   9.420 -13.520  -6.580
  560    HA2  GLY  73           HA2      GLY  73  11.694 -14.565  -7.143
  561    HA3  GLY  73           HA3      GLY  73  11.728 -15.025  -5.437
  562    H    GLY  74           H        GLY  74  11.671 -17.207  -5.777
  563    HA2  GLY  74           HA2      GLY  74   9.197 -18.405  -6.917
  564    HA3  GLY  74           HA3      GLY  74  10.721 -19.262  -6.642
  565    H    LEU  75           H        LEU  75   7.975 -19.723  -5.526
  566    HA   LEU  75           HA       LEU  75   7.579 -18.733  -3.023
  567    HB2  LEU  75           HB2      LEU  75   5.986 -19.977  -4.483
  568    HB3  LEU  75           HB3      LEU  75   6.784 -21.493  -4.065
  569    HG   LEU  75           HG       LEU  75   6.053 -21.295  -1.745
  570   HD11  LEU  75          HD11      LEU  75   4.815 -18.649  -2.611
  571   HD12  LEU  75          HD12      LEU  75   4.429 -19.483  -1.094
  572   HD13  LEU  75          HD13      LEU  75   6.065 -18.870  -1.383
  573   HD21  LEU  75          HD21      LEU  75   3.847 -20.812  -3.789
  574   HD22  LEU  75          HD22      LEU  75   4.550 -22.376  -3.324
  575   HD23  LEU  75          HD23      LEU  75   3.587 -21.451  -2.160
  576    H    LYS  76           H        LYS  76   9.785 -21.404  -3.721
  577    HA   LYS  76           HA       LYS  76  10.008 -22.127  -0.870
  578    HB2  LYS  76           HB2      LYS  76  11.621 -23.019  -3.301
  579    HB3  LYS  76           HB3      LYS  76  11.774 -23.677  -1.675
  580    HG2  LYS  76           HG2      LYS  76   9.322 -23.880  -3.476
  581    HG3  LYS  76           HG3      LYS  76  10.446 -25.170  -3.044
  582    HD2  LYS  76           HD2      LYS  76   9.768 -24.875  -0.625
  583    HD3  LYS  76           HD3      LYS  76   8.520 -23.727  -1.168
  584    HE2  LYS  76           HE2      LYS  76   7.513 -25.484  -2.590
  585    HE3  LYS  76           HE3      LYS  76   8.742 -26.635  -2.038
  586    HZ1  LYS  76           HZ1      LYS  76   6.697 -25.314  -0.323
  587    HZ2  LYS  76           HZ2      LYS  76   6.707 -26.869  -0.771
  588    HZ3  LYS  76           HZ3      LYS  76   7.875 -26.328   0.230
  589    H    ASP  77           H        ASP  77  11.639 -19.919  -3.088
  590    HA   ASP  77           HA       ASP  77  13.950 -19.555  -1.302
  591    HB2  ASP  77           HB2      ASP  77  14.219 -19.227  -3.716
  592    HB3  ASP  77           HB3      ASP  77  12.963 -17.986  -3.717
  593    H    ILE  78           H        ILE  78  10.836 -18.004  -2.059
  594    HA   ILE  78           HA       ILE  78  11.102 -15.642  -0.567
  595    HB   ILE  78           HB       ILE  78   8.734 -17.345  -1.402
  596   HG12  ILE  78          HG12      ILE  78   9.714 -14.611  -2.351
  597   HG13  ILE  78          HG13      ILE  78  10.176 -16.129  -3.108
  598   HG21  ILE  78          HG21      ILE  78   8.547 -14.583  -0.124
  599   HG22  ILE  78          HG22      ILE  78   7.204 -15.492  -0.862
  600   HG23  ILE  78          HG23      ILE  78   7.964 -16.110   0.579
  601   HD11  ILE  78          HD11      ILE  78   7.374 -14.976  -3.012
  602   HD12  ILE  78          HD12      ILE  78   8.434 -15.184  -4.409
  603   HD13  ILE  78          HD13      ILE  78   7.774 -16.608  -3.594
  604    H    ALA  79           H        ALA  79   9.938 -18.821   0.470
  605    HA   ALA  79           HA       ALA  79   9.404 -19.709   2.473
  606    HB1  ALA  79           HB1      ALA  79  11.873 -19.837   2.362
  607    HB2  ALA  79           HB2      ALA  79  11.986 -18.318   3.281
  608    HB3  ALA  79           HB3      ALA  79  11.285 -19.768   4.032
  609    H    MET  80           H        MET  80   7.996 -17.277   2.134
  610    HA   MET  80           HA       MET  80   7.730 -15.969   4.748
  611    HB2  MET  80           HB2      MET  80   6.103 -15.976   2.170
  612    HB3  MET  80           HB3      MET  80   5.520 -15.186   3.626
  613    HG2  MET  80           HG2      MET  80   8.207 -14.545   2.372
  614    HG3  MET  80           HG3      MET  80   6.720 -13.691   1.976
  615    HE1  MET  80           HE1      MET  80   5.898 -11.583   5.077
  616    HE2  MET  80           HE2      MET  80   5.611 -11.872   3.348
  617    HE3  MET  80           HE3      MET  80   5.135 -13.096   4.547
  618    HA   PRO  81           HA       PRO  81   4.952 -18.908   6.694
  619    HB2  PRO  81           HB2      PRO  81   2.940 -16.648   6.789
  620    HB3  PRO  81           HB3      PRO  81   3.388 -17.811   8.081
  621    HG2  PRO  81           HG2      PRO  81   4.405 -15.309   8.109
  622    HG3  PRO  81           HG3      PRO  81   5.480 -16.708   8.442
  623    HD2  PRO  81           HD2      PRO  81   5.155 -15.153   5.872
  624    HD3  PRO  81           HD3      PRO  81   6.654 -15.730   6.661
  625    H    LYS  82           H        LYS  82   3.507 -20.438   5.911
  626    HA   LYS  82           HA       LYS  82   2.279 -19.834   3.260
  627    HB2  LYS  82           HB2      LYS  82   3.233 -22.518   4.344
  628    HB3  LYS  82           HB3      LYS  82   2.640 -22.207   2.721
  629    HG2  LYS  82           HG2      LYS  82   5.244 -21.166   3.886
  630    HG3  LYS  82           HG3      LYS  82   5.029 -22.515   2.766
  631    HD2  LYS  82           HD2      LYS  82   4.148 -20.980   1.033
  632    HD3  LYS  82           HD3      LYS  82   4.286 -19.624   2.148
  633    HE2  LYS  82           HE2      LYS  82   6.133 -19.595   0.584
  634    HE3  LYS  82           HE3      LYS  82   6.712 -19.829   2.227
  635    HZ1  LYS  82           HZ1      LYS  82   6.335 -22.169   0.442
  636    HZ2  LYS  82           HZ2      LYS  82   7.691 -21.241   0.371
  637    HZ3  LYS  82           HZ3      LYS  82   7.280 -22.027   1.761
  638    H    VAL  83           H        VAL  83   0.552 -21.321   2.653
  639    HA   VAL  83           HA       VAL  83  -1.087 -22.551   4.777
  640    HB   VAL  83           HB       VAL  83  -2.162 -21.007   2.371
  641   HG11  VAL  83          HG11      VAL  83  -4.378 -21.316   3.456
  642   HG12  VAL  83          HG12      VAL  83  -3.632 -22.864   3.065
  643   HG13  VAL  83          HG13      VAL  83  -3.614 -22.272   4.743
  644   HG21  VAL  83          HG21      VAL  83  -2.164 -20.156   5.289
  645   HG22  VAL  83          HG22      VAL  83  -1.352 -19.349   3.918
  646   HG23  VAL  83          HG23      VAL  83  -3.112 -19.375   4.000
  647    H    LYS  84           H        LYS  84  -1.899 -24.604   3.911
  648    HA   LYS  84           HA       LYS  84  -0.968 -25.389   1.212
  649    HB2  LYS  84           HB2      LYS  84  -0.159 -26.765   3.822
  650    HB3  LYS  84           HB3      LYS  84   0.016 -27.469   2.214
  651    HG2  LYS  84           HG2      LYS  84   1.454 -25.493   1.570
  652    HG3  LYS  84           HG3      LYS  84   1.411 -24.958   3.246
  653    HD2  LYS  84           HD2      LYS  84   3.472 -26.151   2.843
  654    HD3  LYS  84           HD3      LYS  84   2.474 -27.060   3.972
  655    HE2  LYS  84           HE2      LYS  84   3.578 -28.537   2.357
  656    HE3  LYS  84           HE3      LYS  84   1.824 -28.642   2.207
  657    HZ1  LYS  84           HZ1      LYS  84   3.022 -28.492   0.067
  658    HZ2  LYS  84           HZ2      LYS  84   1.932 -27.281   0.237
  659    HZ3  LYS  84           HZ3      LYS  84   3.550 -26.983   0.453
  660    H    GLY  85           H        GLY  85  -1.805 -27.545   0.632
  661    HA2  GLY  85           HA2      GLY  85  -4.594 -27.857   1.044
  662    HA3  GLY  85           HA3      GLY  85  -3.494 -29.067   0.363
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1   1.750  -0.903   1.792
    2    H2   ALA   1           H2       ALA   1   3.032   0.041   1.422
    3    H3   ALA   1           H3       ALA   1   1.590   0.727   1.801
    4    HA   ALA   1           HA       ALA   1   0.567  -0.189  -0.166
    5    HB1  ALA   1           HB1      ALA   1   1.513   2.076  -0.310
    6    HB2  ALA   1           HB2      ALA   1   3.099   1.407  -0.757
    7    HB3  ALA   1           HB3      ALA   1   1.706   1.210  -1.838
    8    H    GLU   2           H        GLU   2   0.832  -2.570  -0.082
    9    HA   GLU   2           HA       GLU   2   2.799  -3.645  -1.965
   10    HB2  GLU   2           HB2      GLU   2   4.066  -3.540   0.156
   11    HB3  GLU   2           HB3      GLU   2   2.753  -4.369   1.000
   12    HG2  GLU   2           HG2      GLU   2   3.159  -6.373  -0.503
   13    HG3  GLU   2           HG3      GLU   2   4.548  -5.516  -1.175
   14    H    HIS   3           H        HIS   3   2.047  -5.579  -2.796
   15    HA   HIS   3           HA       HIS   3  -0.055  -7.145  -1.486
   16    HB2  HIS   3           HB2      HIS   3  -0.170  -6.335  -4.430
   17    HB3  HIS   3           HB3      HIS   3  -1.213  -7.513  -3.644
   18    HD1  HIS   3           HD1      HIS   3  -2.555  -6.117  -1.313
   19    HD2  HIS   3           HD2      HIS   3  -1.442  -4.163  -4.868
   20    HE1  HIS   3           HE1      HIS   3  -4.008  -4.035  -1.466
   21    H    TRP   4           H        TRP   4  -0.033  -9.372  -2.623
   22    HA   TRP   4           HA       TRP   4   2.549  -9.931  -3.989
   23    HB2  TRP   4           HB2      TRP   4   1.264 -11.464  -1.686
   24    HB3  TRP   4           HB3      TRP   4   2.539 -12.111  -2.703
   25    HD1  TRP   4           HD1      TRP   4   2.094  -9.050  -0.359
   26    HE1  TRP   4           HE1      TRP   4   4.223  -8.687   0.975
   27    HE3  TRP   4           HE3      TRP   4   4.924 -12.836  -2.370
   28    HZ2  TRP   4           HZ2      TRP   4   6.805 -10.000   1.271
   29    HZ3  TRP   4           HZ3      TRP   4   7.184 -13.288  -1.482
   30    HH2  TRP   4           HH2      TRP   4   8.143 -11.880   0.325
   31    H    ILE   5           H        ILE   5   2.089 -10.967  -5.870
   32    HA   ILE   5           HA       ILE   5  -0.532 -12.354  -6.148
   33    HB   ILE   5           HB       ILE   5   1.015 -10.921  -8.324
   34   HG12  ILE   5          HG12      ILE   5   0.159  -9.244  -6.740
   35   HG13  ILE   5          HG13      ILE   5  -0.620  -9.161  -8.311
   36   HG21  ILE   5          HG21      ILE   5  -1.775 -12.169  -8.266
   37   HG22  ILE   5          HG22      ILE   5  -1.103 -11.214  -9.607
   38   HG23  ILE   5          HG23      ILE   5  -0.368 -12.760  -9.162
   39   HD11  ILE   5          HD11      ILE   5  -1.843 -10.382  -5.816
   40   HD12  ILE   5          HD12      ILE   5  -2.180  -8.768  -6.458
   41   HD13  ILE   5          HD13      ILE   5  -2.654 -10.197  -7.392
   42    H    ASP   6           H        ASP   6  -0.234 -14.380  -6.166
   43    HA   ASP   6           HA       ASP   6   2.170 -15.851  -6.920
   44    HB2  ASP   6           HB2      ASP   6   0.492 -16.441  -5.127
   45    HB3  ASP   6           HB3      ASP   6  -0.713 -16.663  -6.358
   46    H    VAL   7           H        VAL   7   2.483 -15.152  -9.153
   47    HA   VAL   7           HA       VAL   7   0.264 -15.023 -11.004
   48    HB   VAL   7           HB       VAL   7   1.855 -14.412 -12.676
   49   HG11  VAL   7          HG11      VAL   7   1.157 -12.693 -11.019
   50   HG12  VAL   7          HG12      VAL   7   2.626 -13.021 -10.085
   51   HG13  VAL   7          HG13      VAL   7   2.742 -12.377 -11.730
   52   HG21  VAL   7          HG21      VAL   7   4.222 -14.342 -12.417
   53   HG22  VAL   7          HG22      VAL   7   4.142 -14.855 -10.723
   54   HG23  VAL   7          HG23      VAL   7   3.731 -15.987 -12.028
   55    H    ARG   8           H        ARG   8   1.589 -17.622  -9.701
   56    HA   ARG   8           HA       ARG   8   2.375 -19.393 -11.795
   57    HB2  ARG   8           HB2      ARG   8   2.839 -19.336  -9.263
   58    HB3  ARG   8           HB3      ARG   8   1.165 -19.935  -9.083
   59    HG2  ARG   8           HG2      ARG   8   1.755 -22.046 -10.067
   60    HG3  ARG   8           HG3      ARG   8   3.371 -21.443 -10.509
   61    HD2  ARG   8           HD2      ARG   8   3.078 -22.943  -8.409
   62    HD3  ARG   8           HD3      ARG   8   4.148 -21.550  -8.321
   63    HE   ARG   8           HE       ARG   8   2.019 -20.363  -7.346
   64   HH11  ARG   8          HH11      ARG   8   3.400 -23.537  -6.443
   65   HH12  ARG   8          HH12      ARG   8   2.540 -23.588  -4.941
   66   HH21  ARG   8          HH21      ARG   8   0.895 -20.493  -5.449
   67   HH22  ARG   8          HH22      ARG   8   1.083 -21.849  -4.365
   68    H    VAL   9           H        VAL   9   1.218 -21.454 -12.251
   69    HA   VAL   9           HA       VAL   9  -1.455 -21.132 -13.037
   70    HB   VAL   9           HB       VAL   9  -1.415 -23.637 -13.343
   71   HG11  VAL   9          HG11      VAL   9   1.038 -22.200 -14.450
   72   HG12  VAL   9          HG12      VAL   9   0.248 -23.639 -15.121
   73   HG13  VAL   9          HG13      VAL   9  -0.612 -22.093 -15.103
   74   HG21  VAL   9          HG21      VAL   9   0.629 -24.904 -12.990
   75   HG22  VAL   9          HG22      VAL   9   1.451 -23.499 -12.292
