*HEADER    TRANSFERASE                             06-AUG-07   2JTS              
*TITLE     RHODANESE WITH ANIONS 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 ANIONS, STRESS RESPONSE,                 
*KEYWDS   2 TRANSFERASE                                                          
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    C.JIN, H.LI                                                           
*REVDAT   1   17-JUN-08 2JTS    0                                                


# 1324 atoms read from pdb file PspE_holo_amber.pdb.
# 2 GLU PHI:  (1 ALA C)-(2 GLU N)-(2 GLU CA)-(2 GLU C) -148.0 -88.0
 &rst     iat =    11,    13,    15,    26,
   r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
   rk2 =   10.0, rk3 =   10.0,    &end

# 2 GLU PSI:  (2 GLU N)-(2 GLU CA)-(2 GLU C)-(3 HIS N) 112.0 172.0
 &rst     iat =    13,    15,    26,    28,
   r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0,
 &end

# 3 HIS PHI:  (2 GLU C)-(3 HIS N)-(3 HIS CA)-(3 HIS C) -150.4 -90.5
 &rst     iat =    26,    28,    30,    43,
   r1 = -151.4, r2 = -150.4, r3 = -90.5, r4 = -89.5,
 &end

# 3 HIS PSI:  (3 HIS N)-(3 HIS CA)-(3 HIS C)-(4 TRP N)  96.6 156.6
 &rst     iat =    28,    30,    43,    45,
   r1 =  95.6, r2 =  96.6, r3 = 156.6, r4 = 157.6,
 &end

# 4 TRP PHI:  (3 HIS C)-(4 TRP N)-(4 TRP CA)-(4 TRP C) -133.9 -74.0
 &rst     iat =    43,    45,    47,    67,
   r1 = -134.9, r2 = -133.9, r3 = -74.0, r4 = -73.0,
 &end

# 4 TRP PSI:  (4 TRP N)-(4 TRP CA)-(4 TRP C)-(5 ILE N)  99.7 159.7
 &rst     iat =    45,    47,    67,    69,
   r1 =  98.7, r2 =  99.7, r3 = 159.7, r4 = 160.7,
 &end

# 11 GLU PHI:  (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -96.1 -36.1
 &rst     iat =   168,   170,   172,   183,
   r1 = -97.1, r2 = -96.1, r3 = -36.1, r4 = -35.1,
 &end

# 11 GLU PSI:  (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 GLN N) -71.3 -11.4
 &rst     iat =   170,   172,   183,   185,
   r1 = -72.3, r2 = -71.3, r3 = -11.4, r4 = -10.4,
 &end

# 12 GLN PHI:  (11 GLU C)-(12 GLN N)-(12 GLN CA)-(12 GLN C) -94.0 -34.0
 &rst     iat =   183,   185,   187,   200,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 12 GLN PSI:  (12 GLN N)-(12 GLN CA)-(12 GLN C)-(13 TYR N) -74.1 -14.1
 &rst     iat =   185,   187,   200,   202,
   r1 = -75.1, r2 = -74.1, r3 = -14.1, r4 = -13.1,
 &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

# 17 HIS PHI:  (16 GLU C)-(17 HIS N)-(17 HIS CA)-(17 HIS C) -146.4 -86.4
 &rst     iat =   270,   272,   274,   287,
   r1 = -147.4, r2 = -146.4, r3 = -86.4, r4 = -85.4,
 &end

# 17 HIS PSI:  (17 HIS N)-(17 HIS CA)-(17 HIS C)-(18 VAL N) 106.3 166.3
 &rst     iat =   272,   274,   287,   289,
   r1 = 105.3, r2 = 106.3, r3 = 166.3, r4 = 167.3,
 &end

# 26 LEU PHI:  (25 PRO C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -91.4 -31.4
 &rst     iat =   403,   405,   407,   422,
   r1 = -92.4, r2 = -91.4, r3 = -31.4, r4 = -30.4,
 &end

# 26 LEU PSI:  (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 LYS N) -61.1  -1.1
 &rst     iat =   405,   407,   422,   424,
   r1 = -62.1, r2 = -61.1, r3 =  -1.1, r4 =  -0.1,
 &end

# 27 LYS PHI:  (26 LEU C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -112.0 -52.0
 &rst     iat =   422,   424,   426,   444,
   r1 = -113.0, r2 = -112.0, r3 = -52.0, r4 = -51.0,
 &end

# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 GLU N) -48.3  11.7
 &rst     iat =   424,   426,   444,   446,
   r1 = -49.3, r2 = -48.3, r3 =  11.7, r4 =  12.7,
 &end

# 29 VAL PHI:  (28 GLU C)-(29 VAL N)-(29 VAL CA)-(29 VAL C) -92.7 -32.6
 &rst     iat =   459,   461,   463,   475,
   r1 = -93.7, r2 = -92.7, r3 = -32.6, r4 = -31.6,
 &end

# 29 VAL PSI:  (29 VAL N)-(29 VAL CA)-(29 VAL C)-(30 LYS N) -70.8 -10.8
 &rst     iat =   461,   463,   475,   477,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end

# 30 LYS PHI:  (29 VAL C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -90.3 -30.3
 &rst     iat =   475,   477,   479,   497,
   r1 = -91.3, r2 = -90.3, r3 = -30.3, r4 = -29.3,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 GLU N) -67.8  -7.8
 &rst     iat =   477,   479,   497,   499,
   r1 = -68.8, r2 = -67.8, r3 =  -7.8, r4 =  -6.8,
 &end

# 31 GLU PHI:  (30 LYS C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -108.5 -48.5
 &rst     iat =   497,   499,   501,   512,
   r1 = -109.5, r2 = -108.5, r3 = -48.5, r4 = -47.5,
 &end

# 31 GLU PSI:  (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 ARG N) -53.1   6.9
 &rst     iat =   499,   501,   512,   514,
   r1 = -54.1, r2 = -53.1, r3 =   6.9, r4 =   7.9,
 &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

# 43 THR PHI:  (42 ASP C)-(43 THR N)-(43 THR CA)-(43 THR C) -129.1 -69.1
 &rst     iat =   679,   681,   683,   693,
   r1 = -130.1, r2 = -129.1, r3 = -69.1, r4 = -68.1,
 &end

# 43 THR PSI:  (43 THR N)-(43 THR CA)-(43 THR C)-(44 VAL N)  99.3 159.3
 &rst     iat =   681,   683,   693,   695,
   r1 =  98.3, r2 =  99.3, r3 = 159.3, r4 = 160.3,
 &end

# 44 VAL PHI:  (43 THR C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -151.4 -91.4
 &rst     iat =   693,   695,   697,   709,
   r1 = -152.4, r2 = -151.4, r3 = -91.4, r4 = -90.4,
 &end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 LYS N)  98.5 158.5
 &rst     iat =   695,   697,   709,   711,
   r1 =  97.5, r2 =  98.5, r3 = 158.5, r4 = 159.5,
 &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

# 52 ARG PHI:  (51 GLY C)-(52 ARG N)-(52 ARG CA)-(52 ARG C) -100.1 -40.1
 &rst     iat =   810,   812,   814,   834,
   r1 = -101.1, r2 = -100.1, r3 = -40.1, r4 = -39.1,
 &end

# 52 ARG PSI:  (52 ARG N)-(52 ARG CA)-(52 ARG C)-(53 GLN N) -54.7   5.3
 &rst     iat =   812,   814,   834,   836,
   r1 = -55.7, r2 = -54.7, r3 =   5.3, r4 =   6.3,
 &end

# 53 GLN PHI:  (52 ARG C)-(53 GLN N)-(53 GLN CA)-(53 GLN C) -92.9 -32.9
 &rst     iat =   834,   836,   838,   851,
   r1 = -93.9, r2 = -92.9, r3 = -32.9, r4 = -31.9,
 &end

# 53 GLN PSI:  (53 GLN N)-(53 GLN CA)-(53 GLN C)-(54 SER N) -72.1 -12.1
 &rst     iat =   836,   838,   851,   853,
   r1 = -73.1, r2 = -72.1, r3 = -12.1, r4 = -11.1,
 &end

# 54 SER PHI:  (53 GLN C)-(54 SER N)-(54 SER CA)-(54 SER C) -98.3 -38.3
 &rst     iat =   851,   853,   855,   862,
   r1 = -99.3, r2 = -98.3, r3 = -38.3, r4 = -37.3,
 &end

# 54 SER PSI:  (54 SER N)-(54 SER CA)-(54 SER C)-(55 GLY N) -71.5 -11.5
 &rst     iat =   853,   855,   862,   864,
   r1 = -72.5, r2 = -71.5, r3 = -11.5, r4 = -10.5,
 &end

# 55 GLY PHI:  (54 SER C)-(55 GLY N)-(55 GLY CA)-(55 GLY C) -94.1 -34.1
 &rst     iat =   862,   864,   866,   869,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 55 GLY PSI:  (55 GLY N)-(55 GLY CA)-(55 GLY C)-(56 GLN N) -71.6 -11.6
 &rst     iat =   864,   866,   869,   871,
   r1 = -72.6, r2 = -71.6, r3 = -11.6, r4 = -10.6,
 &end

# 56 GLN PHI:  (55 GLY C)-(56 GLN N)-(56 GLN CA)-(56 GLN C) -98.0 -38.0
 &rst     iat =   869,   871,   873,   886,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 56 GLN PSI:  (56 GLN N)-(56 GLN CA)-(56 GLN C)-(57 ALA N) -70.5 -10.5
 &rst     iat =   871,   873,   886,   888,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &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) -96.0 -36.0
 &rst     iat =   918,   920,   922,   933,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 59 GLU PSI:  (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 ILE N) -69.9  -9.9
 &rst     iat =   920,   922,   933,   935,
   r1 = -70.9, r2 = -69.9, r3 =  -9.9, r4 =  -8.9,
 &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) -98.8 -38.8
 &rst     iat =   982,   984,   986,   997,
   r1 = -99.8, r2 = -98.8, r3 = -38.8, r4 = -37.8,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 MET N) -55.3   4.7
 &rst     iat =   984,   986,   997,   999,
   r1 = -56.3, r2 = -55.3, r3 =   4.7, r4 =   5.7,
 &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) -118.3 -58.3
 &rst     iat =  1104,  1106,  1108,  1118,
   r1 = -119.3, r2 = -118.3, r3 = -58.3, r4 = -57.3,
 &end

# 71 ASN PSI:  (71 ASN N)-(71 ASN CA)-(71 ASN C)-(72 ALA N)  95.2 155.2
 &rst     iat =  1106,  1108,  1118,  1120,
   r1 =  94.2, r2 =  95.2, r3 = 155.2, r4 = 156.2,
 &end

# 82 LYS PHI:  (81 PRO C)-(82 LYS N)-(82 LYS CA)-(82 LYS C) -140.5 -80.5
 &rst     iat =  1255,  1257,  1259,  1277,
   r1 = -141.5, r2 = -140.5, r3 = -80.5, r4 = -79.5,
 &end

# 82 LYS PSI:  (82 LYS N)-(82 LYS CA)-(82 LYS C)-(83 VAL N) 117.5 177.5
 &rst     iat =  1257,  1259,  1277,  1279,
   r1 = 116.5, r2 = 117.5, r3 = 177.5, r4 = 178.5,
 &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

# 84 LYS PHI:  (83 VAL C)-(84 LYS N)-(84 LYS CA)-(84 LYS C) -130.9 -70.9
 &rst     iat =  1293,  1295,  1297,  1315,
   r1 = -131.9, r2 = -130.9, r3 = -70.9, r4 = -69.9,
 &end