   76   HG23  VAL   9          HG23      VAL   9   0.082 -24.249 -11.444
   77    HA   PRO  10           HA       PRO  10  -3.625 -21.436  -9.357
   78    HB2  PRO  10           HB2      PRO  10  -6.106 -22.321 -10.056
   79    HB3  PRO  10           HB3      PRO  10  -5.430 -20.750 -10.613
   80    HG2  PRO  10           HG2      PRO  10  -5.434 -23.388 -12.109
   81    HG3  PRO  10           HG3      PRO  10  -5.988 -21.782 -12.691
   82    HD2  PRO  10           HD2      PRO  10  -3.493 -22.684 -13.239
   83    HD3  PRO  10           HD3      PRO  10  -3.780 -20.967 -12.834
   84    H    GLU  11           H        GLU  11  -3.214 -24.465 -11.096
   85    HA   GLU  11           HA       GLU  11  -4.371 -26.244  -9.210
   86    HB2  GLU  11           HB2      GLU  11  -2.055 -26.647 -11.153
   87    HB3  GLU  11           HB3      GLU  11  -2.874 -27.943 -10.267
   88    HG2  GLU  11           HG2      GLU  11  -5.035 -27.290 -11.340
   89    HG3  GLU  11           HG3      GLU  11  -4.184 -26.065 -12.283
   90    H    GLN  12           H        GLN  12  -1.069 -24.791  -9.352
   91    HA   GLN  12           HA       GLN  12  -0.176 -26.399  -7.076
   92    HB2  GLN  12           HB2      GLN  12   1.101 -24.026  -8.477
   93    HB3  GLN  12           HB3      GLN  12   1.838 -25.030  -7.208
   94    HG2  GLN  12           HG2      GLN  12   1.691 -27.021  -8.663
   95    HG3  GLN  12           HG3      GLN  12   1.019 -26.023  -9.953
   96   HE21  GLN  12          HE22      GLN  12   2.748 -26.235 -11.452
   97   HE22  GLN  12          HE21      GLN  12   4.354 -25.636 -11.130
   98    H    TYR  13           H        TYR  13  -1.529 -23.141  -7.594
   99    HA   TYR  13           HA       TYR  13  -1.180 -22.061  -4.988
  100    HB2  TYR  13           HB2      TYR  13  -2.043 -20.520  -6.426
  101    HB3  TYR  13           HB3      TYR  13  -3.021 -21.676  -7.287
  102    HD1  TYR  13           HD1      TYR  13  -2.894 -20.105  -3.876
  103    HD2  TYR  13           HD2      TYR  13  -5.341 -21.517  -7.120
  104    HE1  TYR  13           HE1      TYR  13  -4.906 -19.260  -2.705
  105    HE2  TYR  13           HE2      TYR  13  -7.366 -20.710  -5.959
  106    HH   TYR  13           HH       TYR  13  -8.216 -19.633  -4.071
  107    H    GLN  14           H        GLN  14  -3.624 -24.354  -6.254
  108    HA   GLN  14           HA       GLN  14  -4.983 -24.632  -3.715
  109    HB2  GLN  14           HB2      GLN  14  -5.066 -26.175  -6.337
  110    HB3  GLN  14           HB3      GLN  14  -6.118 -26.545  -4.969
  111    HG2  GLN  14           HG2      GLN  14  -7.203 -24.420  -5.051
  112    HG3  GLN  14           HG3      GLN  14  -6.022 -23.760  -6.177
  113   HE21  GLN  14          HE22      GLN  14  -6.000 -24.455  -8.372
  114   HE22  GLN  14          HE21      GLN  14  -7.419 -25.197  -9.109
  115    H    GLN  15           H        GLN  15  -1.935 -25.310  -3.921
  116    HA   GLN  15           HA       GLN  15  -2.140 -27.774  -2.291
  117    HB2  GLN  15           HB2      GLN  15  -0.082 -27.262  -4.476
  118    HB3  GLN  15           HB3      GLN  15   0.055 -28.526  -3.263
  119    HG2  GLN  15           HG2      GLN  15  -2.257 -28.359  -5.248
  120    HG3  GLN  15           HG3      GLN  15  -0.783 -29.270  -5.518
  121   HE21  GLN  15          HE22      GLN  15  -3.725 -29.094  -3.491
  122   HE22  GLN  15          HE21      GLN  15  -3.626 -30.750  -2.918
  123    H    GLU  16           H        GLU  16  -0.318 -24.800  -3.127
  124    HA   GLU  16           HA       GLU  16   0.218 -24.415  -0.288
  125    HB2  GLU  16           HB2      GLU  16   2.110 -25.834  -1.054
  126    HB3  GLU  16           HB3      GLU  16   2.504 -24.649  -2.304
  127    HG2  GLU  16           HG2      GLU  16   3.062 -22.978  -0.604
  128    HG3  GLU  16           HG3      GLU  16   2.501 -24.031   0.683
  129    H    HIS  17           H        HIS  17   0.455 -22.141   0.139
  130    HA   HIS  17           HA       HIS  17   0.831 -20.244  -2.077
  131    HB2  HIS  17           HB2      HIS  17  -1.639 -20.878  -2.001
  132    HB3  HIS  17           HB3      HIS  17  -1.686 -20.190  -0.382
  133    HD1  HIS  17           HD1      HIS  17  -0.550 -18.779  -3.901
  134    HD2  HIS  17           HD2      HIS  17  -2.838 -17.935  -0.445
  135    HE1  HIS  17           HE1      HIS  17  -1.661 -16.558  -4.285
  136    H    VAL  18           H        VAL  18   1.339 -18.075  -1.151
  137    HA   VAL  18           HA       VAL  18   2.425 -18.136   1.558
  138    HB   VAL  18           HB       VAL  18   1.994 -15.858  -0.415
  139   HG11  VAL  18          HG11      VAL  18   2.101 -14.911   1.855
  140   HG12  VAL  18          HG12      VAL  18   3.572 -15.855   2.196
  141   HG13  VAL  18          HG13      VAL  18   3.586 -14.568   0.974
  142   HG21  VAL  18          HG21      VAL  18   4.456 -16.015  -0.704
  143   HG22  VAL  18          HG22      VAL  18   4.500 -17.418   0.396
  144   HG23  VAL  18          HG23      VAL  18   3.675 -17.519  -1.171
  145    H    GLN  19           H        GLN  19   1.505 -17.107   3.397
  146    HA   GLN  19           HA       GLN  19  -1.238 -17.692   3.703
  147    HB2  GLN  19           HB2      GLN  19   0.532 -17.814   5.426
  148    HB3  GLN  19           HB3      GLN  19   0.646 -16.051   5.457
  149    HG2  GLN  19           HG2      GLN  19  -1.624 -15.891   6.370
  150    HG3  GLN  19           HG3      GLN  19  -1.862 -17.631   6.179
  151   HE21  GLN  19          HE22      GLN  19  -0.111 -15.119   8.036
  152   HE22  GLN  19          HE21      GLN  19   0.348 -16.165   9.353
  153    H    GLY  20           H        GLY  20   0.270 -14.692   2.682
  154    HA2  GLY  20           HA2      GLY  20  -2.313 -13.201   2.880
  155    HA3  GLY  20           HA3      GLY  20  -0.778 -12.513   3.432
  156    H    ALA  21           H        ALA  21  -2.140 -14.209   0.564
  157    HA   ALA  21           HA       ALA  21  -0.981 -12.214  -1.282
  158    HB1  ALA  21           HB1      ALA  21  -0.091 -14.096  -2.684
  159    HB2  ALA  21           HB2      ALA  21   0.735 -13.952  -1.121
  160    HB3  ALA  21           HB3      ALA  21  -0.482 -15.227  -1.366
  161    H    ILE  22           H        ILE  22  -1.744 -12.857  -3.579
  162    HA   ILE  22           HA       ILE  22  -4.512 -13.976  -3.595
  163    HB   ILE  22           HB       ILE  22  -3.518 -12.093  -5.724
  164   HG12  ILE  22          HG12      ILE  22  -3.068 -10.715  -3.752
  165   HG13  ILE  22          HG13      ILE  22  -4.340 -10.080  -4.764
  166   HG21  ILE  22          HG21      ILE  22  -5.927 -11.520  -5.917
  167   HG22  ILE  22          HG22      ILE  22  -5.599 -13.236  -6.151
  168   HG23  ILE  22          HG23      ILE  22  -6.287 -12.675  -4.615
  169   HD11  ILE  22          HD11      ILE  22  -4.843 -11.601  -2.164
  170   HD12  ILE  22          HD12      ILE  22  -4.837  -9.838  -2.347
  171   HD13  ILE  22          HD13      ILE  22  -6.068 -10.803  -3.175
  172    H    ASN  23           H        ASN  23  -4.864 -15.346  -5.532
  173    HA   ASN  23           HA       ASN  23  -2.428 -15.880  -7.170
  174    HB2  ASN  23           HB2      ASN  23  -2.749 -17.969  -6.023
  175    HB3  ASN  23           HB3      ASN  23  -4.502 -17.892  -6.250
  176   HD21  ASN  23          HD22      ASN  23  -1.514 -17.734  -8.417
  177   HD22  ASN  23          HD21      ASN  23  -2.165 -18.828  -9.589
  178    H    ILE  24           H        ILE  24  -2.634 -15.431  -9.168
  179    HA   ILE  24           HA       ILE  24  -5.179 -15.666 -10.554
  180    HB   ILE  24           HB       ILE  24  -3.569 -13.097 -10.820
  181   HG12  ILE  24          HG12      ILE  24  -6.165 -13.281  -9.283
  182   HG13  ILE  24          HG13      ILE  24  -4.556 -13.014  -8.586
  183   HG21  ILE  24          HG21      ILE  24  -5.435 -12.363 -12.190
  184   HG22  ILE  24          HG22      ILE  24  -4.788 -13.884 -12.775
  185   HG23  ILE  24          HG23      ILE  24  -6.302 -13.888 -11.844
  186   HD11  ILE  24          HD11      ILE  24  -5.647 -10.900  -8.701
  187   HD12  ILE  24          HD12      ILE  24  -4.324 -10.909  -9.881
  188   HD13  ILE  24          HD13      ILE  24  -6.008 -11.096 -10.421
  189    HA   PRO  25           HA       PRO  25  -1.626 -17.349 -12.814
  190    HB2  PRO  25           HB2      PRO  25  -2.815 -18.206 -15.132
  191    HB3  PRO  25           HB3      PRO  25  -3.000 -19.046 -13.558
  192    HG2  PRO  25           HG2      PRO  25  -4.907 -17.070 -14.833
  193    HG3  PRO  25           HG3      PRO  25  -5.284 -18.665 -14.109
  194    HD2  PRO  25           HD2      PRO  25  -5.579 -16.326 -12.722
  195    HD3  PRO  25           HD3      PRO  25  -5.038 -17.830 -11.913
  196    H    LEU  26           H        LEU  26  -0.180 -16.472 -14.301
  197    HA   LEU  26           HA       LEU  26  -0.160 -13.803 -14.616
  198    HB2  LEU  26           HB2      LEU  26   1.764 -15.312 -14.831
  199    HB3  LEU  26           HB3      LEU  26   1.222 -15.815 -16.428
  200    HG   LEU  26           HG       LEU  26   1.675 -13.615 -17.357
  201   HD11  LEU  26          HD11      LEU  26   2.786 -11.839 -15.948
  202   HD12  LEU  26          HD12      LEU  26   1.088 -12.083 -15.573
  203   HD13  LEU  26          HD13      LEU  26   2.325 -12.768 -14.500
  204   HD21  LEU  26          HD21      LEU  26   3.552 -15.229 -17.123
  205   HD22  LEU  26          HD22      LEU  26   4.115 -13.556 -17.046
  206   HD23  LEU  26          HD23      LEU  26   3.980 -14.508 -15.557
  207    H    LYS  27           H        LYS  27  -1.498 -16.004 -17.090
  208    HA   LYS  27           HA       LYS  27  -1.880 -14.091 -19.126
  209    HB2  LYS  27           HB2      LYS  27  -3.447 -15.648 -20.105
  210    HB3  LYS  27           HB3      LYS  27  -2.036 -16.504 -19.491
  211    HG2  LYS  27           HG2      LYS  27  -3.387 -17.149 -17.445
  212    HG3  LYS  27           HG3      LYS  27  -4.798 -16.378 -18.196
  213    HD2  LYS  27           HD2      LYS  27  -4.580 -17.936 -20.149
  214    HD3  LYS  27           HD3      LYS  27  -3.188 -18.686 -19.364
  215    HE2  LYS  27           HE2      LYS  27  -5.032 -20.114 -18.938
  216    HE3  LYS  27           HE3      LYS  27  -4.657 -19.305 -17.416
  217    HZ1  LYS  27           HZ1      LYS  27  -6.860 -18.564 -19.266
  218    HZ2  LYS  27           HZ2      LYS  27  -7.036 -19.363 -17.862
  219    HZ3  LYS  27           HZ3      LYS  27  -6.544 -17.810 -17.846
  220    H    GLU  28           H        GLU  28  -3.820 -14.681 -16.197
  221    HA   GLU  28           HA       GLU  28  -5.939 -12.840 -17.115
  222    HB2  GLU  28           HB2      GLU  28  -5.608 -14.774 -14.876
  223    HB3  GLU  28           HB3      GLU  28  -6.313 -13.227 -14.405
  224    HG2  GLU  28           HG2      GLU  28  -8.052 -13.390 -16.068
  225    HG3  GLU  28           HG3      GLU  28  -7.373 -14.907 -16.688
  226    H    VAL  29           H        VAL  29  -3.128 -12.905 -14.909
  227    HA   VAL  29           HA       VAL  29  -3.577 -10.573 -13.468
  228    HB   VAL  29           HB       VAL  29  -0.970 -11.716 -14.524
  229   HG11  VAL  29          HG11      VAL  29  -0.495  -9.380 -13.957
  230   HG12  VAL  29          HG12      VAL  29  -1.279  -9.587 -12.373
  231   HG13  VAL  29          HG13      VAL  29   0.216 -10.464 -12.762
  232   HG21  VAL  29          HG21      VAL  29  -2.150 -11.782 -11.727
  233   HG22  VAL  29          HG22      VAL  29  -2.359 -13.093 -12.903
  234   HG23  VAL  29          HG23      VAL  29  -0.746 -12.689 -12.323
  235    H    LYS  30           H        LYS  30  -2.255 -10.793 -16.790
  236    HA   LYS  30           HA       LYS  30  -1.645  -8.050 -16.983
  237    HB2  LYS  30           HB2      LYS  30  -1.274 -10.386 -18.508
  238    HB3  LYS  30           HB3      LYS  30  -2.305  -9.436 -19.558
  239    HG2  LYS  30           HG2      LYS  30   0.116  -8.148 -18.256
  240    HG3  LYS  30           HG3      LYS  30   0.352  -9.292 -19.580
  241    HD2  LYS  30           HD2      LYS  30  -1.116  -7.891 -21.041
  242    HD3  LYS  30           HD3      LYS  30  -1.193  -6.673 -19.744
  243    HE2  LYS  30           HE2      LYS  30   1.247  -6.413 -19.785
  244    HE3  LYS  30           HE3      LYS  30   1.403  -7.741 -20.940
  245    HZ1  LYS  30           HZ1      LYS  30   0.225  -6.384 -22.567
  246    HZ2  LYS  30           HZ2      LYS  30   0.136  -5.130 -21.515
  247    HZ3  LYS  30           HZ3      LYS  30   1.599  -5.662 -22.053
  248    H    GLU  31           H        GLU  31  -4.732  -9.153 -16.654
  249    HA   GLU  31           HA       GLU  31  -5.693  -6.528 -17.639
  250    HB2  GLU  31           HB2      GLU  31  -6.502  -8.222 -19.214
  251    HB3  GLU  31           HB3      GLU  31  -7.120  -9.215 -17.882
  252    HG2  GLU  31           HG2      GLU  31  -8.710  -7.468 -17.262
  253    HG3  GLU  31           HG3      GLU  31  -8.040  -6.376 -18.479
  254    H    ARG  32           H        ARG  32  -6.203  -9.354 -15.516
  255    HA   ARG  32           HA       ARG  32  -8.121  -8.104 -13.868
  256    HB2  ARG  32           HB2      ARG  32  -7.787 -10.562 -14.266
  257    HB3  ARG  32           HB3      ARG  32  -6.380 -10.508 -13.189
  258    HG2  ARG  32           HG2      ARG  32  -7.766  -9.904 -11.302
  259    HG3  ARG  32           HG3      ARG  32  -9.176  -9.609 -12.339
  260    HD2  ARG  32           HD2      ARG  32  -9.419 -11.935 -12.857
  261    HD3  ARG  32           HD3      ARG  32  -7.824 -12.319 -12.200
  262    HE   ARG  32           HE       ARG  32  -9.505 -11.174 -10.178
  263   HH11  ARG  32          HH11      ARG  32  -9.042 -14.208 -12.003
  264   HH12  ARG  32          HH12      ARG  32  -9.527 -15.217 -10.679
  265   HH21  ARG  32          HH21      ARG  32 -10.184 -12.535  -8.448
  266   HH22  ARG  32          HH22      ARG  32 -10.220 -14.244  -8.639
  267    H    ILE  33           H        ILE  33  -4.592  -7.834 -13.737
  268    HA   ILE  33           HA       ILE  33  -4.502  -7.097 -10.977
  269    HB   ILE  33           HB       ILE  33  -2.468  -7.553 -12.380
  270   HG12  ILE  33          HG12      ILE  33  -1.092  -5.628 -11.322
  271   HG13  ILE  33          HG13      ILE  33  -2.602  -5.044 -10.637
  272   HG21  ILE  33          HG21      ILE  33  -2.734  -4.689 -13.357
  273   HG22  ILE  33          HG22      ILE  33  -1.472  -5.861 -13.754
  274   HG23  ILE  33          HG23      ILE  33  -3.120  -6.103 -14.339
  275   HD11  ILE  33          HD11      ILE  33  -1.384  -7.810 -10.208
  276   HD12  ILE  33          HD12      ILE  33  -1.384  -6.467  -9.050
  277   HD13  ILE  33          HD13      ILE  33  -2.910  -7.249  -9.488
  278    H    ALA  34           H        ALA  34  -5.495  -5.293 -13.921
  279    HA   ALA  34           HA       ALA  34  -5.631  -2.744 -12.655
  280    HB1  ALA  34           HB1      ALA  34  -7.154  -2.123 -14.461
  281    HB2  ALA  34           HB2      ALA  34  -5.832  -3.108 -15.121
  282    HB3  ALA  34           HB3      ALA  34  -7.442  -3.826 -14.856
  283    H    THR  35           H        THR  35  -7.852  -5.508 -12.569
  284    HA   THR  35           HA       THR  35  -9.989  -4.107 -11.231
  285    HB   THR  35           HB       THR  35  -9.488  -7.100 -11.196
  286    HG1  THR  35           HG1      THR  35 -10.447  -5.573 -13.385
  287   HG21  THR  35          HG21      THR  35 -11.481  -6.311  -9.999
  288   HG22  THR  35          HG22      THR  35 -12.045  -5.463 -11.455
  289   HG23  THR  35          HG23      THR  35 -11.934  -7.240 -11.437
  290    H    ALA  36           H        ALA  36  -7.283  -6.201 -10.229
  291    HA   ALA  36           HA       ALA  36  -8.164  -6.349  -7.472
  292    HB1  ALA  36           HB1      ALA  36  -6.107  -7.686  -7.179
  293    HB2  ALA  36           HB2      ALA  36  -7.012  -8.213  -8.612
  294    HB3  ALA  36           HB3      ALA  36  -5.553  -7.212  -8.798
  295    H    VAL  37           H        VAL  37  -5.780  -4.427  -9.218
  296    HA   VAL  37           HA       VAL  37  -5.081  -2.852  -6.817
  297    HB   VAL  37           HB       VAL  37  -2.998  -3.940  -8.754
  298   HG11  VAL  37          HG11      VAL  37  -2.794  -2.585  -6.034
  299   HG12  VAL  37          HG12      VAL  37  -1.425  -3.170  -7.013
  300   HG13  VAL  37          HG13      VAL  37  -2.419  -1.846  -7.597
  301   HG21  VAL  37          HG21      VAL  37  -3.771  -5.905  -7.624
  302   HG22  VAL  37          HG22      VAL  37  -2.227  -5.435  -6.933
  303   HG23  VAL  37          HG23      VAL  37  -3.729  -5.086  -6.042
  304    HA   PRO  38           HA       PRO  38  -6.066  -0.467 -10.705
  305    HB2  PRO  38           HB2      PRO  38  -7.772   1.403  -9.572
  306    HB3  PRO  38           HB3      PRO  38  -8.298  -0.176 -10.220
  307    HG2  PRO  38           HG2      PRO  38  -7.703   0.557  -7.343
  308    HG3  PRO  38           HG3      PRO  38  -9.097  -0.366  -7.990
  309    HD2  PRO  38           HD2      PRO  38  -6.932  -1.615  -6.897
  310    HD3  PRO  38           HD3      PRO  38  -7.776  -2.305  -8.316
  311    H    ASP  39           H        ASP  39  -5.106   0.501  -7.403
  312    HA   ASP  39           HA       ASP  39  -3.873   3.009  -8.301
  313    HB2  ASP  39           HB2      ASP  39  -4.780   2.947  -6.063
  314    HB3  ASP  39           HB3      ASP  39  -3.772   1.557  -5.642
  315    H    LYS  40           H        LYS  40  -2.325   2.563  -9.780
  316    HA   LYS  40           HA       LYS  40  -0.581   0.369  -9.826
  317    HB2  LYS  40           HB2      LYS  40  -0.388   3.163 -11.029
  318    HB3  LYS  40           HB3      LYS  40   0.781   1.898 -11.366
  319    HG2  LYS  40           HG2      LYS  40  -1.169   0.397 -12.063
  320    HG3  LYS  40           HG3      LYS  40  -2.207   1.826 -11.958
  321    HD2  LYS  40           HD2      LYS  40  -0.754   2.949 -13.669
  322    HD3  LYS  40           HD3      LYS  40   0.206   1.454 -13.784
  323    HE2  LYS  40           HE2      LYS  40  -1.871   0.199 -14.395
  324    HE3  LYS  40           HE3      LYS  40  -2.779   1.716 -14.358
  325    HZ1  LYS  40           HZ1      LYS  40  -0.560   1.054 -16.214
  326    HZ2  LYS  40           HZ2      LYS  40  -2.140   1.185 -16.599
  327    HZ3  LYS  40           HZ3      LYS  40  -1.313   2.517 -16.155
  328    H    ASN  41           H        ASN  41  -0.403   2.998  -7.589
  329    HA   ASN  41           HA       ASN  41   2.498   2.917  -7.274
  330    HB2  ASN  41           HB2      ASN  41   1.082   4.951  -6.831
  331    HB3  ASN  41           HB3      ASN  41   0.363   4.101  -5.460
  332   HD21  ASN  41          HD22      ASN  41   1.342   4.543  -3.488
  333   HD22  ASN  41          HD21      ASN  41   2.995   5.065  -3.301
  334    H    ASP  42           H        ASP  42  -0.098   0.862  -6.150
  335    HA   ASP  42           HA       ASP  42   1.188   0.073  -3.642
  336    HB2  ASP  42           HB2      ASP  42  -1.131  -0.889  -5.269
  337    HB3  ASP  42           HB3      ASP  42  -0.267  -2.107  -4.340
  338    H    THR  43           H        THR  43   2.875  -1.333  -3.395
  339    HA   THR  43           HA       THR  43   4.362  -2.202  -5.668
  340    HB   THR  43           HB       THR  43   4.621  -3.067  -2.756
  341    HG1  THR  43           HG1      THR  43   4.830  -1.000  -2.601
  342   HG21  THR  43          HG21      THR  43   6.651  -3.041  -5.015
  343   HG22  THR  43          HG22      THR  43   6.999  -3.375  -3.298
  344   HG23  THR  43          HG23      THR  43   5.941  -4.460  -4.202
  345    H    VAL  44           H        VAL  44   3.274  -3.565  -7.041
  346    HA   VAL  44           HA       VAL  44   2.028  -5.997  -5.990
  347    HB   VAL  44           HB       VAL  44   2.780  -5.371  -8.884
  348   HG11  VAL  44          HG11      VAL  44   0.732  -7.230  -7.588
  349   HG12  VAL  44          HG12      VAL  44   0.989  -7.042  -9.334
  350   HG13  VAL  44          HG13      VAL  44   2.253  -7.763  -8.328
  351   HG21  VAL  44          HG21      VAL  44   1.292  -3.579  -8.097
  352   HG22  VAL  44          HG22      VAL  44   0.405  -4.676  -9.154
  353   HG23  VAL  44          HG23      VAL  44   0.189  -4.780  -7.390
  354    H    LYS  45           H        LYS  45   3.459  -7.273  -4.895
  355    HA   LYS  45           HA       LYS  45   6.064  -7.919  -6.085
  356    HB2  LYS  45           HB2      LYS  45   4.660  -9.154  -3.669
  357    HB3  LYS  45           HB3      LYS  45   6.324  -9.450  -4.206
  358    HG2  LYS  45           HG2      LYS  45   6.669  -6.915  -4.055
  359    HG3  LYS  45           HG3      LYS  45   5.117  -6.840  -3.211
  360    HD2  LYS  45           HD2      LYS  45   5.951  -7.930  -1.311
  361    HD3  LYS  45           HD3      LYS  45   7.312  -8.671  -2.185
  362    HE2  LYS  45           HE2      LYS  45   8.432  -6.548  -2.444
  363    HE3  LYS  45           HE3      LYS  45   7.036  -5.659  -1.819
  364    HZ1  LYS  45           HZ1      LYS  45   8.868  -5.974  -0.206
  365    HZ2  LYS  45           HZ2      LYS  45   7.412  -6.477   0.323
  366    HZ3  LYS  45           HZ3      LYS  45   8.558  -7.578  -0.160
  367    H    VAL  46           H        VAL  46   6.449  -9.845  -7.262
  368    HA   VAL  46           HA       VAL  46   4.043 -11.531  -7.810
  369    HB   VAL  46           HB       VAL  46   4.949 -11.804 -10.110
  370   HG11  VAL  46          HG11      VAL  46   3.056 -10.289  -9.582
  371   HG12  VAL  46          HG12      VAL  46   4.199  -8.943  -9.373
  372   HG13  VAL  46          HG13      VAL  46   4.013  -9.719 -10.958
  373   HG21  VAL  46          HG21      VAL  46   7.292 -10.996  -9.744
  374   HG22  VAL  46          HG22      VAL  46   6.470 -10.159 -11.065
  375   HG23  VAL  46          HG23      VAL  46   6.661  -9.349  -9.512
  376    H    TYR  47           H        TYR  47   4.294 -13.724  -7.692
  377    HA   TYR  47           HA       TYR  47   7.011 -14.839  -7.693
  378    HB2  TYR  47           HB2      TYR  47   6.884 -15.925  -5.658
  379    HB3  TYR  47           HB3      TYR  47   6.469 -14.264  -5.318
  380    HD1  TYR  47           HD2      TYR  47   4.150 -13.637  -4.666
  381    HD2  TYR  47           HD1      TYR  47   5.280 -17.746  -5.357
  382    HE1  TYR  47           HE2      TYR  47   2.198 -14.398  -3.349
  383    HE2  TYR  47           HE1      TYR  47   3.296 -18.504  -4.091
  384    HH   TYR  47           HH       TYR  47   0.999 -16.240  -2.567
  385    H    CYS  48           H        CYS  48   6.907 -17.304  -7.705
  386    HA   CYS  48           HA       CYS  48   4.459 -18.536  -8.495
  387    HB2  CYS  48           HB2      CYS  48   5.239 -19.307 -10.708
  388    HB3  CYS  48           HB3      CYS  48   5.177 -17.549 -10.646
  389    HG   CYS  48           HG       CYS  48   7.726 -17.179 -10.116
  390    H    ASN  49           H        ASN  49   6.305 -20.747  -9.720
  391    HA   ASN  49           HA       ASN  49   6.502 -22.227  -7.247
  392    HB2  ASN  49           HB2      ASN  49   6.037 -23.264  -9.473
  393    HB3  ASN  49           HB3      ASN  49   7.673 -22.861  -9.997
  394   HD21  ASN  49          HD22      ASN  49   5.713 -25.150  -8.221
  395   HD22  ASN  49          HD21      ASN  49   7.035 -26.151  -7.664
  396    H    ALA  50           H        ALA  50   8.896 -20.597  -9.347
  397    HA   ALA  50           HA       ALA  50  10.915 -20.783  -7.164
  398    HB1  ALA  50           HB1      ALA  50  12.591 -21.623  -8.737
  399    HB2  ALA  50           HB2      ALA  50  11.212 -22.738  -8.674
  400    HB3  ALA  50           HB3      ALA  50  11.399 -21.638 -10.054
  401    H    GLY  51           H        GLY  51   9.907 -19.195 -10.255
  402    HA2  GLY  51           HA2      GLY  51  10.480 -16.653  -9.616
  403    HA3  GLY  51           HA3      GLY  51  12.092 -17.242 -10.011
  404    H    ARG  52           H        ARG  52  10.772 -19.063 -12.226
  405    HA   ARG  52           HA       ARG  52  11.519 -17.248 -14.228
  406    HB2  ARG  52           HB2      ARG  52  10.906 -18.920 -15.860
  407    HB3  ARG  52           HB3      ARG  52  11.773 -19.626 -14.503
  408    HG2  ARG  52           HG2      ARG  52   9.578 -20.466 -13.586
  409    HG3  ARG  52           HG3      ARG  52   8.776 -19.834 -15.038
  410    HD2  ARG  52           HD2      ARG  52  10.230 -21.285 -16.455
  411    HD3  ARG  52           HD3      ARG  52  10.989 -21.921 -14.996
  412    HE   ARG  52           HE       ARG  52   9.146 -23.202 -14.524
  413   HH11  ARG  52          HH11      ARG  52   8.335 -21.064 -17.247
  414   HH12  ARG  52          HH12      ARG  52   6.858 -21.868 -17.620
  415   HH21  ARG  52          HH21      ARG  52   7.185 -24.279 -15.035
  416   HH22  ARG  52          HH22      ARG  52   6.200 -23.743 -16.341
  417    H    GLN  53           H        GLN  53   8.138 -18.226 -13.400
  418    HA   GLN  53           HA       GLN  53   7.102 -16.605 -15.568
  419    HB2  GLN  53           HB2      GLN  53   6.071 -18.711 -14.592
  420    HB3  GLN  53           HB3      GLN  53   5.531 -17.737 -13.213
  421    HG2  GLN  53           HG2      GLN  53   4.007 -16.524 -14.506
  422    HG3  GLN  53           HG3      GLN  53   4.836 -16.899 -16.024
  423   HE21  GLN  53          HE22      GLN  53   2.145 -17.838 -14.024
  424   HE22  GLN  53          HE21      GLN  53   1.810 -19.317 -14.888
  425    H    SER  54           H        SER  54   7.614 -16.098 -12.043
  426    HA   SER  54           HA       SER  54   6.279 -13.553 -11.950
  427    HB2  SER  54           HB2      SER  54   7.780 -13.401  -9.835
  428    HB3  SER  54           HB3      SER  54   6.490 -14.610  -9.932
  429    HG   SER  54           HG       SER  54   8.559 -15.468  -9.177
  430    H    GLY  55           H        GLY  55   9.619 -14.604 -12.743
  431    HA2  GLY  55           HA2      GLY  55  10.851 -12.059 -12.846
  432    HA3  GLY  55           HA3      GLY  55  11.296 -13.487 -13.807