# 84 LYS PSI:  (84 LYS N)-(84 LYS CA)-(84 LYS C)-(85 GLY N)  93.8 153.8
 &rst     iat =  1295,  1297,  1315,  1317,
   r1 =  92.8, r2 =  93.8, r3 = 153.8, r4 = 154.8,
 &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  MG2          67 THR  HB          3.50    (#      1:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=1051,1052,1053,
 &end
#
#   36 ALA  HN           35 THR  HB          4.50    (#      2:20  Unique         2.84, 3.69 A)
 &rst
  ixpk= 2, nxpk= 20, iat= 582, 572, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:3       43 THR  HB          5.50    (#      3:20  Single Ambig)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  21,  22,  21,  22,
 &end
#
#   43 THR  HN           43 THR  HB          4.50    (#      4:20  Unique         2.28, 2.58 A)
 &rst
  ixpk= 4, nxpk= 20, iat= 682, 686, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    2 GLU  HA           43 THR  HB          4.50    (#      5:20  Unique         2.08, 2.28 A)
 &rst
  ixpk= 5, nxpk= 20, iat=  16, 686, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:7       43 THR  HB          4.50    (#      7:20  Single Ambig)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  18,  19,  18,  19,
 &end
#
#   43 THR  MG2          43 THR  HB          3.50    (#      8:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 688, 689, 690,
 &end
#
#   35 THR  HN           35 THR  HB          4.50    (#      9:20  Unique         2.71, 3.44 A)
 &rst
  ixpk= 9, nxpk= 20, iat= 568, 572, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 THR  MG2          35 THR  HB          3.50    (#     11:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1, 572, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 574, 575, 576,
 &end
#
#    0 AMB  20-2:12      29 VAL  HA          4.50    (#     12:20  Single Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 478, 447,
 &end
#
#   32 ARG  HN           29 VAL  HA          5.50    (#     13:20  Unique         3.48, 3.75 A)
 &rst
  ixpk= 13, nxpk= 20, iat= 515, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 VAL  HN           29 VAL  HA          4.50    (#     14:20  Unique         2.64, 2.72 A)
 &rst
  ixpk= 14, nxpk= 20, iat= 462, 464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HB           29 VAL  HA          4.50    (#     15:20  Unique         2.46, 2.61 A)
 &rst
  ixpk= 15, nxpk= 20, iat= 466, 464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:16      29 VAL  HA          4.50    (#     16:20  Single Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 519, 520, 543,
 &end
#
#   32 ARG  HB-          29 VAL  HA          5.50    (#     17:20  Unique         2.81, 3.91 A)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 519, 520,
 &end
#
#   29 VAL  MGY          29 VAL  HA          3.50    (#     18:20  Unique         2.37, 3.46 A)
 &rst
  ixpk= 18, 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
#
#   29 VAL  MGX          29 VAL  HA          4.50    (#     19:20  Unique         2.37, 3.46 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 464, 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  HA          2.80    (#     20:20  Unique         2.12, 2.77 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 379, 380, 381,
 &end
#
#   10 PRO  HB+          10 PRO  HA          3.50    (#     22:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 164, 165,
 &end
#
#    0 AMB  20-2:23      10 PRO  HA          3.50    (#     23:20  Single Ambig)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 161, 162, 363, 364,
 &end
#
#   13 TYR  HN           10 PRO  HA          5.50    (#     24:20  Unique         2.79, 3.06 A)
 &rst
  ixpk= 24, nxpk= 20, iat= 203, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:25      10 PRO  HA          5.50    (#     25:20  Single Ambig)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 158, 159, 158, 159,
 &end
#
#   13 TYR  HB+          10 PRO  HA          4.50    (#     26:20  Unique         2.21, 2.89 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#   13 TYR  HB-          10 PRO  HA          4.50    (#     27:20  Unique         2.21, 2.89 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#   10 PRO  HG+          10 PRO  HA          5.50    (#     28:20  Unique         2.83, 3.68 A)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 161, 162,
 &end
#
#   60 ILE  HN           60 ILE  HA          4.50    (#     29:20  Unique         2.86, 2.88 A)
 &rst
  ixpk= 29, nxpk= 20, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:30      60 ILE  HA          4.50    (#     30:20  Single Ambig)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:31      60 ILE  HA          3.50    (#     31:20  Single Ambig)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 946, 947, 940,
 &end
#
#   60 ILE  HG1+         60 ILE  HA          3.50    (#     32:20  Unique         2.46, 2.65 A)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 946, 947,
 &end
#
#   60 ILE  QG2          60 ILE  HA          3.50    (#     33:20  Unique         2.65, 3.35 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 942, 943, 944,
 &end
#
#   34 ALA  HA           38 PRO  HA          4.50    (#     34:20  Unique         2.51, 3.29 A)
 &rst
  ixpk= 34, nxpk= 20, iat= 560, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:35      38 PRO  HA          3.50    (#     35:20  Single Ambig)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 612, 613, 612, 613,
 &end
#
#   68 HIS  HB-          43 THR  HA          5.50    (#     36:20  Unique         2.16, 2.62 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#   35 THR  HN           35 THR  HA          4.50    (#     37:20  Unique         2.85, 2.93 A)
 &rst
  ixpk= 37, nxpk= 20, iat= 568, 570, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 ALA  HN           35 THR  HA          5.50    (#     38:20  Unique         3.13, 3.52 A)
 &rst
  ixpk= 38, nxpk= 20, iat= 582, 570, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:39      35 THR  HA          5.50    (#     39:20  Single Ambig)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 612, 613, 612, 613,
 &end
#
#   34 ALA  MB           35 THR  HA          5.50    (#     40:20  Unique         4.40, 5.10 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 562, 563, 564,
 &end
#
#   19 GLN  HN           18 VAL  HA          2.80    (#     41:20  Unique         2.06, 2.16 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 306, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:42      18 VAL  HA          5.50    (#     42:20  Single Ambig)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1280, 330,
 &end
#
#   18 VAL  HN           18 VAL  HA          4.50    (#     43:20  Unique         2.77, 2.84 A)
 &rst
  ixpk= 43, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:44      18 VAL  HA          3.50    (#     44:20  Single Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 294,1262,1263,1234,1235,
 &end
#
#   82 LYS  HG-          18 VAL  HA          4.50    (#     45:20  Unique         2.12, 2.81 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1265,1266,
 &end
#
#    0 AMB  20-2:46      18 VAL  HA          2.80    (#     46:20  Single Ambig)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 &end
#
#   82 LYS  HN           81 PRO  HA          2.80    (#     47:20  Unique         2.26, 2.37 A)
 &rst
  ixpk= 47, 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    (#     48:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 48, 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    (#     49:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1251,1252,
 &end
#
#   81 PRO  HG-          81 PRO  HA          4.50    (#     50:20  Unique         2.81, 3.65 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1248,1249,
 &end
#
#    0 AMB  20-2:51      81 PRO  HA          4.50    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1268,1269,1265,1266,
 &end
#
#   68 HIS  HN           67 THR  HA          5.50    (#     52:20  Unique         2.41, 3.39 A)
 &rst
  ixpk= 52, nxpk= 20, iat=1059,1047, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 THR  HN           67 THR  HA          4.50    (#     53:20  Unique         2.78, 2.91 A)
 &rst
  ixpk= 53, nxpk= 20, iat=1045,1047, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 SER  HN            0 AMB  20-1:54     4.50    (#     54:20  Single Ambig)
 &rst
  ixpk= 54, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 978, 979, 978, 979,
 &end
#
#   63 GLU  HN           62 SER  HB+         4.50    (#     55:20  Unique         2.54, 3.21 A)
 &rst
  ixpk= 55, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 978, 979,
 &end
#
#   62 SER  HN            0 AMB  20-1:56     4.50    (#     56:20  Single Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 978, 979, 978, 979,
 &end
#
#   63 GLU  HN            0 AMB  20-1:57     4.50    (#     57:20  Single Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 978, 979, 978, 979,
 &end
#
#    0 AMB  20-2:58      62 SER  HA          2.80    (#     58:20  Single Ambig)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 978, 979, 978, 979,
 &end
#
#   79 ALA  HN           78 ILE  HA          2.80    (#     59:20  Unique         2.13, 2.18 A)
 &rst
  ixpk= 59, nxpk= 20, iat=1217,1200, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:60       0 AMB  20-1:60     4.50    (#     60:20  Double Ambig)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1198, 568,
 igr2=1200, 541,
 &end
#
#    0 AMB  20-2:61      78 ILE  HA          4.50    (#     61:20  Single Ambig)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1202,1125,1126,1127,
 &end
#
#   78 ILE  HG1+         78 ILE  HA          3.50    (#     62:20  Unique         2.25, 3.37 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#    0 AMB  20-2:63       0 AMB  20-1:63     2.80    (#     63:20  Double Ambig)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 386, 387, 388, 379, 380, 381,1204,1205,1206,
 igr2= 541,1200,
 &end
#
#    0 AMB  20-2:64      62 SER  HA          5.50    (#     64:20  Single Ambig)
 &rst
  ixpk= 64, 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
#
#   33 ILE  HN           33 ILE  HA          3.50    (#     65:20  Unique         2.76, 2.80 A)
 &rst
  ixpk= 65, nxpk= 20, iat= 539, 541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  HN           33 ILE  HA          5.50    (#     66:20  Unique         3.54, 3.57 A)
 &rst
  ixpk= 66, nxpk= 20, iat= 558, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 ALA  HN           33 ILE  HA          4.50    (#     67:20  Unique         3.04, 3.23 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 582, 541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:68      33 ILE  HA          2.80    (#     68:20  Single Ambig)
 &rst
  ixpk= 68, 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  HG1+         33 ILE  HA          3.50    (#     69:20  Unique         2.84, 3.39 A)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#    0 AMB  20-2:70      33 ILE  HA          2.80    (#     70:20  Single Ambig)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 386, 387, 388, 552, 553, 554, 379, 380, 381,
 &end
#
#    0 AMB  20-2:71       0 AMB  20-1:71     2.80    (#     71:20  Double Ambig)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1208,1209, 543,
 igr2=1200, 541,
 &end
#
#   62 SER  HN           62 SER  HA          4.50    (#     72:20  Unique         2.80, 2.85 A)
 &rst
  ixpk= 72, nxpk= 20, iat= 974, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HN           62 SER  HA          4.50    (#     73:20  Unique         2.05, 3.20 A)
 &rst
  ixpk= 73, nxpk= 20, iat=1024, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:74      62 SER  HA          5.50    (#     74:20  Single Ambig)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1017,1000,
 &end
#
#   33 ILE  HB           33 ILE  HA          2.80    (#     75:20  Unique         2.40, 2.45 A)
 &rst
  ixpk= 75, nxpk= 20, iat= 543, 541, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 ILE  QG2          33 ILE  HA          4.50    (#     76:20  Unique         3.68, 3.97 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 545, 546, 547,
 &end
#
#    0 AMB  20-2:78      54 SER  HA          4.50    (#     78:20  Single Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 899, 771,
 &end
#
#    0 AMB  20-2:79      54 SER  HA          3.50    (#     79:20  Single Ambig)
 &rst
  ixpk= 79, 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  MGX          54 SER  HA          3.50    (#     80:20  Unique         2.08, 3.90 A)
 &rst
  ixpk= 80, 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
#
#    0 AMB  20-2:81      54 SER  HA          5.50    (#     81:20  Single Ambig)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 865, 101,
 &end
#
#    3 HIS  HN           44 VAL  HA          4.50    (#     84:20  Unique         2.55, 2.98 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  29, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 VAL  HB           44 VAL  HA          4.50    (#     85:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 85, nxpk= 20, iat= 700, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HA           54 SER  HB+         5.50    (#     87:20  Unique         2.10, 2.93 A)
 &rst
  ixpk= 87, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#   47 TYR  HA           54 SER  HB-         5.50    (#     88:20  Unique         2.10, 2.93 A)
 &rst
  ixpk= 88, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#   46 VAL  MGX          54 SER  HB-         5.50    (#     90:20  Unique         2.22, 5.10 A)
 &rst
  ixpk= 90, 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-         5.50    (#     91:20  Unique         2.31, 5.46 A)
 &rst
  ixpk= 91, 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= 858, 859,
 &end
#
#   45 LYS  HN           44 VAL  HA          2.80    (#     92:20  Unique         2.11, 2.16 A)
 &rst
  ixpk= 92, nxpk= 20, iat= 712, 698, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 HIS  HB-          44 VAL  HA          4.50    (#     93:20  Unique         2.91, 3.83 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#   44 VAL  MGY          44 VAL  HA          3.50    (#     94:20  Unique         2.42, 3.16 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  MGX          44 VAL  HA          3.50    (#     95:20  Unique         2.42, 3.16 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    3 HIS  HB+          44 VAL  HA          5.50    (#     96:20  Unique         2.91, 3.83 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  33,  34,
 &end
#
#    0 AMB  20-2:97      44 VAL  HA          4.50    (#     97:20  Single Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 719, 720, 716, 717, 552, 553, 554,
 &end
#
#    0 AMB  20-2:99      13 TYR  HA          3.50    (#     99:20  Single Ambig)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 203, 258,
 &end
#
#   13 TYR  HB+          13 TYR  HA          4.50    (#    100:20  Unique         2.39, 2.80 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#   13 TYR  HB-          13 TYR  HA          3.50    (#    101:20  Unique         2.39, 2.80 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#   17 HIS  HB+          13 TYR  HA          4.50    (#    102:20  Unique         2.02, 2.91 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 277, 278,
 &end
#
#    9 VAL  HN            9 VAL  HA          4.50    (#    103:20  Unique         2.73, 2.80 A)
 &rst
  ixpk= 103, nxpk= 20, iat= 141, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:104      9 VAL  HA          2.80    (#    104:20  Single Ambig)
 &rst
  ixpk= 104, 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          3.50    (#    105:20  Unique         2.52, 2.55 A)
 &rst
  ixpk= 105, nxpk= 20, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:106      0 AMB  20-1:106    3.50    (#    106:20  Double Ambig)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 399, 400, 876, 877,
 igr2= 143, 839,
 &end
#
#   25 PRO  HB-           9 VAL  HA          5.50    (#    107:20  Unique         2.25, 3.75 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 399, 400,
 &end
#
#    9 VAL  MGY           9 VAL  HA          3.50    (#    108:20  Unique         2.39, 3.49 A)
 &rst
  ixpk= 108, 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  HG+          53 GLN  HA          3.50    (#    110:20  Unique         2.30, 2.99 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1, 839, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 844, 845,
 &end
#
#   53 GLN  HB-          53 GLN  HA          2.80    (#    111:20  Unique         2.32, 2.77 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 841, 842,
 &end
#
#    0 AMB  20-2:113     53 GLN  HA          2.80    (#    113:20  Single Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1, 839, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 879, 880, 841, 842, 876, 877,
 &end
#
#   26 LEU  MDX          53 GLN  HA          3.50    (#    114:20  Unique         2.35, 4.57 A)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 839, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#   44 VAL  HN           69 VAL  HA          4.50    (#    115:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 115, nxpk= 20, iat= 696,1078, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  HN           69 VAL  HA          4.50    (#    116:20  Unique         2.89, 2.94 A)
 &rst
  ixpk= 116, nxpk= 20, iat=1076,1078, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:117     69 VAL  HA          3.50    (#    117:20  Single Ambig)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 700,1080,
 &end
#
#   70 GLU  HN           69 VAL  HA          2.80    (#    118:20  Unique         2.20, 2.27 A)
 &rst
  ixpk= 118, nxpk= 20, iat=1092,1078, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 LEU  HN            7 VAL  HA          4.50    (#    119:20  Unique         3.43, 3.58 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 406, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ARG  HN            7 VAL  HA          4.50    (#    120:20  Unique         2.40, 2.96 A)
 &rst
  ixpk= 120, nxpk= 20, iat= 117, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HN            7 VAL  HA          4.50    (#    121:20  Unique         2.97, 2.99 A)
 &rst
  ixpk= 121, nxpk= 20, iat= 101, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 PRO  HA            7 VAL  HA          4.50    (#    122:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 122, nxpk= 20, iat= 402, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HB            7 VAL  HA          3.50    (#    123:20  Unique         2.35, 2.39 A)
 &rst
  ixpk= 123, nxpk= 20, iat= 105, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  MGY           7 VAL  HA          2.80    (#    124:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  MGX           7 VAL  HA          3.50    (#    125:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 125, 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
#
#   24 ILE  HN            7 VAL  HA          5.50    (#    126:20  Unique         2.78, 3.08 A)
 &rst
  ixpk= 126, nxpk= 20, iat= 373, 103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 GLU  HN           11 GLU  HA          3.50    (#    127:20  Unique         2.74, 2.79 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 171, 173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:128     11 GLU  HA          2.80    (#    128:20  Single Ambig)
 &rst
  ixpk= 128, 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          3.50    (#    129:20  Unique         2.78, 2.87 A)
 &rst
  ixpk= 129, nxpk= 20, iat= 478, 480, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLU  HN           30 LYS  HA          4.50    (#    130:20  Unique         3.37, 3.50 A)
 &rst
  ixpk= 130, nxpk= 20, iat= 500, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:131      0 AMB  20-1:131    2.80    (#    131:20  Double Ambig)
 &rst
  ixpk= 131, 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
#
#   83 VAL  HN           83 VAL  HA          4.50    (#    132:20  Unique         2.87, 2.94 A)
 &rst
  ixpk= 132, nxpk= 20, iat=1280,1282, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 LYS  HN           83 VAL  HA          2.80    (#    133:20  Unique         2.18, 2.32 A)
 &rst
  ixpk= 133, nxpk= 20, iat=1296,1282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 VAL  HB           83 VAL  HA          3.50    (#    134:20  Unique         2.38, 2.53 A)