  433    H    GLN  56           H        GLN  56   9.155 -13.958 -15.418
  434    HA   GLN  56           HA       GLN  56   9.273 -11.865 -17.320
  435    HB2  GLN  56           HB2      GLN  56   8.809 -14.278 -17.822
  436    HB3  GLN  56           HB3      GLN  56   7.203 -14.107 -17.108
  437    HG2  GLN  56           HG2      GLN  56   7.145 -13.986 -19.576
  438    HG3  GLN  56           HG3      GLN  56   6.568 -12.497 -18.844
  439   HE21  GLN  56          HE22      GLN  56   7.935 -10.576 -18.931
  440   HE22  GLN  56          HE21      GLN  56   9.387 -10.495 -19.903
  441    H    ALA  57           H        ALA  57   6.820 -12.648 -14.821
  442    HA   ALA  57           HA       ALA  57   4.914 -10.731 -15.545
  443    HB1  ALA  57           HB1      ALA  57   5.535 -11.617 -12.713
  444    HB2  ALA  57           HB2      ALA  57   4.015 -10.962 -13.334
  445    HB3  ALA  57           HB3      ALA  57   4.578 -12.555 -13.884
  446    H    LYS  58           H        LYS  58   7.902 -10.287 -13.546
  447    HA   LYS  58           HA       LYS  58   7.237  -7.715 -12.632
  448    HB2  LYS  58           HB2      LYS  58   9.069  -8.832 -11.646
  449    HB3  LYS  58           HB3      LYS  58   9.983  -8.876 -13.165
  450    HG2  LYS  58           HG2      LYS  58  10.424  -6.561 -13.134
  451    HG3  LYS  58           HG3      LYS  58   9.098  -6.203 -12.026
  452    HD2  LYS  58           HD2      LYS  58  10.270  -7.169 -10.157
  453    HD3  LYS  58           HD3      LYS  58  11.595  -7.731 -11.221
  454    HE2  LYS  58           HE2      LYS  58  11.956  -5.286 -11.849
  455    HE3  LYS  58           HE3      LYS  58  10.817  -4.852 -10.570
  456    HZ1  LYS  58           HZ1      LYS  58  13.384  -6.292 -10.187
  457    HZ2  LYS  58           HZ2      LYS  58  13.092  -4.742  -9.794
  458    HZ3  LYS  58           HZ3      LYS  58  12.349  -5.938  -8.966
  459    H    GLU  59           H        GLU  59   8.715  -8.755 -15.735
  460    HA   GLU  59           HA       GLU  59   9.250  -6.076 -16.692
  461    HB2  GLU  59           HB2      GLU  59   8.793  -8.638 -18.279
  462    HB3  GLU  59           HB3      GLU  59   9.474  -7.131 -18.897
  463    HG2  GLU  59           HG2      GLU  59  11.361  -7.388 -17.238
  464    HG3  GLU  59           HG3      GLU  59  10.734  -8.996 -16.851
  465    H    ILE  60           H        ILE  60   6.585  -8.423 -17.076
  466    HA   ILE  60           HA       ILE  60   5.026  -6.939 -18.924
  467    HB   ILE  60           HB       ILE  60   4.595  -9.191 -16.954
  468   HG12  ILE  60          HG12      ILE  60   4.307  -9.030 -19.986
  469   HG13  ILE  60          HG13      ILE  60   5.781  -9.508 -19.149
  470   HG21  ILE  60          HG21      ILE  60   2.385  -7.973 -18.598
  471   HG22  ILE  60          HG22      ILE  60   2.284  -9.534 -17.738
  472   HG23  ILE  60          HG23      ILE  60   2.467  -8.054 -16.822
  473   HD11  ILE  60          HD11      ILE  60   4.540 -11.425 -18.109
  474   HD12  ILE  60          HD12      ILE  60   3.139 -11.020 -19.134
  475   HD13  ILE  60          HD13      ILE  60   4.664 -11.499 -19.880
  476    H    LEU  61           H        LEU  61   4.906  -6.922 -15.289
  477    HA   LEU  61           HA       LEU  61   2.729  -5.007 -15.342
  478    HB2  LEU  61           HB2      LEU  61   4.642  -5.815 -13.132
  479    HB3  LEU  61           HB3      LEU  61   3.271  -4.719 -12.923
  480    HG   LEU  61           HG       LEU  61   3.140  -7.670 -13.671
  481   HD11  LEU  61          HD11      LEU  61   3.594  -7.136 -11.295
  482   HD12  LEU  61          HD12      LEU  61   2.134  -6.124 -11.251
  483   HD13  LEU  61          HD13      LEU  61   2.003  -7.880 -11.514
  484   HD21  LEU  61          HD21      LEU  61   0.635  -7.361 -13.442
  485   HD22  LEU  61          HD22      LEU  61   0.906  -5.609 -13.543
  486   HD23  LEU  61          HD23      LEU  61   1.329  -6.678 -14.907
  487    H    SER  62           H        SER  62   6.267  -4.704 -15.372
  488    HA   SER  62           HA       SER  62   6.303  -1.856 -14.944
  489    HB2  SER  62           HB2      SER  62   8.277  -3.590 -16.487
  490    HB3  SER  62           HB3      SER  62   8.554  -1.962 -15.854
  491    HG   SER  62           HG       SER  62   8.143  -4.384 -14.421
  492    H    GLU  63           H        GLU  63   5.961  -3.921 -17.895
  493    HA   GLU  63           HA       GLU  63   5.840  -1.818 -19.785
  494    HB2  GLU  63           HB2      GLU  63   6.164  -4.199 -20.350
  495    HB3  GLU  63           HB3      GLU  63   4.530  -4.570 -19.810
  496    HG2  GLU  63           HG2      GLU  63   3.639  -3.009 -21.563
  497    HG3  GLU  63           HG3      GLU  63   5.291  -2.825 -22.167
  498    H    MET  64           H        MET  64   3.282  -3.367 -17.785
  499    HA   MET  64           HA       MET  64   1.130  -1.698 -18.737
  500    HB2  MET  64           HB2      MET  64   1.454  -3.322 -16.181
  501    HB3  MET  64           HB3      MET  64  -0.030  -2.495 -16.656
  502    HG2  MET  64           HG2      MET  64  -0.132  -3.822 -18.735
  503    HG3  MET  64           HG3      MET  64   1.346  -4.660 -18.277
  504    HE1  MET  64           HE1      MET  64  -2.010  -3.695 -16.228
  505    HE2  MET  64           HE2      MET  64  -2.440  -4.264 -17.860
  506    HE3  MET  64           HE3      MET  64  -2.848  -5.246 -16.442
  507    H    GLY  65           H        GLY  65   3.866  -0.752 -16.999
  508    HA2  GLY  65           HA2      GLY  65   4.383   1.312 -16.218
  509    HA3  GLY  65           HA3      GLY  65   2.733   1.849 -16.575
  510    H    TYR  66           H        TYR  66   3.202  -0.949 -14.421
  511    HA   TYR  66           HA       TYR  66   2.022   0.479 -12.178
  512    HB2  TYR  66           HB2      TYR  66   3.201  -2.272 -12.549
  513    HB3  TYR  66           HB3      TYR  66   2.983  -1.613 -10.933
  514    HD1  TYR  66           HD1      TYR  66   1.040  -2.113 -14.129
  515    HD2  TYR  66           HD2      TYR  66   0.942  -1.844  -9.824
  516    HE1  TYR  66           HE1      TYR  66  -1.411  -2.502 -14.162
  517    HE2  TYR  66           HE2      TYR  66  -1.495  -2.280  -9.851
  518    HH   TYR  66           HH       TYR  66  -3.382  -2.364 -11.158
  519    H    THR  67           H        THR  67   3.037   1.849 -10.827
  520    HA   THR  67           HA       THR  67   5.758   2.527 -11.497
  521    HB   THR  67           HB       THR  67   5.253   4.389  -9.826
  522    HG1  THR  67           HG1      THR  67   3.138   4.556  -9.150
  523   HG21  THR  67          HG21      THR  67   3.215   3.965 -12.072
  524   HG22  THR  67          HG22      THR  67   3.684   5.520 -11.346
  525   HG23  THR  67          HG23      THR  67   4.861   4.598 -12.295
  526    H    HIS  68           H        HIS  68   4.292   0.503  -9.097
  527    HA   HIS  68           HA       HIS  68   6.996   0.040  -7.947
  528    HB2  HIS  68           HB2      HIS  68   4.347   0.217  -6.456
  529    HB3  HIS  68           HB3      HIS  68   5.741  -0.702  -5.890
  530    HD1  HIS  68           HD1      HIS  68   6.512   0.466  -3.866
  531    HD2  HIS  68           HD2      HIS  68   5.742   3.045  -7.097
  532    HE1  HIS  68           HE1      HIS  68   7.348   2.781  -3.156
  533    H    VAL  69           H        VAL  69   7.576  -1.945  -8.539
  534    HA   VAL  69           HA       VAL  69   5.711  -4.205  -8.389
  535    HB   VAL  69           HB       VAL  69   7.509  -3.615 -10.799
  536   HG11  VAL  69          HG11      VAL  69   6.581  -5.692 -11.774
  537   HG12  VAL  69          HG12      VAL  69   7.515  -6.028 -10.321
  538   HG13  VAL  69          HG13      VAL  69   5.736  -6.038 -10.247
  539   HG21  VAL  69          HG21      VAL  69   5.427  -2.334 -10.970
  540   HG22  VAL  69          HG22      VAL  69   5.456  -3.629 -12.154
  541   HG23  VAL  69          HG23      VAL  69   4.472  -3.806 -10.678
  542    H    GLU  70           H        GLU  70   6.969  -6.112  -7.734
  543    HA   GLU  70           HA       GLU  70   9.846  -5.848  -7.880
  544    HB2  GLU  70           HB2      GLU  70   9.280  -4.854  -5.625
  545    HB3  GLU  70           HB3      GLU  70   8.569  -6.406  -5.170
  546    HG2  GLU  70           HG2      GLU  70  10.829  -6.107  -4.276
  547    HG3  GLU  70           HG3      GLU  70  10.713  -7.509  -5.333
  548    H    ASN  71           H        ASN  71  10.920  -7.896  -7.713
  549    HA   ASN  71           HA       ASN  71   9.092 -10.164  -8.378
  550    HB2  ASN  71           HB2      ASN  71  10.959  -9.649  -9.975
  551    HB3  ASN  71           HB3      ASN  71  12.124  -9.951  -8.673
  552   HD21  ASN  71          HD22      ASN  71   9.573 -11.409 -10.729
  553   HD22  ASN  71          HD21      ASN  71  10.062 -13.066 -10.401
  554    H    ALA  72           H        ALA  72   8.827 -11.790  -6.919
  555    HA   ALA  72           HA       ALA  72  10.548 -11.777  -4.489
  556    HB1  ALA  72           HB1      ALA  72   7.585 -12.397  -4.773
  557    HB2  ALA  72           HB2      ALA  72   8.540 -12.523  -3.279
  558    HB3  ALA  72           HB3      ALA  72   8.303 -10.945  -4.044
  559    H    GLY  73           H        GLY  73  10.667 -13.376  -7.195
  560    HA2  GLY  73           HA2      GLY  73  11.478 -15.431  -7.755
  561    HA3  GLY  73           HA3      GLY  73  11.793 -15.697  -6.035
  562    H    GLY  74           H        GLY  74  10.643 -17.349  -5.078
  563    HA2  GLY  74           HA2      GLY  74   7.913 -17.888  -5.800
  564    HA3  GLY  74           HA3      GLY  74   9.025 -19.119  -6.411
  565    H    LEU  75           H        LEU  75   7.147 -19.911  -4.752
  566    HA   LEU  75           HA       LEU  75   7.325 -19.481  -2.020
  567    HB2  LEU  75           HB2      LEU  75   6.122 -21.540  -3.812
  568    HB3  LEU  75           HB3      LEU  75   6.316 -22.057  -2.151
  569    HG   LEU  75           HG       LEU  75   5.046 -19.377  -2.771
  570   HD11  LEU  75          HD11      LEU  75   2.857 -20.505  -2.679
  571   HD12  LEU  75          HD12      LEU  75   3.831 -21.043  -4.050
  572   HD13  LEU  75          HD13      LEU  75   3.670 -22.090  -2.626
  573   HD21  LEU  75          HD21      LEU  75   5.689 -19.757  -0.421
  574   HD22  LEU  75          HD22      LEU  75   3.927 -19.784  -0.580
  575   HD23  LEU  75          HD23      LEU  75   4.807 -21.305  -0.419
  576    H    LYS  76           H        LYS  76   9.383 -21.649  -3.865
  577    HA   LYS  76           HA       LYS  76  10.228 -23.205  -1.582
  578    HB2  LYS  76           HB2      LYS  76  11.536 -22.805  -4.307
  579    HB3  LYS  76           HB3      LYS  76  11.972 -24.056  -3.133
  580    HG2  LYS  76           HG2      LYS  76   9.649 -24.975  -3.257
  581    HG3  LYS  76           HG3      LYS  76   9.255 -23.793  -4.504
  582    HD2  LYS  76           HD2      LYS  76  11.262 -26.064  -4.714
  583    HD3  LYS  76           HD3      LYS  76   9.699 -25.906  -5.532
  584    HE2  LYS  76           HE2      LYS  76  10.673 -23.729  -6.567
  585    HE3  LYS  76           HE3      LYS  76  12.249 -24.319  -6.006
  586    HZ1  LYS  76           HZ1      LYS  76  10.429 -25.542  -7.971
  587    HZ2  LYS  76           HZ2      LYS  76  11.973 -25.070  -8.213
  588    HZ3  LYS  76           HZ3      LYS  76  11.682 -26.402  -7.317
  589    H    ASP  77           H        ASP  77  11.003 -20.000  -2.549
  590    HA   ASP  77           HA       ASP  77  13.473 -20.013  -0.855
  591    HB2  ASP  77           HB2      ASP  77  13.951 -19.887  -3.274
  592    HB3  ASP  77           HB3      ASP  77  12.892 -18.483  -3.416
  593    H    ILE  78           H        ILE  78  10.342 -18.665  -1.352
  594    HA   ILE  78           HA       ILE  78  10.715 -16.016  -0.548
  595    HB   ILE  78           HB       ILE  78   8.428 -17.930  -0.727
  596   HG12  ILE  78          HG12      ILE  78   8.894 -15.074  -1.698
  597   HG13  ILE  78          HG13      ILE  78   9.353 -16.518  -2.588
  598   HG21  ILE  78          HG21      ILE  78   8.087 -15.279   0.722
  599   HG22  ILE  78          HG22      ILE  78   6.773 -16.324   0.143
  600   HG23  ILE  78          HG23      ILE  78   7.834 -16.915   1.396
  601   HD11  ILE  78          HD11      ILE  78   7.331 -15.658  -3.490
  602   HD12  ILE  78          HD12      ILE  78   6.942 -17.197  -2.695
  603   HD13  ILE  78          HD13      ILE  78   6.514 -15.642  -1.935
  604    H    ALA  79           H        ALA  79  10.349 -18.847   1.531
  605    HA   ALA  79           HA       ALA  79  10.302 -19.112   3.781
  606    HB1  ALA  79           HB1      ALA  79  12.569 -17.095   3.629
  607    HB2  ALA  79           HB2      ALA  79  12.276 -18.259   4.939
  608    HB3  ALA  79           HB3      ALA  79  12.694 -18.841   3.317
  609    H    MET  80           H        MET  80   8.127 -17.844   3.407
  610    HA   MET  80           HA       MET  80   7.868 -15.902   5.621
  611    HB2  MET  80           HB2      MET  80   6.584 -15.661   2.860
  612    HB3  MET  80           HB3      MET  80   6.019 -14.783   4.255
  613    HG2  MET  80           HG2      MET  80   8.845 -14.549   3.182
  614    HG3  MET  80           HG3      MET  80   7.527 -13.486   2.717
  615    HE1  MET  80           HE1      MET  80   6.847 -11.282   5.789
  616    HE2  MET  80           HE2      MET  80   6.598 -11.537   4.048
  617    HE3  MET  80           HE3      MET  80   5.907 -12.678   5.225
  618    HA   PRO  81           HA       PRO  81   4.624 -18.614   6.983
  619    HB2  PRO  81           HB2      PRO  81   2.768 -16.225   6.806
  620    HB3  PRO  81           HB3      PRO  81   2.899 -17.452   8.106
  621    HG2  PRO  81           HG2      PRO  81   4.094 -15.045   8.404
  622    HG3  PRO  81           HG3      PRO  81   4.988 -16.536   8.849
  623    HD2  PRO  81           HD2      PRO  81   5.219 -14.878   6.336
  624    HD3  PRO  81           HD3      PRO  81   6.514 -15.620   7.324
  625    H    LYS  82           H        LYS  82   3.476 -20.103   5.864
  626    HA   LYS  82           HA       LYS  82   1.969 -19.346   3.434
  627    HB2  LYS  82           HB2      LYS  82   3.023 -21.195   2.260
  628    HB3  LYS  82           HB3      LYS  82   4.218 -20.028   2.851
  629    HG2  LYS  82           HG2      LYS  82   4.878 -21.533   4.663
  630    HG3  LYS  82           HG3      LYS  82   3.587 -22.671   4.233
  631    HD2  LYS  82           HD2      LYS  82   5.762 -23.441   3.428
  632    HD3  LYS  82           HD3      LYS  82   4.621 -23.155   2.114
  633    HE2  LYS  82           HE2      LYS  82   5.735 -20.960   1.642
  634    HE3  LYS  82           HE3      LYS  82   6.895 -21.284   2.936
  635    HZ1  LYS  82           HZ1      LYS  82   6.522 -23.026   0.553
  636    HZ2  LYS  82           HZ2      LYS  82   7.717 -21.902   0.679
  637    HZ3  LYS  82           HZ3      LYS  82   7.689 -23.186   1.696
  638    H    VAL  83           H        VAL  83   0.563 -21.118   2.687
  639    HA   VAL  83           HA       VAL  83  -0.610 -22.738   4.858
  640    HB   VAL  83           HB       VAL  83  -2.785 -21.998   3.846
  641   HG11  VAL  83          HG11      VAL  83  -1.977 -21.067   5.979
  642   HG12  VAL  83          HG12      VAL  83  -1.150 -19.766   5.101
  643   HG13  VAL  83          HG13      VAL  83  -2.921 -19.881   5.066
  644   HG21  VAL  83          HG21      VAL  83  -1.244 -19.737   2.538
  645   HG22  VAL  83          HG22      VAL  83  -1.978 -21.116   1.689
  646   HG23  VAL  83          HG23      VAL  83  -2.999 -19.971   2.568
  647    H    LYS  84           H        LYS  84  -2.092 -24.433   3.840
  648    HA   LYS  84           HA       LYS  84  -0.816 -25.518   1.366
  649    HB2  LYS  84           HB2      LYS  84  -1.415 -26.953   3.987
  650    HB3  LYS  84           HB3      LYS  84  -0.830 -27.731   2.530
  651    HG2  LYS  84           HG2      LYS  84   0.710 -25.628   4.135
  652    HG3  LYS  84           HG3      LYS  84   0.914 -27.365   4.274
  653    HD2  LYS  84           HD2      LYS  84   1.519 -25.704   1.801
  654    HD3  LYS  84           HD3      LYS  84   2.685 -26.359   2.956
  655    HE2  LYS  84           HE2      LYS  84   1.522 -28.678   2.320
  656    HE3  LYS  84           HE3      LYS  84   1.030 -27.791   0.871
  657    HZ1  LYS  84           HZ1      LYS  84   3.089 -28.836   0.406
  658    HZ2  LYS  84           HZ2      LYS  84   3.492 -27.252   0.622
  659    HZ3  LYS  84           HZ3      LYS  84   3.781 -28.346   1.796
  660    H    GLY  85           H        GLY  85  -2.071 -27.090   0.266
  661    HA2  GLY  85           HA2      GLY  85  -3.982 -27.852  -0.743
  662    HA3  GLY  85           HA3      GLY  85  -4.721 -27.910   0.867
  Start of MODEL   21
    1    H1   ALA   1           H1       ALA   1   1.291  -0.207   1.581
    2    H2   ALA   1           H2       ALA   1  -0.184   0.499   1.456
    3    H3   ALA   1           H3       ALA   1  -0.057  -1.130   1.518
    4    HA   ALA   1           HA       ALA   1  -0.512  -0.435  -0.740
    5    HB1  ALA   1           HB1      ALA   1   2.077   1.148  -0.468
    6    HB2  ALA   1           HB2      ALA   1   1.102   0.960  -1.938
    7    HB3  ALA   1           HB3      ALA   1   0.435   1.826  -0.550
    8    H    GLU   2           H        GLU   2  -0.129  -2.890  -0.111
    9    HA   GLU   2           HA       GLU   2   1.899  -3.842  -1.912
   10    HB2  GLU   2           HB2      GLU   2   3.179  -3.667   0.239
   11    HB3  GLU   2           HB3      GLU   2   1.955  -4.651   1.043
   12    HG2  GLU   2           HG2      GLU   2   2.545  -6.557  -0.488
   13    HG3  GLU   2           HG3      GLU   2   3.813  -5.552  -1.195
   14    H    HIS   3           H        HIS   3   1.301  -5.923  -2.646
   15    HA   HIS   3           HA       HIS   3  -0.772  -7.499  -1.296
   16    HB2  HIS   3           HB2      HIS   3  -0.965  -6.701  -4.240
   17    HB3  HIS   3           HB3      HIS   3  -1.930  -7.947  -3.456
   18    HD1  HIS   3           HD1      HIS   3  -3.544  -6.866  -1.294
   19    HD2  HIS   3           HD2      HIS   3  -2.181  -4.444  -4.454
   20    HE1  HIS   3           HE1      HIS   3  -5.088  -4.846  -1.360
   21    H    TRP   4           H        TRP   4  -0.754  -9.756  -2.365
   22    HA   TRP   4           HA       TRP   4   1.852 -10.370  -3.679
   23    HB2  TRP   4           HB2      TRP   4   0.505 -11.807  -1.367
   24    HB3  TRP   4           HB3      TRP   4   1.730 -12.546  -2.385
   25    HD1  TRP   4           HD1      TRP   4   1.422  -9.451  -0.076
   26    HE1  TRP   4           HE1      TRP   4   3.675  -8.943   0.987
   27    HE3  TRP   4           HE3      TRP   4   4.205 -13.139  -2.334
   28    HZ2  TRP   4           HZ2      TRP   4   6.327 -10.141   1.037
   29    HZ3  TRP   4           HZ3      TRP   4   6.573 -13.440  -1.718
   30    HH2  TRP   4           HH2      TRP   4   7.658 -11.941  -0.062
   31    H    ILE   5           H        ILE   5   1.314 -10.924  -5.696
   32    HA   ILE   5           HA       ILE   5  -1.193 -12.487  -6.098
   33    HB   ILE   5           HB       ILE   5   0.201 -10.509  -7.920
   34   HG12  ILE   5          HG12      ILE   5  -2.026  -9.496  -8.104
   35   HG13  ILE   5          HG13      ILE   5  -2.736 -10.725  -7.069
   36   HG21  ILE   5          HG21      ILE   5  -1.472 -11.175  -9.638
   37   HG22  ILE   5          HG22      ILE   5  -0.393 -12.514  -9.254
   38   HG23  ILE   5          HG23      ILE   5  -2.032 -12.492  -8.580
   39   HD11  ILE   5          HD11      ILE   5  -2.338  -8.403  -6.082
   40   HD12  ILE   5          HD12      ILE   5  -1.799  -9.779  -5.120
   41   HD13  ILE   5          HD13      ILE   5  -0.611  -8.821  -6.032
   42    H    ASP   6           H        ASP   6  -0.857 -14.480  -6.412
   43    HA   ASP   6           HA       ASP   6   1.718 -15.717  -7.083
   44    HB2  ASP   6           HB2      ASP   6   0.221 -16.695  -5.393
   45    HB3  ASP   6           HB3      ASP   6  -1.097 -16.738  -6.517
   46    H    VAL   7           H        VAL   7   2.208 -15.304  -9.238
   47    HA   VAL   7           HA       VAL   7   0.102 -15.072 -11.243
   48    HB   VAL   7           HB       VAL   7   1.780 -14.363 -12.756
   49   HG11  VAL   7          HG11      VAL   7   2.612 -12.377 -11.634
   50   HG12  VAL   7          HG12      VAL   7   0.981 -12.732 -11.074
   51   HG13  VAL   7          HG13      VAL   7   2.375 -13.109 -10.043
   52   HG21  VAL   7          HG21      VAL   7   3.964 -14.915 -10.713
   53   HG22  VAL   7          HG22      VAL   7   3.635 -15.942 -12.125
   54   HG23  VAL   7          HG23      VAL   7   4.141 -14.269 -12.341
   55    H    ARG   8           H        ARG   8   1.428 -17.649  -9.860
   56    HA   ARG   8           HA       ARG   8   2.251 -19.462 -11.903
   57    HB2  ARG   8           HB2      ARG   8   2.575 -19.388  -9.357
   58    HB3  ARG   8           HB3      ARG   8   0.879 -19.905  -9.240
   59    HG2  ARG   8           HG2      ARG   8   1.448 -22.090 -10.062
   60    HG3  ARG   8           HG3      ARG   8   3.106 -21.567 -10.439
   61    HD2  ARG   8           HD2      ARG   8   2.699 -22.895  -8.241
   62    HD3  ARG   8           HD3      ARG   8   3.738 -21.478  -8.181
   63    HE   ARG   8           HE       ARG   8   1.567 -20.255  -7.448
   64   HH11  ARG   8          HH11      ARG   8   2.779 -23.391  -6.184
   65   HH12  ARG   8          HH12      ARG   8   1.807 -23.245  -4.741
   66   HH21  ARG   8          HH21      ARG   8   0.270 -20.249  -5.683
   67   HH22  ARG   8          HH22      ARG   8   0.519 -21.433  -4.379
   68    H    VAL   9           H        VAL   9   1.021 -21.516 -12.389
   69    HA   VAL   9           HA       VAL   9  -1.653 -21.086 -13.222
   70    HB   VAL   9           HB       VAL   9  -1.702 -23.580 -13.531
   71   HG11  VAL   9          HG11      VAL   9  -0.821 -22.072 -15.285
   72   HG12  VAL   9          HG12      VAL   9   0.818 -22.252 -14.622
   73   HG13  VAL   9          HG13      VAL   9  -0.029 -23.655 -15.299
   74   HG21  VAL   9          HG21      VAL   9   1.155 -23.561 -12.448
   75   HG22  VAL   9          HG22      VAL   9  -0.255 -24.272 -11.631
   76   HG23  VAL   9          HG23      VAL   9   0.295 -24.931 -13.175
   77    HA   PRO  10           HA       PRO  10  -3.777 -21.278  -9.496
   78    HB2  PRO  10           HB2      PRO  10  -6.297 -22.121 -10.143
   79    HB3  PRO  10           HB3      PRO  10  -5.602 -20.569 -10.722
   80    HG2  PRO  10           HG2      PRO  10  -5.678 -23.207 -12.208
   81    HG3  PRO  10           HG3      PRO  10  -6.209 -21.590 -12.783
   82    HD2  PRO  10           HD2      PRO  10  -3.746 -22.538 -13.379
   83    HD3  PRO  10           HD3      PRO  10  -3.980 -20.816 -12.953
   84    H    GLU  11           H        GLU  11  -3.548 -24.368 -11.198
   85    HA   GLU  11           HA       GLU  11  -4.710 -26.048  -9.261
   86    HB2  GLU  11           HB2      GLU  11  -4.138 -26.627 -11.611
   87    HB3  GLU  11           HB3      GLU  11  -2.421 -26.637 -11.188
   88    HG2  GLU  11           HG2      GLU  11  -2.797 -28.514  -9.630
   89    HG3  GLU  11           HG3      GLU  11  -4.537 -28.436  -9.919
   90    H    GLN  12           H        GLN  12  -1.474 -24.555  -9.334
   91    HA   GLN  12           HA       GLN  12  -0.470 -26.314  -7.203
   92    HB2  GLN  12           HB2      GLN  12   0.706 -23.885  -8.577
   93    HB3  GLN  12           HB3      GLN  12   1.516 -24.843  -7.317
   94    HG2  GLN  12           HG2      GLN  12   1.356 -26.870  -8.746
   95    HG3  GLN  12           HG3      GLN  12   0.617 -25.904 -10.023
   96   HE21  GLN  12          HE22      GLN  12   2.260 -25.986 -11.608
   97   HE22  GLN  12          HE21      GLN  12   3.882 -25.405 -11.335
   98    H    TYR  13           H        TYR  13  -1.958 -23.085  -7.427
   99    HA   TYR  13           HA       TYR  13  -1.466 -22.246  -4.749
  100    HB2  TYR  13           HB2      TYR  13  -2.462 -20.841  -6.537
  101    HB3  TYR  13           HB3      TYR  13  -3.930 -21.792  -6.465
  102    HD1  TYR  13           HD2      TYR  13  -5.489 -21.622  -4.546
  103    HD2  TYR  13           HD1      TYR  13  -1.953 -19.163  -4.808
  104    HE1  TYR  13           HE2      TYR  13  -6.468 -20.053  -2.912
  105    HE2  TYR  13           HE1      TYR  13  -2.933 -17.574  -3.186
  106    HH   TYR  13           HH       TYR  13  -6.190 -18.059  -1.741
  107    H    GLN  14           H        GLN  14  -3.714 -24.683  -6.051
  108    HA   GLN  14           HA       GLN  14  -5.195 -25.000  -3.596
  109    HB2  GLN  14           HB2      GLN  14  -4.875 -27.163  -5.694
  110    HB3  GLN  14           HB3      GLN  14  -6.231 -26.864  -4.617
  111    HG2  GLN  14           HG2      GLN  14  -5.449 -25.373  -7.117
  112    HG3  GLN  14           HG3      GLN  14  -6.909 -26.289  -6.823
  113   HE21  GLN  14          HE22      GLN  14  -5.873 -23.212  -7.230
  114   HE22  GLN  14          HE21      GLN  14  -7.090 -22.363  -6.289
  115    H    GLN  15           H        GLN  15  -1.971 -25.514  -3.935
  116    HA   GLN  15           HA       GLN  15  -1.928 -27.992  -2.282
  117    HB2  GLN  15           HB2      GLN  15  -0.028 -27.198  -4.524
  118    HB3  GLN  15           HB3      GLN  15   0.158 -28.593  -3.460
  119    HG2  GLN  15           HG2      GLN  15  -1.882 -29.616  -4.321
  120    HG3  GLN  15           HG3      GLN  15  -2.279 -28.178  -5.254
  121   HE21  GLN  15          HE22      GLN  15  -1.821 -28.272  -7.383
  122   HE22  GLN  15          HE21      GLN  15  -0.578 -29.285  -8.103
  123    H    GLU  16           H        GLU  16  -0.167 -24.970  -3.164
  124    HA   GLU  16           HA       GLU  16   0.054 -24.381  -0.350
  125    HB2  GLU  16           HB2      GLU  16   2.085 -25.842  -0.738
  126    HB3  GLU  16           HB3      GLU  16   2.674 -24.636  -1.893
  127    HG2  GLU  16           HG2      GLU  16   2.765 -22.952  -0.073