 &rst
  ixpk= 134, nxpk= 20, iat=1284,1282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:135      0 AMB  20-1:135    2.80    (#    135:20  Double Ambig)
 &rst
  ixpk= 135, 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
#
#   59 GLU  HN           58 LYS  HA          5.50    (#    136:20  Unique         3.60, 3.61 A)
 &rst
  ixpk= 136, nxpk= 20, iat= 921, 901, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:137      0 AMB  20-1:137    3.50    (#    137:20  Double Ambig)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1011,1012,1013, 903, 904,
 igr2= 480, 901,
 &end
#
#   58 LYS  HB-          58 LYS  HA          2.80    (#    138:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 903, 904,
 &end
#
#    0 AMB  20-2:139      0 AMB  20-1:139    3.50    (#    139:20  Double Ambig)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 485, 486, 906, 907,
 igr2= 480, 901,
 &end
#
#    0 AMB  20-2:140      0 AMB  20-1:140    2.80    (#    140:20  Double Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 942, 943, 944, 740, 741, 742, 744, 745,
       746,
 igr2= 901, 480,
 &end
#
#   61 LEU  MDY           0 AMB  20-1:141    5.50    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, 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= 901, 480,
 &end
#
#    0 AMB  20-2:143     58 LYS  HA          3.50    (#    143:20  Single Ambig)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 906, 907, 959, 960,
 &end
#
#   83 VAL  MGY          83 VAL  HA          3.50    (#    144:20  Unique         2.38, 3.50 A)
 &rst
  ixpk= 144, 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
#
#   14 GLN  HN           11 GLU  HA          4.50    (#    145:20  Unique         3.13, 3.52 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 224, 173, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HN           66 TYR  HA          4.50    (#    146:20  Unique         2.76, 2.90 A)
 &rst
  ixpk= 146, nxpk= 20, iat=1024,1026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 THR  HN           66 TYR  HA          3.50    (#    147:20  Unique         2.16, 2.25 A)
 &rst
  ixpk= 147, nxpk= 20, iat=1045,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HB+          66 TYR  HA          4.50    (#    149:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   40 LYS  HB+          66 TYR  HA          3.50    (#    150:20  Unique         2.09, 3.13 A)
 &rst
  ixpk= 150, 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          4.50    (#    151:20  Unique         2.09, 3.13 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:152     66 TYR  HA          4.50    (#    152:20  Single Ambig)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 644, 645, 641, 642,
 &end
#
#   66 TYR  HB-          66 TYR  HA          4.50    (#    154:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   59 GLU  HN           59 GLU  HA          3.50    (#    155:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 155, nxpk= 20, iat= 921, 923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 ASN  HN           22 ILE  HA          3.50    (#    156:20  Unique         2.16, 2.22 A)
 &rst
  ixpk= 156, 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    (#    158:20  Unique         2.43, 2.63 A)
 &rst
  ixpk= 158, nxpk= 20, iat= 344, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1-         22 ILE  HA          5.50    (#    159:20  Unique         2.67, 3.65 A)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 350, 351,
 &end
#
#   22 ILE  HG1+         22 ILE  HA          5.50    (#    160:20  Unique         2.67, 3.65 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 350, 351,
 &end
#
#    0 AMB  20-2:161     22 ILE  HA          3.50    (#    161:20  Single Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 346, 347, 348, 353, 354, 355,
 &end
#
#   52 ARG  HN           52 ARG  HA          5.50    (#    162:20  Unique         2.72, 2.82 A)
 &rst
  ixpk= 162, nxpk= 20, iat= 813, 815, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   55 GLY  HN           52 ARG  HA          5.50    (#    163:20  Unique         2.72, 3.24 A)
 &rst
  ixpk= 163, nxpk= 20, iat= 865, 815, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:164     52 ARG  HA          5.50    (#    164:20  Single Ambig)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 823, 824, 823, 824,
 &end
#
#    0 AMB  20-2:165     52 ARG  HA          2.80    (#    165:20  Single Ambig)
 &rst
  ixpk= 165, 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    (#    166:20  Unique         2.62, 3.43 A)
 &rst
  ixpk= 166, 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          3.50    (#    167:20  Unique         2.84, 2.86 A)
 &rst
  ixpk= 167, nxpk= 20, iat= 985, 987, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:168     63 GLU  HA          4.50    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1017,1000,
 &end
#
#   63 GLU  HG+          63 GLU  HA          3.50    (#    169:20  Unique         2.40, 2.85 A)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 992, 993,
 &end
#
#    0 AMB  20-2:170     63 GLU  HA          2.80    (#    170:20  Single Ambig)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 989, 990, 989, 990,
 &end
#
#   58 LYS  HN           56 GLN  HA          4.50    (#    171:20  Unique         4.23, 4.33 A)
 &rst
  ixpk= 171, nxpk= 20, iat= 899, 874, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HN           56 GLN  HA          4.50    (#    172:20  Unique         3.54, 3.62 A)
 &rst
  ixpk= 172, nxpk= 20, iat= 921, 874, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:173     56 GLN  HA          2.80    (#    173:20  Single Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 876, 877, 879, 880,
 &end
#
#    0 AMB  20-2:174     56 GLN  HA          2.80    (#    174:20  Single Ambig)
 &rst
  ixpk= 174, 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
#
#   15 GLN  HN           15 GLN  HA          3.50    (#    175:20  Unique         2.83, 2.92 A)
 &rst
  ixpk= 175, nxpk= 20, iat= 241, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:176     15 GLN  HA          2.80    (#    176:20  Single Ambig)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 245, 246, 245, 246,
 &end
#
#   85 GLY  HN           15 GLN  HA          4.50    (#    177:20  Unique         2.67, 4.10 A)
 &rst
  ixpk= 177, nxpk= 20, iat=1318, 243, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:178      0 AMB  20-1:178    4.50    (#    178:20  Double Ambig)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 258, 582, 368, 369,
 igr2= 243, 594, 375,
 &end
#
#   15 GLN  HG-          15 GLN  HA          3.50    (#    179:20  Unique         2.58, 3.75 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 248, 249,
 &end
#
#   26 LEU  HN           26 LEU  HA          3.50    (#    180:20  Unique         2.62, 2.69 A)
 &rst
  ixpk= 180, nxpk= 20, iat= 406, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 LEU  HB+          26 LEU  HA          3.50    (#    181:20  Unique         2.41, 2.75 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#    0 AMB  20-2:182     26 LEU  HA          2.80    (#    182:20  Single Ambig)
 &rst
  ixpk= 182, 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  20-2:183     26 LEU  HA          2.80    (#    183:20  Single Ambig)
 &rst
  ixpk= 183, 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
#
#   29 VAL  HN           26 LEU  HA          4.50    (#    184:20  Unique         3.37, 3.46 A)
 &rst
  ixpk= 184, nxpk= 20, iat= 462, 408, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HB           26 LEU  HA          3.50    (#    185:20  Unique         2.70, 2.93 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 105, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HB           26 LEU  HA          4.50    (#    186:20  Unique         2.45, 2.71 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 466, 408, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 LYS  HN           27 LYS  HA          3.50    (#    187:20  Unique         2.82, 2.86 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 425, 427, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:188      0 AMB  20-1:188    2.80    (#    188:20  Double Ambig)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 429, 430, 519, 520, 522, 523,
 igr2= 427, 375,
 &end
#
#    0 AMB  20-2:189     27 LYS  HA          3.50    (#    189:20  Single Ambig)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1, 427, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 432, 433, 432, 433,
 &end
#
#    0 AMB  20-2:190     27 LYS  HA          4.50    (#    190:20  Single Ambig)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1, 427, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 447, 478,
 &end
#
#   76 LYS  HN           76 LYS  HA          3.50    (#    191:20  Unique         2.79, 2.84 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1164,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 LEU  HB+          76 LYS  HA          5.50    (#    192:20  Unique         4.28, 5.14 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1149,1150,
 &end
#
#    0 AMB  20-2:193     76 LYS  HA          3.50    (#    193:20  Single Ambig)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1171,1172,1171,1172,
 &end
#
#   12 GLN  HN           12 GLN  HA          3.50    (#    194:20  Unique         2.84, 2.90 A)
 &rst
  ixpk= 194, nxpk= 20, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:195     12 GLN  HA          5.50    (#    195:20  Single Ambig)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 258, 203,
 &end
#
#   15 GLN  HN           12 GLN  HA          4.50    (#    196:20  Unique         2.88, 3.60 A)
 &rst
  ixpk= 196, nxpk= 20, iat= 241, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:197     12 GLN  HA          2.80    (#    197:20  Single Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 190, 191, 190, 191, 245, 246, 245, 246,
 &end
#
#   15 GLN  HG-          12 GLN  HA          2.80    (#    198:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 248, 249,
 &end
#
#   25 PRO  HD+          24 ILE  HA          3.50    (#    199:20  Unique         2.22, 2.44 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 393, 394,
 &end
#
#    0 AMB  20-2:200      0 AMB  20-1:200    2.80    (#    200:20  Double Ambig)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 609, 610, 393, 394,
 igr2= 594, 375,
 &end
#
#    0 AMB  20-2:201     24 ILE  HA          2.80    (#    201:20  Single Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   39 ASP  HN           37 VAL  HA          5.50    (#    202:20  Unique         3.22, 3.64 A)
 &rst
  ixpk= 202, nxpk= 20, iat= 622, 594, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:203      0 AMB  20-1:203    2.80    (#    203:20  Double Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 596,1300,1301, 396, 397,
 igr2= 594, 243, 375,
 &end
#
#   37 VAL  MGY          37 VAL  HA          2.80    (#    204:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 204, 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
#
#   37 VAL  HN           37 VAL  HA          3.50    (#    205:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 205, nxpk= 20, iat= 592, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 PRO  HD+          37 VAL  HA          2.80    (#    206:20  Unique         2.15, 2.54 A)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 609, 610,
 &end
#
#   37 VAL  MGX          37 VAL  HA          3.50    (#    207:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   77 ASP  HN           76 LYS  HA          4.50    (#    208:20  Unique         3.42, 3.54 A)
 &rst
  ixpk= 208, nxpk= 20, iat=1186,1166, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:209     76 LYS  HA          2.80    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1168,1169,1168,1169,
 &end
#
#    0 AMB  20-2:210      0 AMB  20-1:210    4.50    (#    210:20  Double Ambig)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 373, 462,
 igr2= 375, 427,
 &end
#
#   76 LYS  HN           75 LEU  HA          5.50    (#    211:20  Unique         3.51, 3.57 A)
 &rst
  ixpk= 211, nxpk= 20, iat=1164,1147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 LEU  HN           75 LEU  HA          4.50    (#    212:20  Unique         2.22, 2.77 A)
 &rst
  ixpk= 212, nxpk= 20, iat=1145,1147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 LEU  HB+          75 LEU  HA          3.50    (#    213:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#   78 ILE  HG1-         75 LEU  HA          4.50    (#    214:20  Unique         2.05, 3.53 A)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1208,1209,
 &end
#
#   75 LEU  MDY          75 LEU  HA          2.80    (#    215:20  Unique         2.17, 3.86 A)
 &rst
  ixpk= 215, 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    (#    216:20  Unique         2.19, 3.62 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1211,1212,1213,
 &end
#
#    0 AMB  20-2:217     75 LEU  HA          4.50    (#    217:20  Single Ambig)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1208,1209,1154,1155,1156,1158,1159,1160,
 &end
#
#   19 GLN  HN           19 GLN  HA          3.50    (#    218:20  Unique         2.76, 2.84 A)
 &rst
  ixpk= 218, nxpk= 20, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLN  HB+          19 GLN  HA          2.80    (#    220:20  Unique         2.18, 2.73 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#   19 GLN  HB-          19 GLN  HA          2.80    (#    222:20  Unique         2.18, 2.73 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#    5 ILE  HN           46 VAL  HA          4.50    (#    223:20  Unique         2.73, 2.97 A)
 &rst
  ixpk= 223, nxpk= 20, iat=  70, 736, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:224     46 VAL  HA          2.80    (#    224:20  Single Ambig)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 750, 734,
 &end
#
#    0 AMB  20-2:225     46 VAL  HA          2.80    (#    225:20  Single Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  74, 738,
 &end
#
#   46 VAL  MGY          46 VAL  HA          2.80    (#    226:20  Unique         2.37, 3.49 A)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#    5 ILE  QG2          46 VAL  HA          4.50    (#    227:20  Unique         4.02, 5.14 A)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  76,  77,  78,
 &end
#
#    0 AMB  20-2:228     31 GLU  HA          2.80    (#    228:20  Single Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 507, 508, 507, 508,
 &end
#
#   20 GLY  HN           19 GLN  HA          3.50    (#    229:20  Unique         2.15, 2.32 A)
 &rst
  ixpk= 229, nxpk= 20, iat= 323, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:230     19 GLN  HA          4.50    (#    230:20  Single Ambig)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1280, 330,
 &end
#
#   19 GLN  HG-          19 GLN  HA          3.50    (#    231:20  Unique         2.43, 3.16 A)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 313, 314,
 &end
#
#   83 VAL  MGX          19 GLN  HA          2.80    (#    232:20  Unique         2.29, 4.28 A)
 &rst
  ixpk= 232, 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
#
#   14 GLN  HN           14 GLN  HA          3.50    (#    233:20  Unique         2.75, 2.86 A)
 &rst
  ixpk= 233, nxpk= 20, iat= 224, 226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:234     14 GLN  HA          5.50    (#    234:20  Single Ambig)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 258, 203,
 &end
#
#   15 GLN  HN           14 GLN  HA          4.50    (#    235:20  Unique         3.22, 3.53 A)
 &rst
  ixpk= 235, nxpk= 20, iat= 241, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:236     14 GLN  HA          3.50    (#    236:20  Single Ambig)
 &rst
  ixpk= 236, 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  20-2:237     14 GLN  HA          2.80    (#    237:20  Single Ambig)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 228, 229, 228, 229,
 &end
#
#   78 ILE  HN           75 LEU  HA          4.50    (#    239:20  Unique         2.95, 3.45 A)
 &rst
  ixpk= 239, nxpk= 20, iat=1198,1147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:240      0 AMB  20-1:240    2.80    (#    240:20  Double Ambig)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 638, 639,1149,1150,
 igr2= 636,1147,
 &end
#
#    0 AMB  20-2:241     31 GLU  HA          5.50    (#    241:20  Single Ambig)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 482, 483, 522, 523, 519, 520,
 &end
#
#   32 ARG  HN           31 GLU  HA          4.50    (#    242:20  Unique         3.26, 3.55 A)
 &rst
  ixpk= 242, nxpk= 20, iat= 515, 502, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 GLU  HN           31 GLU  HA          3.50    (#    243:20  Unique         2.92, 2.98 A)
 &rst
  ixpk= 243, nxpk= 20, iat= 500, 502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ARG  HA           31 GLU  HA          5.50    (#    244:20  Unique         4.60, 4.77 A)
 &rst
  ixpk= 244, nxpk= 20, iat= 517, 502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:245     31 GLU  HA          2.80    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 504, 505, 504, 505,
 &end
#
#   61 LEU  HN           61 LEU  HA          3.50    (#    246:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 955, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:247     61 LEU  HA          3.50    (#    247:20  Single Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1004,1005,1007,1008,
 &end
#
#   64 MET  HB-          61 LEU  HA          3.50    (#    248:20  Unique         2.09, 3.00 A)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1004,1005,
 &end
#
#   61 LEU  HG           61 LEU  HA          3.50    (#    249:20  Unique         2.73, 3.13 A)
 &rst
  ixpk= 249, nxpk= 20, iat= 962, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 LEU  HB-          61 LEU  HA          3.50    (#    250:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 959, 960,
 &end
#
#   61 LEU  MDX          61 LEU  HA          2.80    (#    251:20  Unique         2.15, 3.75 A)
 &rst
  ixpk= 251, 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
#
#   41 ASN  HN           40 LYS  HA          4.50    (#    252:20  Unique         3.28, 3.38 A)
 &rst
  ixpk= 252, nxpk= 20, iat= 656, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 LYS  HN           40 LYS  HA          4.50    (#    253:20  Unique         2.77, 2.82 A)
 &rst
  ixpk= 253, nxpk= 20, iat= 634, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ASP  HN           40 LYS  HA          5.50    (#    254:20  Unique         3.28, 3.54 A)
 &rst
  ixpk= 254, nxpk= 20, iat= 670, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:257     40 LYS  HA          4.50    (#    257:20  Single Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1026, 624,
 &end
#
#   40 LYS  HG+          40 LYS  HA          3.50    (#    258:20  Unique         2.49, 3.53 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 641, 642,
 &end
#
#    0 AMB  20-2:259      0 AMB  20-1:259    3.50    (#    259:20  Double Ambig)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 641, 642, 296, 297, 298, 300, 301, 302,
 igr2= 636,1147,
 &end
#
#   40 LYS  HB-          40 LYS  HA          3.50    (#    261:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:262     61 LEU  HA          4.50    (#    262:20  Single Ambig)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1000,1017,
 &end
#
#    5 ILE  HN            4 TRP  HA          2.80    (#    263:20  Unique         2.18, 2.25 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  70,  48, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 TRP  HN            4 TRP  HA          4.50    (#    264:20  Unique         2.91, 2.96 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  46,  48, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HB+           4 TRP  HA          3.50    (#    266:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#    0 AMB  20-2:267      4 TRP  HA          5.50    (#    267:20  Single Ambig)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  80,  81,  80,  81,
 &end
#
#   45 LYS  HB+           4 TRP  HA          3.50    (#    268:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 716, 717,
 &end
#
#    0 AMB  20-2:270      4 TRP  HA          4.50    (#    270:20  Single Ambig)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 722, 723, 719, 720, 702, 703, 704, 706, 707, 708,
      
 &end
#
#   33 ILE  HN           32 ARG  HA          4.50    (#    271:20  Unique         3.49, 3.55 A)
 &rst
  ixpk= 271, nxpk= 20, iat= 539, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 ARG  HN           32 ARG  HA          3.50    (#    272:20  Unique         2.74, 2.89 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 515, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:273     32 ARG  HA          4.50    (#    273:20  Single Ambig)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:274     32 ARG  HA          2.80    (#    274:20  Single Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 522, 523, 519, 520,
 &end
#
#   32 ARG  HG-          32 ARG  HA          2.80    (#    275:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 522, 523,
 &end
#
#    0 AMB  20-2:276     32 ARG  HA          5.50    (#    276:20  Single Ambig)
 &rst
  ixpk= 276, 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
#
#   35 THR  HN           32 ARG  HA          5.50    (#    277:20  Unique         3.35, 3.61 A)
 &rst
  ixpk= 277, nxpk= 20, iat= 568, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:278     32 ARG  HA          5.50    (#    278:20  Single Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:279     47 TYR  HA          2.80    (#    279:20  Single Ambig)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 750,1138,
 &end
#
#   54 SER  HB+          47 TYR  HA          4.50    (#    281:20  Unique         2.10, 2.93 A)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#   47 TYR  HB+          47 TYR  HA          3.50    (#    282:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 754, 755,
 &end
#
#   47 TYR  HB-          47 TYR  HA          3.50    (#    283:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 283, 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    (#    284:20  Unique         2.44, 4.92 A)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1125,1126,1127,
 &end
#
#   54 SER  HB-          47 TYR  HA          4.50    (#    285:20  Unique         2.10, 2.93 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#   78 ILE  QD1          47 TYR  HA          5.50    (#    286:20  Unique         3.42, 5.00 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#   45 LYS  HN            4 TRP  HA          4.50    (#    287:20  Unique         2.68, 3.05 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 712,  48, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:288      4 TRP  HA          4.50    (#    288:20  Single Ambig)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  74, 334, 335, 336,  18,  19,  18,  19,
 &end
#
#    0 AMB  20-2:289     64 MET  HA          3.50    (#    289:20  Single Ambig)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1000,1017,
 &end
#
#   64 MET  HG+          64 MET  HA          3.50    (#    290:20  Unique         2.49, 3.11 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1007,1008,
 &end
#
#    0 AMB  20-2:291     64 MET  HA          2.80    (#    291:20  Single Ambig)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1004,1005,1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HA          3.50    (#    292:20  Unique         2.40, 2.79 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1004,1005,
 &end
#
#    0 AMB  20-2:293     64 MET  HA          4.50    (#    293:20  Single Ambig)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1011,1012,1013, 989, 990, 989, 990,
 &end
#
#   49 ASN  HB+          49 ASN  HA          3.50    (#    294:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 786, 787,
 &end
#
#    0 AMB  20-2:295     49 ASN  HA          3.50    (#    295:20  Single Ambig)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 786, 787, 791, 792,
 &end
#
#   75 LEU  HB+          49 ASN  HA          4.50    (#    296:20  Unique         2.27, 3.38 A)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1149,1150,
 &end
#
#   75 LEU  HB-          49 ASN  HA          4.50    (#    297:20  Unique         2.27, 3.38 A)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1149,1150,
 &end
#
#    0 AMB  20-2:298     49 ASN  HA          5.50    (#    298:20  Single Ambig)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 127, 128,1140,1141,
 &end
#
#   17 HIS  HN           16 GLU  HA          3.50    (#    299:20  Unique         2.17, 2.28 A)
 &rst
  ixpk= 299, 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    (#    300:20  Unique         2.62, 2.79 A)
 &rst
  ixpk= 300, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HB+          16 GLU  HA          4.50    (#    301:20  Unique         2.31, 2.46 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 262, 263,
 &end
#
#    0 AMB  20-2:302      8 ARG  HA          4.50    (#    302:20  Single Ambig)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125, 124, 125,
 &end
#
#    9 VAL  HN            8 ARG  HA          2.80    (#    303:20  Unique         2.36, 2.53 A)
 &rst
  ixpk= 303, nxpk= 20, iat= 141, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    8 ARG  HB+           8 ARG  HA          3.50    (#    304:20  Unique         2.35, 2.83 A)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 121, 122,
 &end
#
#    8 ARG  HB-           8 ARG  HA          3.50    (#    305:20  Unique         2.35, 2.83 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 121, 122,
 &end
#
#    9 VAL  MGY           8 ARG  HA          5.50    (#    306:20  Unique         4.02, 5.17 A)
 &rst
  ixpk= 306, 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
#
#    9 VAL  MGX           8 ARG  HA          5.50    (#    307:20  Unique         4.02, 5.17 A)
 &rst
  ixpk= 307, 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  20-2:308     28 GLU  HA          3.50    (#    308:20  Single Ambig)
 &rst
  ixpk= 308, 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          4.50    (#    309:20  Unique         3.30, 3.44 A)
 &rst
  ixpk= 309, nxpk= 20, iat= 462, 449, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:310     28 GLU  HA          5.50    (#    310:20  Single Ambig)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 507, 508, 507, 508,
 &end
#
#    0 AMB  20-2:311     28 GLU  HA          2.80    (#    311:20  Single Ambig)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 451, 452, 454, 455,
 &end
#
#    0 AMB  20-2:312     28 GLU  HA          3.50    (#    312:20  Single Ambig)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 454, 455, 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:313     28 GLU  HA          3.50    (#    313:20  Single Ambig)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 451, 452, 482, 483,
 &end
#
#   84 LYS  HN           84 LYS  HA          3.50    (#    314:20  Unique         2.83, 2.90 A)
 &rst
  ixpk= 314, nxpk= 20, iat=1296,1298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 GLY  HN           84 LYS  HA          2.80    (#    315:20  Unique         2.21, 2.31 A)
 &rst
  ixpk= 315, nxpk= 20, iat=1318,1298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 LYS  HB+          84 LYS  HA          2.80    (#    316:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1300,1301,
 &end
#
#    0 AMB  20-2:317     84 LYS  HA          3.50    (#    317:20  Single Ambig)
 &rst
  ixpk= 317, 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
#
#    0 AMB  20-2:318     84 LYS  HA          3.50    (#    318:20  Single Ambig)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1303,1304,1303,1304,
 &end
#
#   16 GLU  HB+          84 LYS  HA          5.50    (#    319:20  Unique         2.50, 4.01 A)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 262, 263,
 &end
#
#    0 AMB  20-2:320      0 AMB  20-1:320    4.50    (#    320:20  Double Ambig)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 670, 500,
 igr2= 672, 449,
 &end
#
#   58 LYS  HN           57 ALA  HA          3.50    (#    321:20  Unique         3.54, 3.55 A)
 &rst
  ixpk= 321, nxpk= 20, iat= 899, 891, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 ILE  HN           57 ALA  HA          4.50    (#    322:20  Unique         3.22, 3.36 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 936, 891, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HN           57 ALA  HA          5.50    (#    323:20  Unique         4.53, 4.62 A)
 &rst
  ixpk= 323, nxpk= 20, iat= 921, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:324     57 ALA  HA          5.50    (#    324:20  Single Ambig)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 876, 877, 925, 926, 925, 926,
 &end
#
#   60 ILE  HB           57 ALA  HA          2.80    (#    325:20  Unique         2.21, 2.33 A)
 &rst
  ixpk= 325, nxpk= 20, iat= 940, 891, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 ALA  MB           57 ALA  HA          2.80    (#    326:20  Unique         2.44, 2.65 A)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 893, 894, 895,
 &end
#
#    0 AMB  20-2:327     57 ALA  HA          2.80    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 949, 950, 951, 415, 416, 417, 419, 420, 421,
 &end
#
#   61 LEU  MDY          57 ALA  HA          5.50    (#    328:20  Unique         4.33, 6.01 A)
 &rst
  ixpk= 328, 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
#
#    0 AMB  20-2:329     57 ALA  HA          5.50    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 876, 877, 879, 880,
 &end
#
#   60 ILE  HG1+         57 ALA  HA          4.50    (#    330:20  Unique         3.42, 4.20 A)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 946, 947,
 &end
#
#   43 THR  HN           42 ASP  HA          2.80    (#    331:20  Unique         2.17, 2.32 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 682, 672, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 ASP  HB+          42 ASP  HA          4.50    (#    332:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 674, 675,
 &end
#
#   42 ASP  HB-          42 ASP  HA          3.50    (#    333:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#    0 AMB  20-2:335      2 GLU  HA          2.80    (#    335:20  Single Ambig)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  29, 682,
 &end
#
#   43 THR  HB            2 GLU  HA          2.80    (#    336:20  Unique         2.08, 2.28 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 686,  16, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:337      2 GLU  HA          3.50    (#    337:20  Single Ambig)
 &rst
  ixpk= 337, 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  20-2:338      2 GLU  HA          2.80    (#    338:20  Single Ambig)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  18,  19,  18,  19,
 &end
#
#   43 THR  MG2           0 AMB  20-1:339    4.50    (#    339:20  Single Ambig)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690,
 igr2=  16,1061,
 &end
#
#   77 ASP  HN           77 ASP  HA          5.50    (#    341:20  Unique         2.80, 2.90 A)
 &rst
  ixpk= 341, nxpk= 20, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ASP  HB+          77 ASP  HA          4.50    (#    342:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1190,1191,
 &end
#
#   37 VAL  HN           34 ALA  HA          4.50    (#    343:20  Unique         3.36, 3.93 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 592, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ALA  HN           34 ALA  HA          4.50    (#    344:20  Unique         2.79, 2.83 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 558, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 THR  HN           34 ALA  HA          4.50    (#    345:20  Unique         3.43, 3.54 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 568, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 ALA  HN           34 ALA  HA          5.50    (#    346:20  Unique         3.70, 4.45 A)
 &rst
  ixpk= 346, nxpk= 20, iat= 582, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:347     34 ALA  HA          5.50    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 615, 616, 596,
 &end
#
#   33 ILE  QG2          34 ALA  HA          4.50    (#    348:20  Unique         3.46, 4.58 A)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 545, 546, 547,
 &end
#
#   82 LYS  HN           82 LYS  HA          5.50    (#    350:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 350, nxpk= 20, iat=1258,1260, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ASP  HB-          77 ASP  HA          5.50    (#    352:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1190,1191,
 &end
#
#   68 HIS  HN           68 HIS  HA          4.50    (#    353:20  Unique         2.21, 2.90 A)
 &rst
  ixpk= 353, nxpk= 20, iat=1059,1061, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  HN           68 HIS  HA          2.80    (#    354:20  Unique         2.15, 2.52 A)
 &rst
  ixpk= 354, nxpk= 20, iat=1076,1061, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 HIS  HB+          68 HIS  HA          3.50    (#    355:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1063,1064,
 &end
#
#    0 AMB  20-2:356     68 HIS  HA          4.50    (#    356:20  Single Ambig)
 &rst
  ixpk= 356, 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
#
#   71 ASN  HB+          70 GLU  HA          5.50    (#    357:20  Unique         4.40, 4.70 A)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1111,1112,
 &end
#
#    0 AMB  20-2:358     70 GLU  HA          4.50    (#    358:20  Single Ambig)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1,1094, 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, 740, 741, 742, 744, 745, 746,
 &end
#
#   70 GLU  HN           70 GLU  HA          3.50    (#    359:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 359, 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    (#    360:20  Unique         2.17, 2.25 A)
 &rst
  ixpk= 360, nxpk= 20, iat=1107,1094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:361     70 GLU  HA          3.50    (#    361:20  Single Ambig)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1099,1100,1099,1100,
 &end
#
#   70 GLU  HB+          70 GLU  HA          3.50    (#    362:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1096,1097,
 &end
#
#   70 GLU  HB-          70 GLU  HA          3.50    (#    363:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1096,1097,
 &end
#
#   37 VAL  HN           36 ALA  HA          4.50    (#    364:20  Unique         3.54, 3.58 A)
 &rst
  ixpk= 364, nxpk= 20, iat= 592, 584, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 PRO  HD-          36 ALA  HA          5.50    (#    365:20  Unique         3.77, 4.84 A)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   36 ALA  MB           36 ALA  HA          2.80    (#    366:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 586, 587, 588,
 &end
#
#   22 ILE  QD1          36 ALA  HA          5.50    (#    367:20  Unique         3.69, 4.71 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 353, 354, 355,
 &end
#
#    0 AMB  20-2:368     36 ALA  HA          5.50    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 386, 387, 388,  83,  84,  85, 552, 553, 554,
 &end
#
#   37 VAL  MGX          36 ALA  HA          5.50    (#    369:20  Unique         4.32, 6.15 A)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:370     70 GLU  HA          4.50    (#    370:20  Single Ambig)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 909, 910, 903, 904,
 &end
#
#   41 ASN  HN           39 ASP  HA          5.50    (#    371:20  Unique         3.32, 3.59 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 656, 624, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   39 ASP  HN           39 ASP  HA          3.50    (#    372:20  Unique         2.90, 2.94 A)
 &rst
  ixpk= 372, nxpk= 20, iat= 622, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 ASP  HB+          39 ASP  HA          3.50    (#    373:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 373, 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          3.50    (#    374:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 626, 627,
 &end
#
#   40 LYS  HB-          39 ASP  HA          4.50    (#    375:20  Unique         4.32, 5.21 A)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:376     39 ASP  HA          4.50    (#    376:20  Single Ambig)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 641, 642, 644, 645,
 &end
#
#    0 AMB  20-2:377     72 ALA  HA          5.50    (#    377:20  Single Ambig)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 716, 717,1211,1212,1213,
 &end
#
#   72 ALA  HN           72 ALA  HA          3.50    (#    378:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 378, nxpk= 20, iat=1121,1123, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ALA  MB           72 ALA  HA          2.80    (#    380:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1125,1126,1127,
 &end
#
#    4 TRP  HN           21 ALA  HA          4.50    (#    381:20  Unique         3.64, 4.22 A)
 &rst
  ixpk= 381, 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    (#    382:20  Unique         2.09, 2.26 A)
 &rst
  ixpk= 382, nxpk= 20, iat= 340, 332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   21 ALA  HN           21 ALA  HA          3.50    (#    383:20  Unique         2.85, 2.93 A)
 &rst
  ixpk= 383, 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    (#    384:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 334, 335, 336,
 &end
#
#    0 AMB  20-2:385     21 ALA  HA          3.50    (#    385:20  Single Ambig)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  50,  51,  50,  51,
 &end
#
#    2 GLU  HN            1 ALA  HA          2.80    (#    386:20  Unique         2.18, 2.52 A)
 &rst
  ixpk= 386, nxpk= 20, iat=  14,   6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:388      1 ALA  HA          5.50    (#    388:20  Single Ambig)
 &rst
  ixpk= 388, 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  20-2:389      1 ALA  HA          4.50    (#    389:20  Single Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  18,  19,  18,  19,
 &end
#
#    1 ALA  MB            1 ALA  HA          2.80    (#    390:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=   8,   9,  10,
 &end
#
#    6 ASP  HN            6 ASP  HA          4.50    (#    391:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 391, nxpk= 20, iat=  89,  91, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HN            6 ASP  HA          4.50    (#    392:20  Unique         2.91, 3.30 A)
 &rst
  ixpk= 392, nxpk= 20, iat= 750,  91, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HN            6 ASP  HA          2.80    (#    393:20  Unique         2.16, 2.22 A)
 &rst
  ixpk= 393, nxpk= 20, iat= 101,  91, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  MGY           6 ASP  HA          4.50    (#    395:20  Unique         3.42, 4.88 A)
 &rst
  ixpk= 395, 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
#
#    6 ASP  HB+           6 ASP  HA          4.50    (#    396:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  93,  94,
 &end
#
#    6 ASP  HB-           6 ASP  HA          3.50    (#    397:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  93,  94,
 &end
#
#    0 AMB  20-2:398      6 ASP  HA          4.50    (#    398:20  Single Ambig)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 107, 108, 109, 111, 112, 113,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   11 GLU  HN            0 AMB  20-1:399    4.50    (#    399:20  Single Ambig)
 &rst
  ixpk= 399, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  HA            0 AMB  20-1:400    2.80    (#    400:20  Single Ambig)
 &rst
  ixpk= 400, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  HB            0 AMB  20-1:401    2.80    (#    401:20  Single Ambig)
 &rst
  ixpk= 401, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 158, 159, 158, 159,
 &end
#
#    0 AMB  20-2:402      0 AMB  20-1:402    4.50    (#    402:20  Double Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 164, 165, 164, 165,
 igr2= 158, 159, 158, 159,
 &end
#
#    0 AMB  20-2:403      0 AMB  20-1:403    2.80    (#    403:20  Double Ambig)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 161, 162, 161, 162, 399, 400,
 igr2= 158, 159, 158, 159, 158, 159,
 &end
#
#    0 AMB  20-2:404      0 AMB  20-1:404    2.80    (#    404:20  Double Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 161, 162, 396, 397,
 igr2= 158, 159, 158, 159, 158, 159,
 &end
#
#   25 PRO  HB-           0 AMB  20-1:405    5.50    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 399, 400,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  MGY           0 AMB  20-1:406    3.50    (#    406:20  Single Ambig)
 &rst
  ixpk= 406, 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  MGX           0 AMB  20-1:407    4.50    (#    407:20  Single Ambig)
 &rst
  ixpk= 407, 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= 158, 159, 158, 159,
 &end
#
#   79 ALA  HN           79 ALA  HA          3.50    (#    408:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 408, nxpk= 20, iat=1217,1219, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 MET  HN           79 ALA  HA          2.80    (#    409:20  Unique         2.52, 2.69 A)
 &rst
  ixpk= 409, nxpk= 20, iat=1227,1219, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 ILE  HA           79 ALA  HA          4.50    (#    410:20  Unique         4.36, 4.43 A)
 &rst
  ixpk= 410, nxpk= 20, iat=1200,1219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 ALA  MB           79 ALA  HA          2.80    (#    411:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1221,1222,1223,
 &end
#
#   78 ILE  QG2          79 ALA  HA          4.50    (#    412:20  Unique         3.93, 5.34 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1204,1205,1206,
 &end
#
#   80 MET  HB-          81 PRO  HD+         5.50    (#    413:20  Unique         2.07, 3.61 A)
 &rst
  ixpk= 413, 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    (#    414:20  Unique         2.06, 2.48 A)
 &rst
  ixpk= 414, 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+         4.50    (#    415:20  Unique         2.81, 3.69 A)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1251,1252,
 igr2=1245,1246,
 &end
#
#   81 PRO  HG-          81 PRO  HD+         2.80    (#    416:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1248,1249,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:417      0 AMB  20-1:417    3.50    (#    417:20  Double Ambig)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
 igr1=1231,1232,1238,1239,1240,1251,1252,
 igr2=1245,1246,1245,1246,1245,1246,
 &end
#
#   80 MET  HA           81 PRO  HD-         2.80    (#    418:20  Unique         2.06, 2.48 A)
 &rst
  ixpk= 418, 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-         4.50    (#    419:20  Unique         2.81, 3.69 A)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1251,1252,
 igr2=1245,1246,
 &end
#
#   81 PRO  HG+          81 PRO  HD-         2.80    (#    420:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1248,1249,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:421     81 PRO  HD-         2.80    (#    421:20  Single Ambig)
 &rst