  128    HG3  GLU  16           HG3      GLU  16   2.040 -24.108   1.042
  129    H    HIS  17           H        HIS  17   0.319 -22.131  -0.023
  130    HA   HIS  17           HA       HIS  17   1.290 -20.419  -2.168
  131    HB2  HIS  17           HB2      HIS  17  -0.762 -18.960  -2.073
  132    HB3  HIS  17           HB3      HIS  17  -0.961 -20.497  -2.894
  133    HD1  HIS  17           HD1      HIS  17  -2.772 -22.191  -1.877
  134    HD2  HIS  17           HD2      HIS  17  -2.219 -18.555   0.168
  135    HE1  HIS  17           HE1      HIS  17  -4.692 -21.994  -0.238
  136    H    VAL  18           H        VAL  18   1.589 -18.191  -1.370
  137    HA   VAL  18           HA       VAL  18   2.502 -18.019   1.365
  138    HB   VAL  18           HB       VAL  18   1.978 -15.894  -0.768
  139   HG11  VAL  18          HG11      VAL  18   3.481 -14.443   0.653
  140   HG12  VAL  18          HG12      VAL  18   1.899 -14.758   1.360
  141   HG13  VAL  18          HG13      VAL  18   3.313 -15.650   1.952
  142   HG21  VAL  18          HG21      VAL  18   4.560 -17.215   0.180
  143   HG22  VAL  18          HG22      VAL  18   3.780 -17.405  -1.406
  144   HG23  VAL  18          HG23      VAL  18   4.455 -15.848  -0.957
  145    H    GLN  19           H        GLN  19   1.424 -17.251   3.133
  146    HA   GLN  19           HA       GLN  19  -1.383 -17.369   3.298
  147    HB2  GLN  19           HB2      GLN  19   0.250 -17.608   5.168
  148    HB3  GLN  19           HB3      GLN  19   0.605 -15.880   5.074
  149    HG2  GLN  19           HG2      GLN  19  -1.738 -15.359   5.694
  150    HG3  GLN  19           HG3      GLN  19  -2.129 -17.082   5.707
  151   HE21  GLN  19          HE22      GLN  19  -0.137 -14.558   7.334
  152   HE22  GLN  19          HE21      GLN  19   0.036 -15.428   8.835
  153    H    GLY  20           H        GLY  20  -2.965 -15.984   2.709
  154    HA2  GLY  20           HA2      GLY  20  -4.113 -14.024   2.473
  155    HA3  GLY  20           HA3      GLY  20  -2.681 -13.117   2.970
  156    H    ALA  21           H        ALA  21  -1.828 -15.160   0.359
  157    HA   ALA  21           HA       ALA  21  -1.644 -12.964  -1.520
  158    HB1  ALA  21           HB1      ALA  21  -0.765 -14.717  -3.028
  159    HB2  ALA  21           HB2      ALA  21  -0.008 -14.810  -1.428
  160    HB3  ALA  21           HB3      ALA  21  -1.284 -15.971  -1.879
  161    H    ILE  22           H        ILE  22  -2.421 -13.463  -3.861
  162    HA   ILE  22           HA       ILE  22  -5.120 -14.719  -3.980
  163    HB   ILE  22           HB       ILE  22  -4.606 -12.724  -6.088
  164   HG12  ILE  22          HG12      ILE  22  -4.890 -11.562  -3.301
  165   HG13  ILE  22          HG13      ILE  22  -3.535 -11.370  -4.433
  166   HG21  ILE  22          HG21      ILE  22  -6.706 -13.967  -5.710
  167   HG22  ILE  22          HG22      ILE  22  -6.972 -13.026  -4.220
  168   HG23  ILE  22          HG23      ILE  22  -6.933 -12.230  -5.815
  169   HD11  ILE  22          HD11      ILE  22  -4.832  -9.359  -4.461
  170   HD12  ILE  22          HD12      ILE  22  -5.035 -10.182  -6.018
  171   HD13  ILE  22          HD13      ILE  22  -6.329 -10.243  -4.792
  172    H    ASN  23           H        ASN  23  -5.236 -16.203  -5.730
  173    HA   ASN  23           HA       ASN  23  -2.819 -16.353  -7.488
  174    HB2  ASN  23           HB2      ASN  23  -3.523 -18.546  -6.687
  175    HB3  ASN  23           HB3      ASN  23  -5.148 -18.296  -7.347
  176   HD21  ASN  23          HD22      ASN  23  -1.735 -19.026  -8.116
  177   HD22  ASN  23          HD21      ASN  23  -1.964 -19.143  -9.853
  178    H    ILE  24           H        ILE  24  -2.868 -15.414  -9.344
  179    HA   ILE  24           HA       ILE  24  -5.365 -15.240 -10.834
  180    HB   ILE  24           HB       ILE  24  -3.572 -12.793 -10.680
  181   HG12  ILE  24          HG12      ILE  24  -6.189 -13.048  -9.189
  182   HG13  ILE  24          HG13      ILE  24  -4.569 -12.939  -8.485
  183   HG21  ILE  24          HG21      ILE  24  -4.811 -13.205 -12.750
  184   HG22  ILE  24          HG22      ILE  24  -6.325 -13.275 -11.835
  185   HG23  ILE  24          HG23      ILE  24  -5.401 -11.751 -11.952
  186   HD11  ILE  24          HD11      ILE  24  -4.279 -10.676  -9.524
  187   HD12  ILE  24          HD12      ILE  24  -5.989 -10.731 -10.005
  188   HD13  ILE  24          HD13      ILE  24  -5.547 -10.787  -8.292
  189    HA   PRO  25           HA       PRO  25  -1.766 -17.071 -12.863
  190    HB2  PRO  25           HB2      PRO  25  -2.875 -17.990 -15.193
  191    HB3  PRO  25           HB3      PRO  25  -3.148 -18.768 -13.598
  192    HG2  PRO  25           HG2      PRO  25  -4.956 -16.805 -15.028
  193    HG3  PRO  25           HG3      PRO  25  -5.390 -18.365 -14.253
  194    HD2  PRO  25           HD2      PRO  25  -5.690 -15.958 -12.975
  195    HD3  PRO  25           HD3      PRO  25  -5.226 -17.442 -12.090
  196    H    LEU  26           H        LEU  26  -0.263 -16.343 -14.454
  197    HA   LEU  26           HA       LEU  26  -0.164 -13.656 -14.723
  198    HB2  LEU  26           HB2      LEU  26   1.737 -15.177 -14.941
  199    HB3  LEU  26           HB3      LEU  26   1.193 -15.681 -16.539
  200    HG   LEU  26           HG       LEU  26   1.671 -13.511 -17.487
  201   HD11  LEU  26          HD11      LEU  26   2.737 -11.698 -16.074
  202   HD12  LEU  26          HD12      LEU  26   1.027 -11.927 -15.777
  203   HD13  LEU  26          HD13      LEU  26   2.195 -12.597 -14.629
  204   HD21  LEU  26          HD21      LEU  26   3.570 -15.092 -17.150
  205   HD22  LEU  26          HD22      LEU  26   4.097 -13.404 -17.127
  206   HD23  LEU  26          HD23      LEU  26   3.949 -14.302 -15.603
  207    H    LYS  27           H        LYS  27  -1.505 -15.800 -17.272
  208    HA   LYS  27           HA       LYS  27  -1.811 -13.762 -19.208
  209    HB2  LYS  27           HB2      LYS  27  -3.352 -15.226 -20.351
  210    HB3  LYS  27           HB3      LYS  27  -1.933 -16.113 -19.804
  211    HG2  LYS  27           HG2      LYS  27  -3.230 -17.102 -17.947
  212    HG3  LYS  27           HG3      LYS  27  -4.656 -16.153 -18.414
  213    HD2  LYS  27           HD2      LYS  27  -4.675 -17.242 -20.633
  214    HD3  LYS  27           HD3      LYS  27  -3.287 -18.234 -20.186
  215    HE2  LYS  27           HE2      LYS  27  -5.953 -18.239 -18.689
  216    HE3  LYS  27           HE3      LYS  27  -5.592 -19.317 -20.037
  217    HZ1  LYS  27           HZ1      LYS  27  -4.091 -19.269 -17.485
  218    HZ2  LYS  27           HZ2      LYS  27  -5.163 -20.404 -17.951
  219    HZ3  LYS  27           HZ3      LYS  27  -3.762 -20.244 -18.760
  220    H    GLU  28           H        GLU  28  -3.781 -14.447 -16.347
  221    HA   GLU  28           HA       GLU  28  -5.916 -12.610 -17.218
  222    HB2  GLU  28           HB2      GLU  28  -5.455 -14.397 -14.853
  223    HB3  GLU  28           HB3      GLU  28  -6.257 -12.862 -14.527
  224    HG2  GLU  28           HG2      GLU  28  -7.966 -13.287 -16.183
  225    HG3  GLU  28           HG3      GLU  28  -7.182 -14.804 -16.665
  226    H    VAL  29           H        VAL  29  -3.130 -12.663 -14.967
  227    HA   VAL  29           HA       VAL  29  -3.563 -10.288 -13.634
  228    HB   VAL  29           HB       VAL  29  -0.979 -11.624 -14.487
  229   HG11  VAL  29          HG11      VAL  29   0.231 -10.357 -12.760
  230   HG12  VAL  29          HG12      VAL  29  -0.319  -9.303 -14.061
  231   HG13  VAL  29          HG13      VAL  29  -1.189  -9.324 -12.508
  232   HG21  VAL  29          HG21      VAL  29  -2.404 -11.384 -11.809
  233   HG22  VAL  29          HG22      VAL  29  -2.518 -12.778 -12.898
  234   HG23  VAL  29          HG23      VAL  29  -0.974 -12.380 -12.155
  235    H    LYS  30           H        LYS  30  -2.029 -10.576 -16.854
  236    HA   LYS  30           HA       LYS  30  -1.244  -7.884 -17.049
  237    HB2  LYS  30           HB2      LYS  30  -0.612  -9.973 -18.456
  238    HB3  LYS  30           HB3      LYS  30  -2.090  -9.681 -19.377
  239    HG2  LYS  30           HG2      LYS  30  -1.221  -7.430 -20.020
  240    HG3  LYS  30           HG3      LYS  30   0.225  -7.716 -19.032
  241    HD2  LYS  30           HD2      LYS  30   0.805  -9.656 -20.461
  242    HD3  LYS  30           HD3      LYS  30  -0.642  -9.389 -21.441
  243    HE2  LYS  30           HE2      LYS  30   1.637  -7.380 -21.096
  244    HE3  LYS  30           HE3      LYS  30   1.499  -8.512 -22.443
  245    HZ1  LYS  30           HZ1      LYS  30   0.632  -6.359 -23.044
  246    HZ2  LYS  30           HZ2      LYS  30  -0.582  -7.440 -23.066
  247    HZ3  LYS  30           HZ3      LYS  30  -0.456  -6.371 -21.832
  248    H    GLU  31           H        GLU  31  -4.485  -8.993 -17.072
  249    HA   GLU  31           HA       GLU  31  -5.289  -6.236 -17.908
  250    HB2  GLU  31           HB2      GLU  31  -6.820  -8.830 -18.351
  251    HB3  GLU  31           HB3      GLU  31  -7.487  -7.206 -18.566
  252    HG2  GLU  31           HG2      GLU  31  -5.732  -6.730 -20.283
  253    HG3  GLU  31           HG3      GLU  31  -5.152  -8.391 -20.131
  254    H    ARG  32           H        ARG  32  -5.910  -9.057 -15.823
  255    HA   ARG  32           HA       ARG  32  -8.008  -7.845 -14.374
  256    HB2  ARG  32           HB2      ARG  32  -7.734 -10.261 -14.592
  257    HB3  ARG  32           HB3      ARG  32  -6.254 -10.218 -13.614
  258    HG2  ARG  32           HG2      ARG  32  -7.431  -9.601 -11.651
  259    HG3  ARG  32           HG3      ARG  32  -8.897  -9.147 -12.543
  260    HD2  ARG  32           HD2      ARG  32  -9.462 -11.420 -13.001
  261    HD3  ARG  32           HD3      ARG  32  -7.844 -11.983 -12.584
  262    HE   ARG  32           HE       ARG  32  -9.259 -10.680 -10.391
  263   HH11  ARG  32          HH11      ARG  32  -8.806 -13.821 -12.041
  264   HH12  ARG  32          HH12      ARG  32  -9.113 -14.743 -10.606
  265   HH21  ARG  32          HH21      ARG  32  -9.681 -11.935  -8.516
  266   HH22  ARG  32          HH22      ARG  32  -9.642 -13.653  -8.583
  267    H    ILE  33           H        ILE  33  -4.479  -7.670 -13.822
  268    HA   ILE  33           HA       ILE  33  -4.735  -6.927 -11.089
  269    HB   ILE  33           HB       ILE  33  -2.561  -7.525 -12.237
  270   HG12  ILE  33          HG12      ILE  33  -1.184  -5.820 -10.868
  271   HG13  ILE  33          HG13      ILE  33  -2.702  -5.093 -10.379
  272   HG21  ILE  33          HG21      ILE  33  -2.497  -4.599 -13.058
  273   HG22  ILE  33          HG22      ILE  33  -1.216  -5.786 -13.238
  274   HG23  ILE  33          HG23      ILE  33  -2.709  -5.953 -14.173
  275   HD11  ILE  33          HD11      ILE  33  -1.876  -8.000  -9.953
  276   HD12  ILE  33          HD12      ILE  33  -1.885  -6.720  -8.726
  277   HD13  ILE  33          HD13      ILE  33  -3.414  -7.290  -9.410
  278    H    ALA  34           H        ALA  34  -5.126  -5.059 -14.104
  279    HA   ALA  34           HA       ALA  34  -5.183  -2.497 -12.940
  280    HB1  ALA  34           HB1      ALA  34  -6.824  -3.499 -15.308
  281    HB2  ALA  34           HB2      ALA  34  -6.373  -1.816 -14.976
  282    HB3  ALA  34           HB3      ALA  34  -5.115  -2.998 -15.402
  283    H    THR  35           H        THR  35  -7.566  -5.028 -12.635
  284    HA   THR  35           HA       THR  35  -9.607  -3.105 -11.636
  285    HB   THR  35           HB       THR  35  -9.817  -6.091 -12.197
  286    HG1  THR  35           HG1      THR  35  -9.410  -4.846 -14.078
  287   HG21  THR  35          HG21      THR  35 -11.967  -3.966 -11.756
  288   HG22  THR  35          HG22      THR  35 -12.264  -5.647 -12.260
  289   HG23  THR  35          HG23      THR  35 -11.578  -5.315 -10.666
  290    H    ALA  36           H        ALA  36  -7.450  -5.764 -10.678
  291    HA   ALA  36           HA       ALA  36  -8.607  -6.062  -8.031
  292    HB1  ALA  36           HB1      ALA  36  -5.932  -7.022  -9.143
  293    HB2  ALA  36           HB2      ALA  36  -6.705  -7.576  -7.646
  294    HB3  ALA  36           HB3      ALA  36  -7.467  -7.920  -9.212
  295    H    VAL  37           H        VAL  37  -5.891  -4.269  -9.404
  296    HA   VAL  37           HA       VAL  37  -5.419  -2.790  -6.899
  297    HB   VAL  37           HB       VAL  37  -3.129  -4.009  -8.490
  298   HG11  VAL  37          HG11      VAL  37  -2.623  -1.984  -7.192
  299   HG12  VAL  37          HG12      VAL  37  -3.310  -2.727  -5.731
  300   HG13  VAL  37          HG13      VAL  37  -1.846  -3.396  -6.485
  301   HG21  VAL  37          HG21      VAL  37  -4.227  -5.934  -7.565
  302   HG22  VAL  37          HG22      VAL  37  -2.776  -5.597  -6.636
  303   HG23  VAL  37          HG23      VAL  37  -4.366  -5.153  -5.969
  304    HA   PRO  38           HA       PRO  38  -5.684  -0.334 -10.855
  305    HB2  PRO  38           HB2      PRO  38  -7.250   1.731  -9.909