  ixpk= 421, 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
#
#   80 MET  HB-          81 PRO  HD-         4.50    (#    422:20  Unique         2.07, 3.61 A)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1231,1232,
 igr2=1245,1246,
 &end
#
#   18 VAL  MGX          81 PRO  HD-         5.50    (#    423:20  Unique         4.17, 7.06 A)
 &rst
  ixpk= 423, 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=1245,1246,
 &end
#
#    0 AMB  20-2:424      0 AMB  20-1:424    2.80    (#    424:20  Double Ambig)
 &rst
  ixpk= 424, 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
#
#   25 PRO  HB-          25 PRO  HD+         4.50    (#    425:20  Unique         2.73, 3.66 A)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 399, 400,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:426      0 AMB  20-1:426    4.50    (#    426:20  Double Ambig)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 393, 394, 393, 394,
 &end
#
#   25 PRO  HB-          25 PRO  HD-         4.50    (#    427:20  Unique         2.73, 3.66 A)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 399, 400,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:428     25 PRO  HD-         4.50    (#    428:20  Single Ambig)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 393, 394,
 &end
#
#   24 ILE  HA           25 PRO  HD+         3.50    (#    429:20  Unique         2.22, 2.44 A)
 &rst
  ixpk= 429, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:430      0 AMB  20-1:430    5.50    (#    430:20  Double Ambig)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 582, 368, 369,
 igr2= 609, 610, 393, 394,
 &end
#
#    0 AMB  20-2:431      0 AMB  20-1:431    2.80    (#    431:20  Double Ambig)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 594, 375,
 igr2= 609, 610, 393, 394,
 &end
#
#   38 PRO  HA           38 PRO  HD+         5.50    (#    432:20  Unique         3.44, 3.79 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:433      0 AMB  20-1:433    2.80    (#    433:20  Double Ambig)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 612, 613, 612, 613, 396, 397,
 igr2= 609, 610, 393, 394,
 &end
#
#   37 VAL  MGY          38 PRO  HD-         5.50    (#    434:20  Unique         3.17, 5.30 A)
 &rst
  ixpk= 434, 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= 609, 610,
 &end
#
#   37 VAL  MGX          38 PRO  HD-         5.50    (#    435:20  Unique         3.17, 5.30 A)
 &rst
  ixpk= 435, 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= 609, 610,
 &end
#
#   37 VAL  HN           38 PRO  HD+         4.50    (#    436:20  Unique         3.01, 3.79 A)
 &rst
  ixpk= 436, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   39 ASP  HN           38 PRO  HD+         4.50    (#    437:20  Unique         2.51, 3.41 A)
 &rst
  ixpk= 437, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   38 PRO  HB+          38 PRO  HD+         4.50    (#    438:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 438, 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  20-2:439      0 AMB  20-1:439    2.80    (#    439:20  Double Ambig)
 &rst
  ixpk= 439, 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  MGY          38 PRO  HD+         4.50    (#    440:20  Unique         3.17, 5.30 A)
 &rst
  ixpk= 440, 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
#
#   37 VAL  MGX          38 PRO  HD+         5.50    (#    441:20  Unique         3.17, 5.30 A)
 &rst
  ixpk= 441, 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= 609, 610,
 &end
#
#   37 VAL  HA           38 PRO  HD+         2.80    (#    442:20  Unique         2.15, 2.54 A)
 &rst
  ixpk= 442, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 609, 610,
 &end
#
#   37 VAL  HN           38 PRO  HD-         4.50    (#    443:20  Unique         3.01, 3.79 A)
 &rst
  ixpk= 443, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   39 ASP  HN           38 PRO  HD-         5.50    (#    444:20  Unique         2.51, 3.41 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   38 PRO  HA           38 PRO  HD-         4.50    (#    445:20  Unique         3.44, 3.79 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   38 PRO  HB+          38 PRO  HD-         3.50    (#    446:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 615, 616,
 igr2= 609, 610,
 &end
#
#   36 ALA  HA           38 PRO  HD+         5.50    (#    447:20  Unique         3.77, 4.84 A)
 &rst
  ixpk= 447, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   55 GLY  HN           55 GLY  HA+         2.80    (#    448:20  Unique         2.24, 2.56 A)
 &rst
  ixpk= 448, nxpk= 20, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 867, 868,
 &end
#
#   58 LYS  HN           55 GLY  HA+         5.50    (#    449:20  Unique         2.94, 3.71 A)
 &rst
  ixpk= 449, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#   58 LYS  HB-          55 GLY  HA+         4.50    (#    450:20  Unique         2.17, 3.53 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2= 867, 868,
 &end
#
#   55 GLY  HN           55 GLY  HA-         2.80    (#    451:20  Unique         2.24, 2.56 A)
 &rst
  ixpk= 451, nxpk= 20, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 867, 868,
 &end
#
#   52 ARG  HN           55 GLY  HA+         5.50    (#    453:20  Unique         5.74, 6.44 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#   58 LYS  HB+          55 GLY  HA+         4.50    (#    455:20  Unique         2.17, 3.53 A)
 &rst
  ixpk= 455, 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  HB-          55 GLY  HA+         4.50    (#    456:20  Unique         2.29, 4.12 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2= 867, 868,
 &end
#
#   71 ASN  HB-          55 GLY  HA-         4.50    (#    457:20  Unique         2.29, 4.12 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2= 867, 868,
 &end
#
#   52 ARG  HN           55 GLY  HA-         5.50    (#    459:20  Unique         5.74, 6.44 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#   58 LYS  HB+          55 GLY  HA-         3.50    (#    460:20  Unique         2.17, 3.53 A)
 &rst
  ixpk= 460, 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-         4.50    (#    461:20  Unique         2.17, 3.53 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2= 867, 868,
 &end
#
#   85 GLY  HN           85 GLY  HA+         3.50    (#    463:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 463, 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-         2.80    (#    464:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 464, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:466      0 AMB  20-1:466    3.50    (#    466:20  Double Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1140,1141,1123,
 igr2=1133,1134,1133,1134,
 &end
#
#   74 GLY  HN           73 GLY  HA+         2.80    (#    468:20  Unique         2.17, 2.82 A)
 &rst
  ixpk= 468, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1133,1134,
 &end
#
#   74 GLY  HN           73 GLY  HA-         3.50    (#    469:20  Unique         2.17, 2.82 A)
 &rst
  ixpk= 469, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1133,1134,
 &end
#
#   51 GLY  HA+          73 GLY  HA-         4.50    (#    471:20  Unique         2.33, 4.36 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 808, 809,
 igr2=1133,1134,
 &end
#
#   52 ARG  HN           51 GLY  HA+         4.50    (#    474:20  Unique         2.64, 3.23 A)
 &rst
  ixpk= 474, nxpk= 20, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 808, 809,
 &end
#
#   73 GLY  HA-          51 GLY  HA+         4.50    (#    476:20  Unique         2.33, 4.36 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1133,1134,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:482      0 AMB  20-1:482    5.50    (#    482:20  Double Ambig)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 313, 314, 313, 314,
 igr2= 325, 326, 325, 326,
 &end
#
#   20 GLY  HN           20 GLY  HA+         3.50    (#    483:20  Unique         2.29, 2.68 A)
 &rst
  ixpk= 483, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 325, 326,
 &end
#
#   20 GLY  HN           20 GLY  HA-         3.50    (#    484:20  Unique         2.29, 2.68 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 325, 326,
 &end
#
#   21 ALA  HN           20 GLY  HA-         4.50    (#    485:20  Unique         2.72, 3.32 A)
 &rst
  ixpk= 485, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 325, 326,
 &end
#
#   19 GLN  HG+          20 GLY  HA-         5.50    (#    486:20  Unique         3.72, 5.59 A)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 313, 314,
 igr2= 325, 326,
 &end
#
#   66 TYR  HN           65 GLY  HA+         4.50    (#    488:20  Unique         2.69, 3.32 A)
 &rst
  ixpk= 488, 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+         2.80    (#    489:20  Unique         2.27, 2.63 A)
 &rst
  ixpk= 489, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1019,1020,
 &end
#
#    0 AMB  20-2:490      0 AMB  20-1:490    5.50    (#    490:20  Double Ambig)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 647, 648, 647, 648,
 igr2=1019,1020,1019,1020,
 &end
#
#    0 AMB  20-2:491      0 AMB  20-1:491    3.50    (#    491:20  Double Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 644, 645,1051,1052,1053,
 igr2=1019,1020,1019,1020,
 &end
#
#   66 TYR  HN           65 GLY  HA-         4.50    (#    492:20  Unique         2.69, 3.32 A)
 &rst
  ixpk= 492, 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-         2.80    (#    493:20  Unique         2.27, 2.63 A)
 &rst
  ixpk= 493, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1019,1020,
 &end
#
#    0 AMB  20-2:494     65 GLY  HA-         4.50    (#    494:20  Single Ambig)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 644, 645,1051,1052,1053,
 igr2=1019,1020,
 &end
#
#    0 AMB  20-2:495      0 AMB  20-1:495    2.80    (#    495:20  Double Ambig)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1138, 330,
 igr2=1140,1141, 325, 326,
 &end
#
#    0 AMB  20-2:496      0 AMB  20-1:496    4.50    (#    496:20  Double Ambig)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 784, 332,
 igr2=1140,1141, 325, 326,
 &end
#
#    0 AMB  20-2:497      0 AMB  20-1:497    4.50    (#    497:20  Double Ambig)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
 igr1= 310, 311,1149,1150, 800, 801, 802,
 igr2= 325, 326,1140,1141,1140,1141,
 &end
#
#   75 LEU  HN           74 GLY  HA+         2.80    (#    498:20  Unique         2.17, 2.63 A)
 &rst
  ixpk= 498, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1140,1141,
 &end
#
#   74 GLY  HN           74 GLY  HA-         2.80    (#    500:20  Unique         2.24, 2.68 A)
 &rst
  ixpk= 500, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:501      0 AMB  20-1:501    4.50    (#    501:20  Double Ambig)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 800, 801, 802,1149,1150,
 igr2= 127, 128, 127, 128,1140,1141,
 &end
#
#   75 LEU  HN           74 GLY  HA-         3.50    (#    502:20  Unique         2.17, 2.63 A)
 &rst
  ixpk= 502, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1140,1141,
 &end
#
#    9 VAL  HN            8 ARG  HD+         4.50    (#    505:20  Unique         3.42, 4.31 A)
 &rst
  ixpk= 505, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 127, 128,
 &end
#
#   12 GLN  HN            8 ARG  HD+         5.50    (#    506:20  Unique         3.86, 5.32 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:507      0 AMB  20-1:507    3.50    (#    507:20  Double Ambig)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 124, 125, 124, 125,
 igr2= 127, 128, 127, 128,
 &end
#
#    9 VAL  HN            8 ARG  HD-         4.50    (#    509:20  Unique         3.42, 4.31 A)
 &rst
  ixpk= 509, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 127, 128,
 &end
#
#   53 GLN  HB-           8 ARG  HD-         4.50    (#    510:20  Unique         4.22, 5.93 A)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 841, 842,
 igr2= 127, 128,
 &end
#
#   71 ASN  HD2-         74 GLY  HA-         5.50    (#    511:20  Unique         3.70, 6.59 A)
 &rst
  ixpk= 511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:512      0 AMB  20-1:512    3.50    (#    512:20  Double Ambig)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 121, 122, 190, 191, 190, 191,
 igr2= 127, 128, 127, 128, 127, 128,
 &end
#
#    8 ARG  HB-           8 ARG  HD+         3.50    (#    513:20  Unique         2.30, 2.83 A)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 121, 122,
 igr2= 127, 128,
 &end
#
#   12 GLN  HN            8 ARG  HD-         4.50    (#    514:20  Unique         3.86, 5.32 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 127, 128,
 &end
#
#    8 ARG  HB+           8 ARG  HD-         3.50    (#    517:20  Unique         2.30, 2.83 A)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 121, 122,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:518      8 ARG  HD-         3.50    (#    518:20  Single Ambig)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 124, 125, 124, 125,
 igr2= 127, 128,
 &end
#
#   29 VAL  HN           32 ARG  HD+         4.50    (#    519:20  Unique         4.63, 5.45 A)
 &rst
  ixpk= 519, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 525, 526,
 &end
#
#   32 ARG  HA           32 ARG  HD+         4.50    (#    521:20  Unique         4.41, 4.66 A)
 &rst
  ixpk= 521, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:522      0 AMB  20-1:522    3.50    (#    522:20  Double Ambig)
 &rst
  ixpk= 522, 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  20-2:523      0 AMB  20-1:523    2.80    (#    523:20  Double Ambig)
 &rst
  ixpk= 523, 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
#
#   32 ARG  HG-          32 ARG  HD+         2.80    (#    524:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 522, 523,
 igr2= 525, 526,
 &end
#
#   24 ILE  QG2          32 ARG  HD+         3.50    (#    525:20  Unique         2.25, 3.79 A)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 379, 380, 381,
 igr2= 525, 526,
 &end
#
#   32 ARG  HA           32 ARG  HD-         4.50    (#    526:20  Unique         4.41, 4.66 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 525, 526,
 &end
#
#   29 VAL  HN           32 ARG  HD-         4.50    (#    527:20  Unique         4.63, 5.45 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:529     32 ARG  HD-         3.50    (#    529:20  Single Ambig)
 &rst
  ixpk= 529, 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  20-2:530     32 ARG  HD-         4.50    (#    530:20  Single Ambig)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 454, 455, 504, 505, 504, 505,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:531     32 ARG  HD-         2.80    (#    531:20  Single Ambig)
 &rst
  ixpk= 531, 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-         2.80    (#    532:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 522, 523,
 igr2= 525, 526,
 &end
#
#   24 ILE  QG2          32 ARG  HD-         3.50    (#    533:20  Unique         2.25, 3.79 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 379, 380, 381,
 igr2= 525, 526,
 &end
#
#   24 ILE  HN            6 ASP  HB+         3.50    (#    534:20  Unique         3.55, 4.41 A)
 &rst
  ixpk= 534, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#   23 ASN  HD2-          6 ASP  HB+         4.50    (#    536:20  Unique         2.73, 4.50 A)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 368, 369,
 igr2=  93,  94,
 &end
#
#    6 ASP  HA            6 ASP  HB+         4.50    (#    537:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  91,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  93,  94,
 &end
#
#   21 ALA  MB            6 ASP  HB+         4.50    (#    538:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 334, 335, 336,
 igr2=  93,  94,
 &end
#
#   24 ILE  HN            6 ASP  HB-         4.50    (#    539:20  Unique         3.55, 4.41 A)
 &rst
  ixpk= 539, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  93,  94,
 &end
#
#    6 ASP  HN            6 ASP  HB+         3.50    (#    540:20  Unique         2.18, 2.67 A)
 &rst
  ixpk= 540, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#    7 VAL  HN            6 ASP  HB+         4.50    (#    541:20  Unique         4.03, 4.28 A)
 &rst
  ixpk= 541, nxpk= 20, iat= 101,  -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    (#    542:20  Unique         2.10, 3.07 A)
 &rst
  ixpk= 542, 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    (#    544:20  Unique         2.18, 2.67 A)
 &rst
  ixpk= 544, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#    7 VAL  HN            6 ASP  HB-         4.50    (#    545:20  Unique         4.03, 4.28 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  93,  94,
 &end
#
#   12 GLN  HE2-          6 ASP  HB-         4.50    (#    546:20  Unique         2.72, 4.02 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 198, 199,
 igr2=  93,  94,
 &end
#
#   23 ASN  HD2-          6 ASP  HB-         5.50    (#    548:20  Unique         2.73, 4.50 A)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2=  93,  94,
 &end
#
#    6 ASP  HA            6 ASP  HB-         3.50    (#    550:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 550, nxpk= 20, iat=  91,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  93,  94,
 &end
#
#   21 ALA  MB            6 ASP  HB-         3.50    (#    551:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 551, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 334, 335, 336,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:552      0 AMB  20-1:552    3.50    (#    552:20  Double Ambig)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 750,1138,
 igr2= 754, 755, 754, 755,
 &end
#
#   78 ILE  HN           47 TYR  HB+         4.50    (#    554:20  Unique         4.73, 5.19 A)
 &rst
  ixpk= 554, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 754, 755,
 &end
#
#   47 TYR  HA           47 TYR  HB+         3.50    (#    556:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 556, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#   72 ALA  MB           47 TYR  HB+         3.50    (#    557:20  Unique         2.19, 4.23 A)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1125,1126,1127,
 igr2= 754, 755,
 &end
#
#   78 ILE  QD1          47 TYR  HB+         3.50    (#    558:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 558, 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
#
#   52 ARG  HA            0 AMB  20-1:559    3.50    (#    559:20  Single Ambig)
 &rst
  ixpk= 559, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 823, 824, 823, 824,
 &end
#
#    0 AMB  20-2:560      0 AMB  20-1:560    3.50    (#    560:20  Double Ambig)
 &rst
  ixpk= 560, 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  20-2:561      0 AMB  20-1:561    2.80    (#    561:20  Double Ambig)
 &rst
  ixpk= 561, 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
#
#    0 AMB  20-2:563     47 TYR  HB-         3.50    (#    563:20  Single Ambig)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 750,1138,
 igr2= 754, 755,
 &end
#
#   78 ILE  HN           47 TYR  HB-         4.50    (#    565:20  Unique         4.73, 5.19 A)
 &rst
  ixpk= 565, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 754, 755,
 &end
#
#   47 TYR  HA           47 TYR  HB-         3.50    (#    566:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 566, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#   72 ALA  MB           47 TYR  HB-         3.50    (#    567:20  Unique         2.19, 4.23 A)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1125,1126,1127,
 igr2= 754, 755,
 &end
#
#   78 ILE  QD1          47 TYR  HB-         3.50    (#    568:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 568, 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    (#    569:20  Unique         2.56, 3.36 A)
 &rst
  ixpk= 569, 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    (#    570:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 570, 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    (#    571:20  Unique         2.41, 2.75 A)
 &rst
  ixpk= 571, 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    (#    572:20  Unique         3.06, 4.06 A)
 &rst
  ixpk= 572, 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    (#    573:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 573, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 410, 411,
 &end
#
#   26 LEU  MDY          26 LEU  HB+         2.80    (#    574:20  Unique         2.42, 3.33 A)
 &rst
  ixpk= 574, 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
#
#    7 VAL  MGX          26 LEU  HB-         5.50    (#    575:20  Unique         3.10, 5.87 A)
 &rst
  ixpk= 575, 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
#
#   27 LYS  HN           26 LEU  HB-         4.50    (#    576:20  Unique         2.56, 3.36 A)
 &rst
  ixpk= 576, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 410, 411,
 &end
#
#   26 LEU  HN           26 LEU  HB-         3.50    (#    577:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 577, nxpk= 20, iat= 406,  -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    (#    578:20  Unique         3.06, 4.06 A)
 &rst
  ixpk= 578, 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    (#    579:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 579, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 410, 411,
 &end
#
#   26 LEU  MDY          26 LEU  HB-         2.80    (#    580:20  Unique         2.42, 3.33 A)
 &rst
  ixpk= 580, 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
#
#   80 MET  HN           82 LYS  HE+         4.50    (#    581:20  Unique         3.48, 4.79 A)
 &rst
  ixpk= 581, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:582      0 AMB  20-1:582    3.50    (#    582:20  Double Ambig)
 &rst
  ixpk= 582, 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
#
#   75 LEU  MDY          82 LYS  HE+         4.50    (#    583:20  Unique         2.12, 4.82 A)
 &rst
  ixpk= 583, 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
#
#    0 AMB  20-2:584      0 AMB  20-1:584    4.50    (#    584:20  Double Ambig)
 &rst
  ixpk= 584, 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=1271,1272,1271,1272,
 &end
#
#    0 AMB  20-2:586     82 LYS  HE-         2.80    (#    586:20  Single Ambig)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1268,1269,1202,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:587     82 LYS  HE-         3.50    (#    587:20  Single Ambig)
 &rst
  ixpk= 587, 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    (#    588:20  Unique         2.12, 4.82 A)
 &rst
  ixpk= 588, 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-         4.50    (#    589:20  Unique         2.22, 5.05 A)
 &rst
  ixpk= 589, 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  20-2:590      0 AMB  20-1:590    2.80    (#    590:20  Double Ambig)
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
 igr1=1265,1266,1303,1304,1303,1304,1303,1304,1268,1269,
      
 igr2=1271,1272,1309,1310,1309,1310,1309,1310,1271,1272,
      
 &end
#
#   70 GLU  HA           58 LYS  HE+         5.50    (#    592:20  Unique         2.80, 3.94 A)
 &rst
  ixpk= 592, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 912, 913,
 &end
#
#   69 VAL  HB           58 LYS  HE+         4.50    (#    593:20  Unique         1.93, 3.21 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1080,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 912, 913,
 &end
#
#   58 LYS  HD-          58 LYS  HE+         3.50    (#    594:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 909, 910,
 igr2= 912, 913,
 &end
#
#   61 LEU  HB-          58 LYS  HE+         4.50    (#    595:20  Unique         4.85, 6.22 A)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:596      0 AMB  20-1:596    4.50    (#    596:20  Double Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 912, 913, 912, 913,
 &end
#
#   70 GLU  HA           58 LYS  HE-         4.50    (#    597:20  Unique         2.80, 3.94 A)
 &rst
  ixpk= 597, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 912, 913,
 &end
#
#   84 LYS  HA            0 AMB  20-1:598    4.50    (#    598:20  Single Ambig)
 &rst
  ixpk= 598, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1309,1310,1309,1310,
 &end
#
#    0 AMB  20-2:602      0 AMB  20-1:602    2.80    (#    602:20  Double Ambig)
 &rst
  ixpk= 602, 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  20-1:603    3.50    (#    603:20  Single Ambig)
 &rst
  ixpk= 603, 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
#
#    0 AMB  20-2:605      0 AMB  20-1:605    5.50    (#    605:20  Double Ambig)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=  18,  19,  18,  19,
 igr2= 725, 726, 725, 726,
 &end
#
#   43 THR  MG2          45 LYS  HE+         3.50    (#    606:20  Unique         2.39, 4.21 A)
 &rst
  ixpk= 606, 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    (#    607:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 722, 723,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:608      0 AMB  20-1:608    3.50    (#    608:20  Double Ambig)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 722, 723, 719, 720,
 igr2= 725, 726, 725, 726,
 &end
#
#   45 LYS  HG-          45 LYS  HE+         3.50    (#    609:20  Unique         2.38, 2.94 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 719, 720,
 igr2= 725, 726,
 &end
#
#   43 THR  MG2          45 LYS  HE-         3.50    (#    610:20  Unique         2.39, 4.21 A)
 &rst
  ixpk= 610, 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    (#    611:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 722, 723,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:612     45 LYS  HE-         3.50    (#    612:20  Single Ambig)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 722, 723, 719, 720,
 igr2= 725, 726,
 &end
#
#   45 LYS  HG-          45 LYS  HE-         3.50    (#    613:20  Unique         2.38, 2.94 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 719, 720,
 igr2= 725, 726,
 &end
#
#   76 LYS  HN           75 LEU  HB+         3.50    (#    614:20  Unique         2.44, 3.39 A)
 &rst
  ixpk= 614, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1149,1150,
 &end
#
#   75 LEU  HN           75 LEU  HB+         3.50    (#    615:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 615, 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+         4.50    (#    616:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1149,1150,
 &end
#
#   75 LEU  MDX          75 LEU  HB+         3.50    (#    617:20  Unique         2.27, 3.39 A)
 &rst
  ixpk= 617, 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+         4.50    (#    618:20  Unique         2.27, 3.39 A)
 &rst
  ixpk= 618, 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  HN           75 LEU  HB-         3.50    (#    619:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 619, 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    (#    620:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 620, 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    (#    621:20  Unique         2.27, 3.39 A)
 &rst
  ixpk= 621, 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    (#    622:20  Unique         2.27, 3.39 A)
 &rst
  ixpk= 622, 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
#
#   76 LYS  HN           75 LEU  HB-         4.50    (#    623:20  Unique         2.44, 3.39 A)
 &rst
  ixpk= 623, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1149,1150,
 &end
#
#   66 TYR  HA            0 AMB  20-1:624    5.50    (#    624:20  Single Ambig)
 &rst
  ixpk= 624, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  20-2:625      0 AMB  20-1:625    4.50    (#    625:20  Double Ambig)
 &rst
  ixpk= 625, 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
#
#    0 AMB  20-2:626      0 AMB  20-1:626    5.50    (#    626:20  Double Ambig)
 &rst
  ixpk= 626, 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
#
#   74 GLY  HN           77 ASP  HB-         5.50    (#    627:20  Unique         2.53, 3.66 A)
 &rst
  ixpk= 627, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1190,1191,
 &end
#
#    0 AMB  20-2:628      0 AMB  20-1:628    2.80    (#    628:20  Double Ambig)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 482, 483, 435, 436, 435, 436, 435, 436, 909, 910,
      1174,1175,1174,1175,1174,1175, 488, 489, 488, 489,
       488, 489,
 igr2= 491, 492, 491, 492, 438, 439, 438, 439, 438, 439,
       912, 913,1177,1178,1177,1178,1177,1178, 491, 492,
       491, 492,
 &end
#
#    0 AMB  20-2:629      0 AMB  20-1:629    2.80    (#    629:20  Double Ambig)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1= 485, 486, 432, 433, 432, 433, 432, 433,
 igr2= 491, 492, 491, 492, 438, 439, 438, 439, 438, 439,
      