  306    HB3  PRO  38           HB3      PRO  38  -7.902   0.193 -10.546
  307    HG2  PRO  38           HG2      PRO  38  -7.422   0.958  -7.655
  308    HG3  PRO  38           HG3      PRO  38  -8.877   0.198  -8.375
  309    HD2  PRO  38           HD2      PRO  38  -6.973  -1.271  -7.102
  310    HD3  PRO  38           HD3      PRO  38  -7.798  -1.900  -8.560
  311    H    ASP  39           H        ASP  39  -4.709   0.418  -7.544
  312    HA   ASP  39           HA       ASP  39  -3.328   2.897  -8.172
  313    HB2  ASP  39           HB2      ASP  39  -4.064   2.491  -5.904
  314    HB3  ASP  39           HB3      ASP  39  -3.116   1.002  -5.811
  315    H    LYS  40           H        LYS  40  -1.906   2.629  -9.849
  316    HA   LYS  40           HA       LYS  40  -0.197   0.402 -10.230
  317    HB2  LYS  40           HB2      LYS  40  -0.082   3.278 -11.233
  318    HB3  LYS  40           HB3      LYS  40   1.083   2.055 -11.716
  319    HG2  LYS  40           HG2      LYS  40  -0.910   0.581 -12.397
  320    HG3  LYS  40           HG3      LYS  40  -1.916   2.026 -12.215
  321    HD2  LYS  40           HD2      LYS  40  -0.494   3.193 -13.907
  322    HD3  LYS  40           HD3      LYS  40   0.489   1.718 -14.067
  323    HE2  LYS  40           HE2      LYS  40  -1.575   0.456 -14.729
  324    HE3  LYS  40           HE3      LYS  40  -2.486   1.970 -14.681
  325    HZ1  LYS  40           HZ1      LYS  40  -0.214   1.363 -16.497
  326    HZ2  LYS  40           HZ2      LYS  40  -1.787   1.476 -16.919
  327    HZ3  LYS  40           HZ3      LYS  40  -0.993   2.811 -16.430
  328    H    ASN  41           H        ASN  41   0.083   2.802  -7.769
  329    HA   ASN  41           HA       ASN  41   3.016   2.412  -7.555
  330    HB2  ASN  41           HB2      ASN  41   1.666   4.703  -7.351
  331    HB3  ASN  41           HB3      ASN  41   1.422   4.160  -5.694
  332   HD21  ASN  41          HD22      ASN  41   3.744   3.223  -4.754
  333   HD22  ASN  41          HD21      ASN  41   5.048   4.382  -4.960
  334    H    ASP  42           H        ASP  42   0.373   0.602  -6.683
  335    HA   ASP  42           HA       ASP  42   1.075  -0.028  -3.916
  336    HB2  ASP  42           HB2      ASP  42  -1.126  -0.612  -5.131
  337    HB3  ASP  42           HB3      ASP  42  -0.172  -1.902  -5.914
  338    H    THR  43           H        THR  43   2.474  -1.738  -3.239
  339    HA   THR  43           HA       THR  43   4.274  -2.797  -5.291
  340    HB   THR  43           HB       THR  43   4.367  -2.980  -2.270
  341    HG1  THR  43           HG1      THR  43   5.947  -1.792  -4.303
  342   HG21  THR  43          HG21      THR  43   5.301  -5.013  -3.037
  343   HG22  THR  43          HG22      THR  43   6.040  -4.265  -4.462
  344   HG23  THR  43          HG23      THR  43   6.702  -3.950  -2.828
  345    H    VAL  44           H        VAL  44   2.827  -3.841  -6.503
  346    HA   VAL  44           HA       VAL  44   1.492  -6.257  -5.553
  347    HB   VAL  44           HB       VAL  44   2.287  -5.333  -8.348
  348   HG11  VAL  44          HG11      VAL  44   1.920  -7.808  -8.223
  349   HG12  VAL  44          HG12      VAL  44   0.300  -7.502  -7.569
  350   HG13  VAL  44          HG13      VAL  44   0.715  -6.980  -9.213
  351   HG21  VAL  44          HG21      VAL  44  -0.114  -4.755  -8.607
  352   HG22  VAL  44          HG22      VAL  44  -0.371  -5.150  -6.891
  353   HG23  VAL  44          HG23      VAL  44   0.668  -3.786  -7.357
  354    H    LYS  45           H        LYS  45   2.963  -7.511  -4.436
  355    HA   LYS  45           HA       LYS  45   5.615  -8.192  -5.468
  356    HB2  LYS  45           HB2      LYS  45   3.803  -9.589  -3.450
  357    HB3  LYS  45           HB3      LYS  45   5.455 -10.044  -3.771
  358    HG2  LYS  45           HG2      LYS  45   4.946  -7.200  -2.925
  359    HG3  LYS  45           HG3      LYS  45   4.666  -8.458  -1.740
  360    HD2  LYS  45           HD2      LYS  45   7.003  -9.314  -2.144
  361    HD3  LYS  45           HD3      LYS  45   7.288  -7.889  -3.175
  362    HE2  LYS  45           HE2      LYS  45   6.706  -6.404  -1.268
  363    HE3  LYS  45           HE3      LYS  45   6.339  -7.814  -0.268
  364    HZ1  LYS  45           HZ1      LYS  45   8.513  -7.001   0.241
  365    HZ2  LYS  45           HZ2      LYS  45   8.706  -8.449  -0.489
  366    HZ3  LYS  45           HZ3      LYS  45   9.006  -7.051  -1.311
  367    H    VAL  46           H        VAL  46   6.024  -9.966  -6.793
  368    HA   VAL  46           HA       VAL  46   3.683 -11.606  -7.655
  369    HB   VAL  46           HB       VAL  46   4.696 -11.673  -9.921
  370   HG11  VAL  46          HG11      VAL  46   3.894  -8.875  -9.016
  371   HG12  VAL  46          HG12      VAL  46   3.765  -9.547 -10.652
  372   HG13  VAL  46          HG13      VAL  46   2.764 -10.207  -9.349
  373   HG21  VAL  46          HG21      VAL  46   6.375  -9.291  -8.998
  374   HG22  VAL  46          HG22      VAL  46   7.001 -10.903  -9.424
  375   HG23  VAL  46          HG23      VAL  46   6.220  -9.904 -10.653
  376    H    TYR  47           H        TYR  47   3.981 -13.767  -7.644
  377    HA   TYR  47           HA       TYR  47   6.688 -14.856  -7.598
  378    HB2  TYR  47           HB2      TYR  47   6.533 -16.067  -5.649
  379    HB3  TYR  47           HB3      TYR  47   6.040 -14.447  -5.189
  380    HD1  TYR  47           HD2      TYR  47   3.621 -13.949  -4.708
  381    HD2  TYR  47           HD1      TYR  47   5.076 -17.953  -5.393
  382    HE1  TYR  47           HE2      TYR  47   1.647 -14.864  -3.532
  383    HE2  TYR  47           HE1      TYR  47   3.077 -18.876  -4.260
  384    HH   TYR  47           HH       TYR  47   0.509 -16.800  -2.893
  385    H    CYS  48           H        CYS  48   6.579 -17.303  -7.807
  386    HA   CYS  48           HA       CYS  48   4.164 -18.527  -8.628
  387    HB2  CYS  48           HB2      CYS  48   4.840 -19.174 -10.892
  388    HB3  CYS  48           HB3      CYS  48   4.886 -17.414 -10.767
  389    HG   CYS  48           HG       CYS  48   7.411 -17.226 -10.253
  390    H    ASN  49           H        ASN  49   5.756 -20.794  -9.888
  391    HA   ASN  49           HA       ASN  49   6.261 -22.157  -7.410
  392    HB2  ASN  49           HB2      ASN  49   5.510 -23.278  -9.501
  393    HB3  ASN  49           HB3      ASN  49   7.069 -22.942 -10.250
  394   HD21  ASN  49          HD22      ASN  49   5.307 -25.184  -8.332
  395   HD22  ASN  49          HD21      ASN  49   6.663 -26.163  -7.806
  396    H    ALA  50           H        ALA  50   8.515 -20.971  -9.959
  397    HA   ALA  50           HA       ALA  50  10.770 -21.317  -8.028
  398    HB1  ALA  50           HB1      ALA  50  10.589 -23.176  -9.643
  399    HB2  ALA  50           HB2      ALA  50  10.695 -22.018 -10.990
  400    HB3  ALA  50           HB3      ALA  50  12.071 -22.237  -9.888
  401    H    GLY  51           H        GLY  51   9.248 -18.971 -10.008
  402    HA2  GLY  51           HA2      GLY  51  10.051 -16.750  -9.446
  403    HA3  GLY  51           HA3      GLY  51  11.695 -17.267  -9.769
  404    H    ARG  52           H        ARG  52  10.792 -18.748 -12.299
  405    HA   ARG  52           HA       ARG  52  11.509 -16.630 -14.002
  406    HB2  ARG  52           HB2      ARG  52  11.146 -18.136 -15.873
  407    HB3  ARG  52           HB3      ARG  52  12.014 -18.911 -14.557
  408    HG2  ARG  52           HG2      ARG  52   9.864 -20.070 -13.878
  409    HG3  ARG  52           HG3      ARG  52   9.074 -19.320 -15.273
  410    HD2  ARG  52           HD2      ARG  52   9.661 -21.554 -15.876
  411    HD3  ARG  52           HD3      ARG  52  10.694 -20.440 -16.788
  412    HE   ARG  52           HE       ARG  52  12.007 -21.227 -14.371
  413   HH11  ARG  52          HH11      ARG  52  11.095 -22.579 -17.522
  414   HH12  ARG  52          HH12      ARG  52  12.372 -23.736 -17.558
  415   HH21  ARG  52          HH21      ARG  52  13.720 -22.764 -14.418
  416   HH22  ARG  52          HH22      ARG  52  13.894 -23.841 -15.749
  417    H    GLN  53           H        GLN  53   8.205 -17.952 -13.451
  418    HA   GLN  53           HA       GLN  53   7.065 -16.138 -15.388
  419    HB2  GLN  53           HB2      GLN  53   6.156 -18.406 -14.527
  420    HB3  GLN  53           HB3      GLN  53   5.485 -17.478 -13.176
  421    HG2  GLN  53           HG2      GLN  53   3.995 -16.316 -14.550
  422    HG3  GLN  53           HG3      GLN  53   4.939 -16.631 -16.013
  423   HE21  GLN  53          HE22      GLN  53   2.193 -17.758 -14.164
  424   HE22  GLN  53          HE21      GLN  53   1.982 -19.229 -15.077
  425    H    SER  54           H        SER  54   7.779 -15.961 -11.878
  426    HA   SER  54           HA       SER  54   6.366 -13.597 -11.270
  427    HB2  SER  54           HB2      SER  54   9.113 -14.110 -10.143
  428    HB3  SER  54           HB3      SER  54   7.654 -13.548  -9.335
  429    HG   SER  54           HG       SER  54   8.269 -15.687  -8.796
  430    H    GLY  55           H        GLY  55   9.687 -14.108 -12.620
  431    HA2  GLY  55           HA2      GLY  55  10.432 -11.345 -12.617
  432    HA3  GLY  55           HA3      GLY  55  11.159 -12.644 -13.597
  433    H    GLN  56           H        GLN  56   9.055 -13.459 -15.204
  434    HA   GLN  56           HA       GLN  56   8.847 -11.369 -17.138
  435    HB2  GLN  56           HB2      GLN  56   7.405 -14.015 -16.732
  436    HB3  GLN  56           HB3      GLN  56   6.943 -12.915 -18.035
  437    HG2  GLN  56           HG2      GLN  56   9.744 -14.065 -17.647
  438    HG3  GLN  56           HG3      GLN  56   8.549 -14.644 -18.805
  439   HE21  GLN  56          HE21      GLN  56  11.016 -12.240 -18.231
  440   HE22  GLN  56          HE22      GLN  56  10.633 -11.147 -19.542
  441    H    ALA  57           H        ALA  57   6.474 -12.434 -14.616
  442    HA   ALA  57           HA       ALA  57   4.493 -10.560 -15.338
  443    HB1  ALA  57           HB1      ALA  57   5.190 -11.524 -12.525
  444    HB2  ALA  57           HB2      ALA  57   3.643 -10.852 -13.078
  445    HB3  ALA  57           HB3      ALA  57   4.209 -12.423 -13.694
  446    H    LYS  58           H        LYS  58   7.293 -10.166 -13.102
  447    HA   LYS  58           HA       LYS  58   6.609  -7.567 -12.258
  448    HB2  LYS  58           HB2      LYS  58   8.555  -9.343 -11.595
  449    HB3  LYS  58           HB3      LYS  58   9.525  -8.189 -12.492
  450    HG2  LYS  58           HG2      LYS  58   7.593  -7.460 -10.235
  451    HG3  LYS  58           HG3      LYS  58   9.267  -7.856  -9.972
  452    HD2  LYS  58           HD2      LYS  58   8.179  -5.501 -11.443
  453    HD3  LYS  58           HD3      LYS  58   9.053  -5.554  -9.877
  454    HE2  LYS  58           HE2      LYS  58  11.110  -6.117 -10.986
  455    HE3  LYS  58           HE3      LYS  58  10.288  -6.220 -12.562
  456    HZ1  LYS  58           HZ1      LYS  58  11.427  -4.113 -12.293
  457    HZ2  LYS  58           HZ2      LYS  58   9.823  -3.858 -12.435
  458    HZ3  LYS  58           HZ3      LYS  58  10.559  -3.740 -10.967
  459    H    GLU  59           H        GLU  59   8.417  -8.674 -15.181
  460    HA   GLU  59           HA       GLU  59   9.332  -6.069 -15.955
  461    HB2  GLU  59           HB2      GLU  59  10.597  -7.970 -16.568
  462    HB3  GLU  59           HB3      GLU  59   9.185  -8.883 -17.107
  463    HG2  GLU  59           HG2      GLU  59   8.902  -7.567 -19.028
  464    HG3  GLU  59           HG3      GLU  59  10.099  -6.371 -18.495
  465    H    ILE  60           H        ILE  60   6.632  -8.253 -16.906
  466    HA   ILE  60           HA       ILE  60   5.480  -6.592 -18.891
  467    HB   ILE  60           HB       ILE  60   4.504  -8.825 -17.079
  468   HG12  ILE  60          HG12      ILE  60   4.808  -8.703 -20.117
  469   HG13  ILE  60          HG13      ILE  60   6.103  -9.214 -19.045
  470   HG21  ILE  60          HG21      ILE  60   2.514  -7.490 -17.417
  471   HG22  ILE  60          HG22      ILE  60   2.812  -7.423 -19.169
  472   HG23  ILE  60          HG23      ILE  60   2.402  -8.961 -18.361
  473   HD11  ILE  60          HD11      ILE  60   5.052 -11.188 -19.885
  474   HD12  ILE  60          HD12      ILE  60   4.619 -11.052 -18.171
  475   HD13  ILE  60          HD13      ILE  60   3.438 -10.627 -19.433
  476    H    LEU  61           H        LEU  61   4.813  -6.749 -15.326
  477    HA   LEU  61           HA       LEU  61   2.806  -4.703 -15.560
  478    HB2  LEU  61           HB2      LEU  61   4.305  -5.735 -13.142
  479    HB3  LEU  61           HB3      LEU  61   2.970  -4.570 -13.094
  480    HG   LEU  61           HG       LEU  61   2.834  -7.481 -13.933
  481   HD11  LEU  61          HD11      LEU  61   1.229  -7.640 -12.085
  482   HD12  LEU  61          HD12      LEU  61   2.770  -6.988 -11.508
  483   HD13  LEU  61          HD13      LEU  61   1.390  -5.898 -11.769
  484   HD21  LEU  61          HD21      LEU  61   1.428  -6.454 -15.533