 &end
#
#    0 AMB  20-2:630      0 AMB  20-1:630    3.50    (#    630:20  Double Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
 igr1= 942, 943, 944, 949, 950, 951, 415, 416, 417, 419,
       420, 421,
 igr2= 491, 492, 491, 492, 491, 492, 438, 439,
 &end
#
#   77 ASP  HN           77 ASP  HB+         3.50    (#    631:20  Unique         2.45, 2.56 A)
 &rst
  ixpk= 631, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1190,1191,
 &end
#
#   77 ASP  HN           77 ASP  HB-         2.80    (#    632:20  Unique         2.45, 2.56 A)
 &rst
  ixpk= 632, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1190,1191,
 &end
#
#   78 ILE  HN           77 ASP  HB-         4.50    (#    633:20  Unique         2.75, 3.57 A)
 &rst
  ixpk= 633, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1190,1191,
 &end
#
#   66 TYR  HB-          61 LEU  HB+         4.50    (#    635:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#   62 SER  HN           61 LEU  HB+         4.50    (#    636:20  Unique         2.71, 3.35 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#   61 LEU  HN           61 LEU  HB+         3.50    (#    637:20  Unique         2.30, 3.02 A)
 &rst
  ixpk= 637, 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    (#    638:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 638, 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+         5.50    (#    639:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:640      0 AMB  20-1:640    3.50    (#    640:20  Double Ambig)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 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+         2.80    (#    641:20  Unique         2.38, 3.36 A)
 &rst
  ixpk= 641, 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
#
#   62 SER  HN           61 LEU  HB-         4.50    (#    642:20  Unique         2.71, 3.35 A)
 &rst
  ixpk= 642, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#   61 LEU  HN           61 LEU  HB-         4.50    (#    643:20  Unique         2.30, 3.02 A)
 &rst
  ixpk= 643, 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    (#    645:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 645, 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    (#    646:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 646, 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-         3.50    (#    647:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#   61 LEU  MDY          61 LEU  HB-         2.80    (#    648:20  Unique         2.38, 3.36 A)
 &rst
  ixpk= 648, 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
#
#   42 ASP  HN           42 ASP  HB-         3.50    (#    649:20  Unique         2.32, 2.54 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 670,  -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    (#    651:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 651, 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    (#    652:20  Unique         3.71, 3.93 A)
 &rst
  ixpk= 652, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 674, 675,
 &end
#
#   58 LYS  HA           61 LEU  HB+         4.50    (#    653:20  Unique         2.34, 3.77 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#   61 LEU  HG           61 LEU  HB+         3.50    (#    654:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 654, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#   61 LEU  HG           61 LEU  HB-         3.50    (#    655:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 655, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:656     61 LEU  HB-         2.80    (#    656:20  Single Ambig)
 &rst
  ixpk= 656, 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
#
#    0 AMB  20-2:657     61 LEU  HB-         5.50    (#    657:20  Single Ambig)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 702, 703, 704, 706, 707, 708, 549, 550,
 igr2= 959, 960,
 &end
#
#   58 LYS  HA           61 LEU  HB-         5.50    (#    658:20  Unique         2.34, 3.77 A)
 &rst
  ixpk= 658, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 959, 960,
 &end
#
#   37 VAL  MGY          42 ASP  HB+         2.80    (#    661:20  Unique         2.34, 4.96 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 674, 675,
 &end
#
#   42 ASP  HN           42 ASP  HB+         2.80    (#    662:20  Unique         2.32, 2.54 A)
 &rst
  ixpk= 662, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 674, 675,
 &end
#
#   41 ASN  HN            0 AMB  20-1:663    4.50    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 626, 627, 674, 675,
 &end
#
#    0 AMB  20-2:664      0 AMB  20-1:664    2.80    (#    664:20  Double Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 624, 672,
 igr2= 626, 627, 674, 675,
 &end
#
#   37 VAL  MGY          42 ASP  HB-         3.50    (#    667:20  Unique         2.34, 4.96 A)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 674, 675,
 &end
#
#   44 VAL  MGY          42 ASP  HB-         4.50    (#    668:20  Unique         3.08, 7.07 A)
 &rst
  ixpk= 668, 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
#
#    0 AMB  20-2:669     39 ASP  HB-         4.50    (#    669:20  Single Ambig)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 615, 616, 596,
 igr2= 626, 627,
 &end
#
#   39 ASP  HN           39 ASP  HB+         2.80    (#    670:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 626, 627,
 &end
#
#   39 ASP  HN           39 ASP  HB-         2.80    (#    671:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 626, 627,
 &end
#
#   39 ASP  HA           39 ASP  HB-         2.80    (#    672:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 672, nxpk= 20, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 626, 627,
 &end
#
#   22 ILE  HA           22 ILE  HB          3.50    (#    674:20  Unique         2.43, 2.63 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 342, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1-         22 ILE  HB          2.80    (#    675:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1, 344, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 350, 351,
 &end
#
#   22 ILE  HG1+         22 ILE  HB          3.50    (#    676:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 350, 351,
 &end
#
#   41 ASN  HN           41 ASN  HB+         3.50    (#    679:20  Unique         2.25, 2.68 A)
 &rst
  ixpk= 679, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 660, 661,
 &end
#
#    0 AMB  20-2:680      0 AMB  20-1:680    3.50    (#    680:20  Double Ambig)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 791, 792, 665, 666,
 igr2= 786, 787, 660, 661,
 &end
#
#   42 ASP  HN           41 ASN  HB+         5.50    (#    681:20  Unique         2.96, 3.86 A)
 &rst
  ixpk= 681, 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    (#    682:20  Unique         2.23, 3.39 A)
 &rst
  ixpk= 682, 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  HA           41 ASN  HB+         2.80    (#    683:20  Unique         2.20, 2.72 A)
 &rst
  ixpk= 683, nxpk= 20, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 660, 661,
 &end
#
#   41 ASN  HN           41 ASN  HB-         3.50    (#    684:20  Unique         2.25, 2.68 A)
 &rst
  ixpk= 684, 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    (#    685:20  Unique         2.23, 3.39 A)
 &rst
  ixpk= 685, 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  HA           41 ASN  HB-         3.50    (#    686:20  Unique         2.20, 2.72 A)
 &rst
  ixpk= 686, nxpk= 20, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 660, 661,
 &end
#
#   42 ASP  HN           41 ASN  HB-         4.50    (#    687:20  Unique         2.96, 3.86 A)
 &rst
  ixpk= 687, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 660, 661,
 &end
#
#   41 ASN  HD2-         41 ASN  HB-         4.50    (#    688:20  Unique         2.23, 3.39 A)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#    6 ASP  HN            5 ILE  HB          5.50    (#    689:20  Unique         3.91, 4.11 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  89,  74, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 ILE  HA            5 ILE  HB          3.50    (#    690:20  Unique         3.00, 3.03 A)
 &rst
  ixpk= 690, nxpk= 20, iat=  72,  74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:691      0 AMB  20-1:691    2.80    (#    691:20  Double Ambig)
 &rst
  ixpk= 691, 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    (#    692:20  Unique         2.58, 2.73 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  70,  74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 VAL  HA            5 ILE  HB          4.50    (#    693:20  Unique         2.36, 2.89 A)
 &rst
  ixpk= 693, nxpk= 20, iat= 736,  74, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 ILE  QG2           5 ILE  HB          2.80    (#    694:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  76,  77,  78,
 &end
#
#    0 AMB  20-2:695      0 AMB  20-1:695    5.50    (#    695:20  Double Ambig)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1149,1150, 800, 801, 802,
 igr2= 786, 787, 786, 787,
 &end
#
#   60 ILE  HN           60 ILE  HB          2.80    (#    697:20  Unique         2.36, 2.40 A)
 &rst
  ixpk= 697, nxpk= 20, iat= 936, 940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:698      0 AMB  20-1:698    5.50    (#    698:20  Double Ambig)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 921, 101,
 igr2= 940,  74,
 &end
#
#    0 AMB  20-2:699     60 ILE  HB          4.50    (#    699:20  Single Ambig)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1, 940, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 957, 978, 979, 978, 979,
 &end
#
#   60 ILE  HA           60 ILE  HB          3.50    (#    700:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 700, nxpk= 20, iat= 938, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:701      0 AMB  20-1:701    2.80    (#    701:20  Double Ambig)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 740, 741, 742, 744, 745, 746, 949, 950, 951, 942,
       943, 944,
 igr2=  74, 940,
 &end
#
#   77 ASP  HN           78 ILE  HB          5.50    (#    702:20  Unique         4.16, 4.87 A)
 &rst
  ixpk= 702, nxpk= 20, iat=1186,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  HN           78 ILE  HB          2.80    (#    703:20  Unique         2.17, 2.57 A)
 &rst
  ixpk= 703, nxpk= 20, iat=1198,1202, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 ILE  HA           78 ILE  HB          3.50    (#    704:20  Unique         2.99, 3.03 A)
 &rst
  ixpk= 704, nxpk= 20, iat=1200,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 LYS  HE-          78 ILE  HB          4.50    (#    705:20  Unique         2.75, 3.94 A)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1271,1272,
 &end
#
#   18 VAL  MGY          78 ILE  HB          4.50    (#    706:20  Unique         2.25, 4.20 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    9 VAL  HN           49 ASN  HB+         5.50    (#    708:20  Unique         5.68, 7.01 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 786, 787,
 &end
#
#   49 ASN  HA           49 ASN  HB+         3.50    (#    709:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 709, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 786, 787,
 &end
#
#    9 VAL  HN           49 ASN  HB-         5.50    (#    712:20  Unique         5.68, 7.01 A)
 &rst
  ixpk= 712, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 786, 787,
 &end
#
#   49 ASN  HA           49 ASN  HB-         3.50    (#    713:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 713, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 786, 787,
 &end
#
#    0 AMB  20-2:714     49 ASN  HB-         4.50    (#    714:20  Single Ambig)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1149,1150, 800, 801, 802,
 igr2= 786, 787,
 &end
#
#    0 AMB  20-2:715     78 ILE  HB          2.80    (#    715:20  Single Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1208,1209,1154,1155,1156,1158,1159,1160,
 &end
#
#   82 LYS  HE+          78 ILE  HB          4.50    (#    717:20  Unique         2.75, 3.94 A)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1271,1272,
 &end
#
#   23 ASN  HN           23 ASN  HB+         2.80    (#    718:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2-         23 ASN  HB+         4.50    (#    719:20  Unique         2.42, 3.50 A)
 &rst
  ixpk= 719, 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  HA           23 ASN  HB+         3.50    (#    720:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 720, nxpk= 20, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 363, 364,
 &end
#
#   23 ASN  HN           23 ASN  HB-         3.50    (#    721:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 721, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:722     23 ASN  HB-         5.50    (#    722:20  Single Ambig)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 373, 186,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2-         23 ASN  HB-         5.50    (#    723:20  Unique         2.42, 3.50 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   23 ASN  HA           23 ASN  HB-         3.50    (#    724:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 363, 364,
 &end
#
#    6 ASP  HB+          23 ASN  HB-         5.50    (#    725:20  Unique         3.03, 4.84 A)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  93,  94,
 igr2= 363, 364,
 &end
#
#   24 ILE  HA           24 ILE  HB          4.50    (#    726:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 726, nxpk= 20, iat= 375, 377, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:727     24 ILE  HB          2.80    (#    727:20  Single Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1= 383, 384, 468, 469, 470, 472, 473, 474, 107, 108,
       109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:728     24 ILE  HB          2.80    (#    728:20  Single Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 379, 380, 381,  76,  77,  78, 386, 387, 388,
 &end
#
#   29 VAL  HA           24 ILE  HB          5.50    (#    729:20  Unique         3.74, 4.09 A)
 &rst
  ixpk= 729, nxpk= 20, iat= 464, 377, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  HG1-         24 ILE  HB          2.80    (#    730:20  Unique         2.38, 2.73 A)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 383, 384,
 &end
#
#   33 ILE  HA           33 ILE  HB          2.80    (#    731:20  Unique         2.40, 2.45 A)
 &rst
  ixpk= 731, nxpk= 20, iat= 541, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:732     33 ILE  HB          2.80    (#    732:20  Single Ambig)
 &rst
  ixpk= 732, 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
#
#   34 ALA  HN           33 ILE  HB          4.50    (#    733:20  Unique         3.99, 4.12 A)
 &rst
  ixpk= 733, nxpk= 20, iat= 558, 543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 ILE  HN           33 ILE  HB          2.80    (#    734:20  Unique         2.33, 2.42 A)
 &rst
  ixpk= 734, nxpk= 20, iat= 539, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 VAL  HA           33 ILE  HB          4.50    (#    735:20  Unique         2.90, 3.37 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 464, 543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 ILE  HG1-         33 ILE  HB          3.50    (#    736:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 736, 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    (#    737:20  Unique         2.28, 2.65 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 545, 546, 547,
 &end
#
#   14 GLN  HN           13 TYR  HB+         3.50    (#    738:20  Unique         2.60, 3.44 A)
 &rst
  ixpk= 738, 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+         2.80    (#    740:20  Unique         2.08, 2.47 A)
 &rst
  ixpk= 740, nxpk= 20, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 207, 208,
 &end
#
#   12 GLN  HE2-         13 TYR  HB+         4.50    (#    741:20  Unique         2.72, 5.50 A)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 198, 199,
 igr2= 207, 208,
 &end
#
#   10 PRO  HA           13 TYR  HB+         3.50    (#    743:20  Unique         2.21, 2.89 A)
 &rst
  ixpk= 743, 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    (#    744:20  Unique         2.39, 2.80 A)
 &rst
  ixpk= 744, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:745      0 AMB  20-1:745    5.50    (#    745:20  Double Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 228, 229, 161, 162,
 igr2= 207, 208, 207, 208,
 &end
#
#   14 GLN  HN           13 TYR  HB-         4.50    (#    746:20  Unique         2.60, 3.44 A)
 &rst
  ixpk= 746, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   13 TYR  HN           13 TYR  HB-         2.80    (#    748:20  Unique         2.08, 2.47 A)
 &rst
  ixpk= 748, nxpk= 20, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 207, 208,
 &end
#
#   12 GLN  HE2-         13 TYR  HB-         4.50    (#    749:20  Unique         2.72, 5.50 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 198, 199,
 igr2= 207, 208,
 &end
#
#   10 PRO  HA           13 TYR  HB-         4.50    (#    751:20  Unique         2.21, 2.89 A)
 &rst
  ixpk= 751, 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    (#    752:20  Unique         2.39, 2.80 A)
 &rst
  ixpk= 752, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:753      0 AMB  20-1:753    4.50    (#    753:20  Double Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 193, 194,  93,  94,
 igr2= 207, 208, 207, 208,
 &end
#
#    0 AMB  20-2:754     13 TYR  HB-         3.50    (#    754:20  Single Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 193, 194,  93,  94,
 igr2= 207, 208,
 &end
#
#   71 ASN  HN           71 ASN  HB+         3.50    (#    756:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 756, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1111,1112,
 &end
#
#   71 ASN  HA           71 ASN  HB+         3.50    (#    758:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 758, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1111,1112,
 &end
#
#   55 GLY  HA-          71 ASN  HB+         5.50    (#    759:20  Unique         2.29, 4.12 A)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 867, 868,
 igr2=1111,1112,
 &end
#
#   58 LYS  HB-          71 ASN  HB+         4.50    (#    760:20  Unique         2.37, 3.80 A)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2=1111,1112,
 &end
#
#   71 ASN  HN           71 ASN  HB-         3.50    (#    761:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 761, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1111,1112,
 &end
#
#   46 VAL  MGX          71 ASN  HB-         4.50    (#    763:20  Unique         2.62, 6.05 A)
 &rst
  ixpk= 763, 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