  485   HD22  LEU  61          HD22      LEU  61   0.375  -7.088 -14.285
  486   HD23  LEU  61          HD23      LEU  61   0.735  -5.342 -14.330
  487    H    SER  62           H        SER  62   6.328  -4.579 -14.955
  488    HA   SER  62           HA       SER  62   6.422  -1.781 -14.322
  489    HB2  SER  62           HB2      SER  62   8.518  -3.463 -15.757
  490    HB3  SER  62           HB3      SER  62   8.768  -1.902 -14.963
  491    HG   SER  62           HG       SER  62   8.019  -4.376 -13.766
  492    H    GLU  63           H        GLU  63   6.484  -3.589 -17.454
  493    HA   GLU  63           HA       GLU  63   6.734  -1.310 -19.121
  494    HB2  GLU  63           HB2      GLU  63   7.248  -3.592 -19.813
  495    HB3  GLU  63           HB3      GLU  63   5.557  -4.070 -19.657
  496    HG2  GLU  63           HG2      GLU  63   4.901  -2.586 -21.464
  497    HG3  GLU  63           HG3      GLU  63   6.533  -1.909 -21.557
  498    H    MET  64           H        MET  64   3.849  -2.951 -17.758
  499    HA   MET  64           HA       MET  64   1.901  -1.216 -18.998
  500    HB2  MET  64           HB2      MET  64   1.821  -3.003 -16.539
  501    HB3  MET  64           HB3      MET  64   0.430  -2.088 -17.113
  502    HG2  MET  64           HG2      MET  64   0.355  -3.253 -19.189
  503    HG3  MET  64           HG3      MET  64   1.918  -4.016 -18.912
  504    HE1  MET  64           HE1      MET  64  -1.820  -3.813 -17.549
  505    HE2  MET  64           HE2      MET  64  -1.834  -5.178 -16.412
  506    HE3  MET  64           HE3      MET  64  -0.871  -3.739 -16.042
  507    H    GLY  65           H        GLY  65   4.276  -0.442 -16.695
  508    HA2  GLY  65           HA2      GLY  65   4.644   1.701 -15.968
  509    HA3  GLY  65           HA3      GLY  65   2.957   2.135 -16.266
  510    H    TYR  66           H        TYR  66   3.475  -0.793 -14.339
  511    HA   TYR  66           HA       TYR  66   2.489   0.535 -11.919
  512    HB2  TYR  66           HB2      TYR  66   3.492  -2.269 -12.486
  513    HB3  TYR  66           HB3      TYR  66   3.277  -1.657 -10.858
  514    HD1  TYR  66           HD1      TYR  66   1.288  -1.823 -14.076
  515    HD2  TYR  66           HD2      TYR  66   1.260  -2.072  -9.764
  516    HE1  TYR  66           HE1      TYR  66  -1.172  -2.130 -14.106
  517    HE2  TYR  66           HE2      TYR  66  -1.194  -2.450  -9.802
  518    HH   TYR  66           HH       TYR  66  -3.112  -2.281 -11.084
  519    H    THR  67           H        THR  67   3.719   1.672 -10.538
  520    HA   THR  67           HA       THR  67   6.514   2.065 -11.315
  521    HB   THR  67           HB       THR  67   6.214   4.053  -9.750
  522    HG1  THR  67           HG1      THR  67   4.179   4.471  -9.019
  523   HG21  THR  67          HG21      THR  67   4.094   3.841 -11.933
  524   HG22  THR  67          HG22      THR  67   4.839   5.322 -11.299
  525   HG23  THR  67          HG23      THR  67   5.813   4.179 -12.240
  526    H    HIS  68           H        HIS  68   4.880   0.225  -8.909
  527    HA   HIS  68           HA       HIS  68   7.347   0.165  -7.289
  528    HB2  HIS  68           HB2      HIS  68   4.991   1.577  -6.635
  529    HB3  HIS  68           HB3      HIS  68   4.824   0.094  -5.720
  530    HD1  HIS  68           HD1      HIS  68   6.216   0.066  -3.456
  531    HD2  HIS  68           HD2      HIS  68   7.292   3.061  -6.216
  532    HE1  HIS  68           HE1      HIS  68   7.844   1.609  -2.241
  533    H    VAL  69           H        VAL  69   6.140  -1.745  -9.142
  534    HA   VAL  69           HA       VAL  69   5.294  -4.109  -7.684
  535    HB   VAL  69           HB       VAL  69   6.306  -5.218  -9.822
  536   HG11  VAL  69          HG11      VAL  69   4.041  -5.318  -9.578
  537   HG12  VAL  69          HG12      VAL  69   3.802  -3.555  -9.703
  538   HG13  VAL  69          HG13      VAL  69   4.224  -4.527 -11.134
  539   HG21  VAL  69          HG21      VAL  69   7.587  -3.251 -10.650
  540   HG22  VAL  69          HG22      VAL  69   6.453  -3.929 -11.819
  541   HG23  VAL  69          HG23      VAL  69   6.039  -2.425 -10.980
  542    H    GLU  70           H        GLU  70   6.612  -5.965  -7.179
  543    HA   GLU  70           HA       GLU  70   9.522  -5.557  -7.263
  544    HB2  GLU  70           HB2      GLU  70   8.703  -4.536  -5.106
  545    HB3  GLU  70           HB3      GLU  70   8.067  -6.120  -4.633
  546    HG2  GLU  70           HG2      GLU  70  10.318  -7.080  -4.714
  547    HG3  GLU  70           HG3      GLU  70  10.969  -5.587  -5.402
  548    H    ASN  71           H        ASN  71  10.642  -7.467  -7.329
  549    HA   ASN  71           HA       ASN  71   9.012  -9.773  -8.155
  550    HB2  ASN  71           HB2      ASN  71  10.974  -8.928  -9.538
  551    HB3  ASN  71           HB3      ASN  71  12.043  -9.335  -8.204
  552   HD21  ASN  71          HD22      ASN  71   9.402 -10.834 -10.208
  553   HD22  ASN  71          HD21      ASN  71  10.169 -12.413 -10.228
  554    H    ALA  72           H        ALA  72   8.408 -11.227  -6.531
  555    HA   ALA  72           HA       ALA  72   9.849 -11.071  -4.021
  556    HB1  ALA  72           HB1      ALA  72   7.397 -11.342  -4.075
  557    HB2  ALA  72           HB2      ALA  72   7.595 -12.929  -4.854
  558    HB3  ALA  72           HB3      ALA  72   8.192 -12.670  -3.207
  559    H    GLY  73           H        GLY  73   9.445 -13.588  -6.569
  560    HA2  GLY  73           HA2      GLY  73  11.714 -14.820  -6.914
  561    HA3  GLY  73           HA3      GLY  73  11.476 -15.284  -5.220
  562    H    GLY  74           H        GLY  74  11.132 -17.467  -5.566
  563    HA2  GLY  74           HA2      GLY  74   8.527 -18.178  -6.817
  564    HA3  GLY  74           HA3      GLY  74   9.948 -19.223  -6.962
  565    H    LEU  75           H        LEU  75   7.392 -19.770  -5.660
  566    HA   LEU  75           HA       LEU  75   7.309 -19.334  -2.944
  567    HB2  LEU  75           HB2      LEU  75   5.480 -20.181  -4.470
  568    HB3  LEU  75           HB3      LEU  75   6.255 -21.764  -4.466
  569    HG   LEU  75           HG       LEU  75   5.867 -21.950  -2.013
  570   HD11  LEU  75          HD11      LEU  75   5.850 -19.601  -1.316
  571   HD12  LEU  75          HD12      LEU  75   4.487 -19.261  -2.392
  572   HD13  LEU  75          HD13      LEU  75   4.256 -20.288  -0.969
  573   HD21  LEU  75          HD21      LEU  75   3.417 -22.212  -2.158
  574   HD22  LEU  75          HD22      LEU  75   3.388 -21.251  -3.649
  575   HD23  LEU  75          HD23      LEU  75   4.213 -22.827  -3.609
  576    H    LYS  76           H        LYS  76   9.060 -21.871  -4.681
  577    HA   LYS  76           HA       LYS  76   9.634 -23.537  -2.462
  578    HB2  LYS  76           HB2      LYS  76  11.281 -24.570  -3.895
  579    HB3  LYS  76           HB3      LYS  76   9.850 -24.184  -4.851
  580    HG2  LYS  76           HG2      LYS  76  11.067 -22.053  -5.610
  581    HG3  LYS  76           HG3      LYS  76  12.513 -22.683  -4.829
  582    HD2  LYS  76           HD2      LYS  76  10.946 -23.989  -7.092
  583    HD3  LYS  76           HD3      LYS  76  12.479 -23.145  -7.263
  584    HE2  LYS  76           HE2      LYS  76  12.052 -25.714  -5.663
  585    HE3  LYS  76           HE3      LYS  76  12.675 -25.633  -7.309
  586    HZ1  LYS  76           HZ1      LYS  76  14.468 -25.812  -5.735
  587    HZ2  LYS  76           HZ2      LYS  76  14.572 -24.370  -6.477
  588    HZ3  LYS  76           HZ3      LYS  76  14.020 -24.468  -4.938
  589    H    ASP  77           H        ASP  77  10.877 -20.389  -3.105
  590    HA   ASP  77           HA       ASP  77  13.132 -20.828  -1.181
  591    HB2  ASP  77           HB2      ASP  77  13.899 -20.470  -3.487
  592    HB3  ASP  77           HB3      ASP  77  12.948 -18.987  -3.590
  593    H    ILE  78           H        ILE  78  10.238 -19.039  -1.916
  594    HA   ILE  78           HA       ILE  78  10.792 -16.671  -0.366
  595    HB   ILE  78           HB       ILE  78   8.282 -18.008  -1.424
  596   HG12  ILE  78          HG12      ILE  78   9.575 -15.306  -2.047
  597   HG13  ILE  78          HG13      ILE  78   9.934 -16.779  -2.933
  598   HG21  ILE  78          HG21      ILE  78   8.368 -15.412   0.177
  599   HG22  ILE  78          HG22      ILE  78   6.969 -16.010  -0.735
  600   HG23  ILE  78          HG23      ILE  78   7.539 -16.929   0.637
  601   HD11  ILE  78          HD11      ILE  78   7.241 -15.382  -2.840
  602   HD12  ILE  78          HD12      ILE  78   8.359 -15.517  -4.200
  603   HD13  ILE  78          HD13      ILE  78   7.534 -16.967  -3.591
  604    H    ALA  79           H        ALA  79  10.674 -16.336   1.793
  605    HA   ALA  79           HA       ALA  79  10.022 -18.662   3.506
  606    HB1  ALA  79           HB1      ALA  79  11.658 -17.726   5.083
  607    HB2  ALA  79           HB2      ALA  79  12.397 -17.899   3.482
  608    HB3  ALA  79           HB3      ALA  79  11.871 -16.296   4.051
  609    H    MET  80           H        MET  80   8.113 -16.749   2.498
  610    HA   MET  80           HA       MET  80   7.061 -15.298   4.840
  611    HB2  MET  80           HB2      MET  80   5.855 -15.962   2.114
  612    HB3  MET  80           HB3      MET  80   5.014 -15.069   3.375
  613    HG2  MET  80           HG2      MET  80   7.629 -14.183   2.112
  614    HG3  MET  80           HG3      MET  80   6.034 -13.630   1.620
  615    HE1  MET  80           HE1      MET  80   4.595 -11.901   2.786
  616    HE2  MET  80           HE2      MET  80   4.362 -12.992   4.171
  617    HE3  MET  80           HE3      MET  80   4.845 -11.306   4.441
  618    HA   PRO  81           HA       PRO  81   4.773 -18.793   6.545
  619    HB2  PRO  81           HB2      PRO  81   2.390 -16.936   6.480
  620    HB3  PRO  81           HB3      PRO  81   2.959 -17.986   7.813
  621    HG2  PRO  81           HG2      PRO  81   3.458 -15.322   7.857
  622    HG3  PRO  81           HG3      PRO  81   4.743 -16.482   8.328
  623    HD2  PRO  81           HD2      PRO  81   4.376 -15.054   5.686
  624    HD3  PRO  81           HD3      PRO  81   5.870 -15.314   6.639
  625    H    LYS  82           H        LYS  82   3.373 -20.434   5.795
  626    HA   LYS  82           HA       LYS  82   2.290 -20.048   3.033
  627    HB2  LYS  82           HB2      LYS  82   3.064 -22.672   4.378
  628    HB3  LYS  82           HB3      LYS  82   2.594 -22.437   2.702
  629    HG2  LYS  82           HG2      LYS  82   5.175 -21.542   4.016
  630    HG3  LYS  82           HG3      LYS  82   4.937 -22.850   2.848
  631    HD2  LYS  82           HD2      LYS  82   4.180 -21.160   1.159
  632    HD3  LYS  82           HD3      LYS  82   4.563 -19.863   2.293
  633    HE2  LYS  82           HE2      LYS  82   6.536 -21.872   1.106
  634    HE3  LYS  82           HE3      LYS  82   6.356 -20.180   0.645
  635    HZ1  LYS  82           HZ1      LYS  82   8.149 -20.229   2.083
  636    HZ2  LYS  82           HZ2      LYS  82   6.931 -19.658   3.037
  637    HZ3  LYS  82           HZ3      LYS  82   7.429 -21.216   3.180
  638    H    VAL  83           H        VAL  83   0.446 -21.305   2.513
  639    HA   VAL  83           HA       VAL  83  -1.170 -22.474   4.686
  640    HB   VAL  83           HB       VAL  83  -2.158 -20.636   2.459
  641   HG11  VAL  83          HG11      VAL  83  -3.730 -22.524   2.726
  642   HG12  VAL  83          HG12      VAL  83  -3.778 -22.258   4.485
  643   HG13  VAL  83          HG13      VAL  83  -4.439 -21.044   3.369
  644   HG21  VAL  83          HG21      VAL  83  -3.089 -19.260   4.292
  645   HG22  VAL  83          HG22      VAL  83  -2.370 -20.360   5.490
  646   HG23  VAL  83          HG23      VAL  83  -1.333 -19.394   4.426
  647    H    LYS  84           H        LYS  84  -2.054 -24.460   3.913
  648    HA   LYS  84           HA       LYS  84  -0.854 -25.432   1.352
  649    HB2  LYS  84           HB2      LYS  84  -0.924 -26.770   4.081
  650    HB3  LYS  84           HB3      LYS  84  -0.385 -27.544   2.594
  651    HG2  LYS  84           HG2      LYS  84   1.549 -26.084   2.420
  652    HG3  LYS  84           HG3      LYS  84   0.995 -25.076   3.766
  653    HD2  LYS  84           HD2      LYS  84   1.109 -27.017   5.293
  654    HD3  LYS  84           HD3      LYS  84   1.702 -28.043   3.989
  655    HE2  LYS  84           HE2      LYS  84   3.136 -25.516   4.934
  656    HE3  LYS  84           HE3      LYS  84   3.403 -27.103   5.658
  657    HZ1  LYS  84           HZ1      LYS  84   3.974 -26.382   2.837
  658    HZ2  LYS  84           HZ2      LYS  84   5.052 -26.715   4.011
  659    HZ3  LYS  84           HZ3      LYS  84   4.092 -27.906   3.453
  660    H    GLY  85           H        GLY  85  -1.980 -27.119   0.350
  661    HA2  GLY  85           HA2      GLY  85  -3.872 -28.092  -0.495
  662    HA3  GLY  85           HA3      GLY  85  -4.414 -28.329   1.175