#
#   70 GLU  HA           71 ASN  HB+         5.50    (#    764:20  Unique         4.40, 4.70 A)
 &rst
  ixpk= 764, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1111,1112,
 &end
#
#    0 AMB  20-2:765      0 AMB  20-1:765    4.50    (#    765:20  Double Ambig)
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 909, 910,1096,1097,
 igr2=1111,1112,1111,1112,
 &end
#
#   71 ASN  HA           71 ASN  HB-         3.50    (#    766:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 766, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1111,1112,
 &end
#
#   58 LYS  HB-          71 ASN  HB-         3.50    (#    767:20  Unique         2.37, 3.80 A)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 903, 904,
 igr2=1111,1112,
 &end
#
#   55 GLY  HA-          71 ASN  HB-         4.50    (#    769:20  Unique         2.29, 4.12 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 867, 868,
 igr2=1111,1112,
 &end
#
#   54 SER  HB-          71 ASN  HB-         4.50    (#    770:20  Unique         3.03, 4.82 A)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 858, 859,
 igr2=1111,1112,
 &end
#
#   17 HIS  HN           16 GLU  HG+         4.50    (#    771:20  Unique         2.92, 4.34 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:772      0 AMB  20-1:772    2.80    (#    772:20  Double Ambig)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 262, 263, 245, 246, 245, 246,
 igr2= 265, 266, 265, 266, 265, 266,
 &end
#
#    0 AMB  20-2:773      0 AMB  20-1:773    2.80    (#    773:20  Double Ambig)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1262,1263,1268,1269,
 igr2= 265, 266, 265, 266,
 &end
#
#   16 GLU  HA           16 GLU  HG+         3.50    (#    774:20  Unique         2.47, 3.83 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
#
#    0 AMB  20-2:775      0 AMB  20-1:775    3.50    (#    775:20  Double Ambig)
 &rst
  ixpk= 775, 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= 265, 266, 265, 266,
 &end
#
#   17 HIS  HN           16 GLU  HG-         4.50    (#    776:20  Unique         2.92, 4.34 A)
 &rst
  ixpk= 776, 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    (#    777:20  Unique         2.47, 3.83 A)
 &rst
  ixpk= 777, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:778     16 GLU  HG-         2.80    (#    778:20  Single Ambig)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 262, 263, 245, 246, 245, 246,
 igr2= 265, 266,
 &end
#
#   82 LYS  HD+          16 GLU  HG-         2.80    (#    779:20  Unique         2.33, 3.77 A)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1268,1269,
 igr2= 265, 266,
 &end
#
#   75 LEU  MDY          16 GLU  HG-         5.50    (#    780:20  Unique         2.64, 6.11 A)
 &rst
  ixpk= 780, 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
#
#    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=1154,1155,1156,1158,1159,1160,1265,1266,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:782      0 AMB  20-1:782    2.80    (#    782:20  Double Ambig)
 &rst
  ixpk= 782, 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
#
#   11 GLU  HN            0 AMB  20-1:783    3.50    (#    783:20  Single Ambig)
 &rst
  ixpk= 783, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 178, 179, 178, 179,
 &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
#
#    9 VAL  MGX           0 AMB  20-1:785    4.50    (#    785:20  Single Ambig)
 &rst
  ixpk= 785, 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
#
#    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= 504, 505, 504, 505, 504, 505,
 igr2= 507, 508, 507, 508, 507, 508,
 &end
#
#   31 GLU  HN            0 AMB  20-1:787    3.50    (#    787:20  Single Ambig)
 &rst
  ixpk= 787, 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  20-1:788    3.50    (#    788:20  Single Ambig)
 &rst
  ixpk= 788, 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  HA            0 AMB  20-1:789    3.50    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat= 502,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 507, 508, 507, 508,
 &end
#
#   32 ARG  HN            0 AMB  20-1:790    5.50    (#    790:20  Single Ambig)
 &rst
  ixpk= 790, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 507, 508, 507, 508,
 &end
#
#   28 GLU  HN           28 GLU  HG+         3.50    (#    791:20  Unique         2.59, 3.38 A)
 &rst
  ixpk= 791, 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    (#    792:20  Unique         2.48, 3.02 A)
 &rst
  ixpk= 792, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:793      0 AMB  20-1:793    4.50    (#    793:20  Double Ambig)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 525, 526, 525, 526,
 igr2= 454, 455, 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= 4.44, r4= 5.19,
 igr1= 451, 452, 429, 430,
 igr2= 454, 455, 454, 455,
 &end
#
#    0 AMB  20-2:795      0 AMB  20-1:795    3.50    (#    795:20  Double Ambig)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 432, 433, 432, 433,
 igr2= 454, 455, 454, 455,
 &end
#
#    0 AMB  20-2:796      0 AMB  20-1:796    4.50    (#    796:20  Double Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=   8,   9,  10, 432, 433,
 igr2=  21,  22,  21,  22, 454, 455,
 &end
#
#   24 ILE  QG2          28 GLU  HG+         5.50    (#    797:20  Unique         5.51, 6.96 A)
 &rst
  ixpk= 797, 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
#
#   28 GLU  HN           28 GLU  HG-         3.50    (#    798:20  Unique         2.59, 3.38 A)
 &rst
  ixpk= 798, 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    (#    799:20  Unique         2.48, 3.02 A)
 &rst
  ixpk= 799, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 454, 455,
 &end
#
#   29 VAL  HN           28 GLU  HG-         5.50    (#    800:20  Unique         4.30, 4.89 A)
 &rst
  ixpk= 800, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 454, 455,
 &end
#
#   32 ARG  HD-          28 GLU  HG-         4.50    (#    801:20  Unique         2.90, 4.95 A)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 525, 526,
 igr2= 454, 455,
 &end
#
#   45 LYS  HG-           0 AMB  20-1:802    4.50    (#    802:20  Single Ambig)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 719, 720,
 igr2=  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:803      0 AMB  20-1:803    4.50    (#    803:20  Double Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  29, 682,
 igr2=  21,  22,  21,  22,  21,  22,
 &end
#
#   43 THR  HB            0 AMB  20-1:804    3.50    (#    804:20  Single Ambig)
 &rst
  ixpk= 804, nxpk= 20, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  21,  22,  21,  22,
 &end
#
#    2 GLU  HA            0 AMB  20-1:805    3.50    (#    805:20  Single Ambig)
 &rst
  ixpk= 805, 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  20-1:806    3.50    (#    806:20  Single Ambig)
 &rst
  ixpk= 806, 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
#
#    4 TRP  HE1           0 AMB  20-1:807    5.50    (#    807:20  Single Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:808      0 AMB  20-1:808    4.50    (#    808:20  Double Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  29, 682,
 igr2=  21,  22,  21,  22,  21,  22,
 &end
#
#   66 TYR  HN           66 TYR  HB+         3.50    (#    809:20  Unique         2.25, 2.96 A)
 &rst
  ixpk= 809, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:813      0 AMB  20-1:813    3.50    (#    813:20  Double Ambig)
 &rst
  ixpk= 813, 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
#
#   61 LEU  HB+          66 TYR  HB+         4.50    (#    814:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 814, 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    (#    815:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 815, 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  20-2:816      0 AMB  20-1:816    3.50    (#    816:20  Double Ambig)
 &rst
  ixpk= 816, 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, 702, 703, 704, 706, 707, 708,
 igr2=1028,1029,1028,1029,1028,1029,
 &end
#
#   61 LEU  MDX          66 TYR  HB+         4.50    (#    817:20  Unique         3.54, 5.54 A)
 &rst
  ixpk= 817, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1028,1029,
 &end
#
#   61 LEU  HB+          66 TYR  HB-         4.50    (#    818:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 818, 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    (#    819:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 959, 960,
 igr2=1028,1029,
 &end
#
#   66 TYR  HN           66 TYR  HB-         3.50    (#    820:20  Unique         2.25, 2.96 A)
 &rst
  ixpk= 820, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:823     66 TYR  HB-         3.50    (#    823:20  Single Ambig)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 976,1026,
 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= 6.36, r4= 7.11,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 702, 703, 704, 706, 707, 708,
 igr2=1028,1029,
 &end
#
#   61 LEU  MDX          66 TYR  HB-         4.50    (#    825:20  Unique         3.54, 5.54 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1028,1029,
 &end
#
#   83 VAL  HN           82 LYS  HB+         4.50    (#    826:20  Unique         2.55, 3.85 A)
 &rst
  ixpk= 826, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1262,1263,
 &end
#
#   82 LYS  HN           82 LYS  HB+         4.50    (#    827:20  Unique         2.50, 3.20 A)
 &rst
  ixpk= 827, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1262,1263,
 &end
#
#   82 LYS  HG-          82 LYS  HB+         3.50    (#    829:20  Unique         2.22, 2.74 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1265,1266,
 igr2=1262,1263,
 &end
#
#   83 VAL  HN           82 LYS  HB-         4.50    (#    830:20  Unique         2.55, 3.85 A)
 &rst
  ixpk= 830, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1262,1263,
 &end
#
#   82 LYS  HN           82 LYS  HB-         3.50    (#    831:20  Unique         2.50, 3.20 A)
 &rst
  ixpk= 831, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1262,1263,
 &end
#
#   67 THR  HN           66 TYR  HB+         5.50    (#    833:20  Unique         2.61, 3.70 A)
 &rst
  ixpk= 833, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1028,1029,
 &end
#
#   65 GLY  HN           66 TYR  HB-         5.50    (#    835:20  Unique         3.94, 5.22 A)
 &rst
  ixpk= 835, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:836      0 AMB  20-1:836    5.50    (#    836:20  Double Ambig)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1000,1017,
 igr2= 992, 993, 992, 993,
 &end
#
#    0 AMB  20-2:837      0 AMB  20-1:837    2.80    (#    837:20  Double Ambig)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 987, 923,
 igr2= 992, 993, 928, 929,
 &end
#
#    0 AMB  20-2:838      0 AMB  20-1:838    4.50    (#    838:20  Double Ambig)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 938, 867, 868,
 igr2= 928, 929, 992, 993, 928, 929,
 &end
#
#   63 GLU  HN           63 GLU  HG-         4.50    (#    839:20  Unique         2.46, 4.05 A)
 &rst
  ixpk= 839, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 992, 993,
 &end
#
#    0 AMB  20-2:840     63 GLU  HG-         5.50    (#    840:20  Single Ambig)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1000,1017,
 igr2= 992, 993,
 &end
#
#    0 AMB  20-2:841      0 AMB  20-1:841    2.80    (#    841:20  Double Ambig)
 &rst
  ixpk= 841, 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
#
#   82 LYS  HG-          82 LYS  HB-         3.50    (#    842:20  Unique         2.22, 2.74 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
#
#   59 GLU  HN           59 GLU  HG+         3.50    (#    843:20  Unique         2.15, 3.06 A)
 &rst
  ixpk= 843, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 928, 929,
 &end
#
#   51 GLY  HN           53 GLN  HG+         5.50    (#    845:20  Unique         4.45, 6.19 A)
 &rst
  ixpk= 845, nxpk= 20, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 844, 845,
 &end
#
#   53 GLN  HE2+         53 GLN  HG+         4.50    (#    846:20  Unique         2.26, 3.37 A)
 &rst
  ixpk= 846, 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  HA           53 GLN  HG+         3.50    (#    848:20  Unique         2.30, 2.99 A)
 &rst
  ixpk= 848, 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    (#    849:20  Unique         2.27, 2.73 A)
 &rst
  ixpk= 849, 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+         4.50    (#    850:20  Unique         2.81, 6.25 A)
 &rst
  ixpk= 850, 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= 844, 845,
 &end
#
#   59 GLU  HN           59 GLU  HG-         3.50    (#    858:20  Unique         2.15, 3.06 A)
 &rst
  ixpk= 858, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 928, 929,
 &end
#
#   70 GLU  HN           70 GLU  HG+         4.50    (#    859:20  Unique         3.09, 4.37 A)
 &rst
  ixpk= 859, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1099,1100,
 &end
#
#   70 GLU  HA           70 GLU  HG+         3.50    (#    860:20  Unique         2.46, 3.05 A)
 &rst
  ixpk= 860, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1099,1100,
 &end
#
#   70 GLU  HB+          70 GLU  HG+         2.80    (#    861:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1096,1097,
 igr2=1099,1100,
 &end
#
#   70 GLU  HA           70 GLU  HG-         3.50    (#    862:20  Unique         2.46, 3.05 A)
 &rst
  ixpk= 862, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1099,1100,
 &end
#
#   70 GLU  HN           70 GLU  HG-         4.50    (#    863:20  Unique         3.09, 4.37 A)
 &rst
  ixpk= 863, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1099,1100,
 &end
#
#   80 MET  HN           80 MET  HB+         4.50    (#    864:20  Unique         2.28, 3.25 A)
 &rst
  ixpk= 864, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1231,1232,
 &end
#
#   80 MET  HA           80 MET  HB+         3.50    (#    865:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 865, 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    (#    866:20  Unique         2.07, 3.61 A)
 &rst
  ixpk= 866, 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    (#    867:20  Unique         2.07, 3.61 A)
 &rst
  ixpk= 867, 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    (#    868:20  Unique         2.25, 3.97 A)
 &rst
  ixpk= 868, 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
#
#   18 VAL  MGX          80 MET  HB+         4.50    (#    869:20  Unique         2.32, 4.24 A)
 &rst
  ixpk= 869, 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=1231,1232,
 &end
#
#   80 MET  HN           80 MET  HB-         3.50    (#    870:20  Unique         2.28, 3.25 A)
 &rst
  ixpk= 870, 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    (#    871:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 871, 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-         5.50    (#    872:20  Unique         2.07, 3.61 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2=1231,1232,
 &end
#
#   81 PRO  HD-          80 MET  HB-         4.50    (#    873:20  Unique         2.07, 3.61 A)
 &rst
  ixpk= 873, 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    (#    874:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 874, 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-         4.50    (#    875:20  Unique         2.25, 3.97 A)
 &rst
  ixpk= 875, 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
#
#   18 VAL  MGX          80 MET  HB-         3.50    (#    876:20  Unique         2.32, 4.24 A)
 &rst
  ixpk= 876, 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=1231,1232,
 &end
#
#    0 AMB  20-2:877      0 AMB  20-1:877    3.50    (#    877:20  Double Ambig)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1000,1017,
 igr2=1004,1005,1004,1005,
 &end
#
#   64 MET  HA           64 MET  HB+         3.50    (#    878:20  Unique         2.40, 2.79 A)
 &rst
  ixpk= 878, 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    (#    879:20  Unique         2.09, 3.00 A)
 &rst
  ixpk= 879, 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    (#    880:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 880, 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+         2.80    (#    882:20  Unique         2.27, 3.70 A)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1011,1012,1013,
 igr2=1004,1005,
 &end
#
#    0 AMB  20-2:883      0 AMB  20-1:883    3.50    (#    883:20  Double Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1007,1008, 207, 208,
 igr2=1004,1005, 193, 194,
 &end
#
#   61 LEU  MDX          64 MET  HB-         5.50    (#    884:20  Unique         3.11, 5.76 A)
 &rst
  ixpk= 884, 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=1004,1005,
 &end
#
#    0 AMB  20-2:885      0 AMB  20-1:885    2.80    (#    885:20  Double Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 198, 199,1000,1017,
 igr2= 193, 194,1004,1005,
 &end
#
#    0 AMB  20-2:886      0 AMB  20-1:886    2.80    (#    886:20  Double Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 186, 872,
 igr2= 193, 194, 879, 880,
 &end
#
#    0 AMB  20-2:887     12 GLN  HG-         4.50    (#    887:20  Single Ambig)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 368, 369, 258,
 igr2= 193, 194,
 &end
#
#   12 GLN  HE2+         12 GLN  HG+         3.50    (#    888:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 198, 199,
 igr2= 193, 194,
 &end
#
#   12 GLN  HE2-         12 GLN  HG+         4.50    (#    889:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 198, 199,
 igr2= 193, 194,
 &end
#
#    0 AMB  20-2:890      0 AMB  20-1:890    3.50    (#    890:20  Double Ambig)
 &rst
  ixpk= 890, 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  20-2:891      0 AMB  20-1:891    3.50    (#    891:20  Double Ambig)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 186, 872,
 igr2= 193, 194, 879, 880,
 &end
#
#   12 GLN  HA           12 GLN  HG+         3.50    (#    892:20  Unique         3.74, 3.91 A)
 &rst
  ixpk= 892, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 193, 194,
 &end
#
#   58 LYS  HN           56 GLN  HG+         5.50    (#    893:20  Unique         5.81, 6.27 A)
 &rst
  ixpk= 893, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 879, 880,
 &end
#
#   26 LEU  MDY          56 GLN  HG+         4.50    (#    894:20  Unique         2.77, 5.15 A)
 &rst
  ixpk= 894, 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
#
#   12 GLN  HE2-         12 GLN  HG-         4.50    (#    895:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 198, 199,
 igr2= 193, 194,
 &end
#
#    0 AMB  20-2:896      0 AMB  20-1:896    3.50    (#    896:20  Double Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 188,1019,1020,
 igr2= 193, 194,1004,1005,
 &end
#
#    0 AMB  20-2:897      0 AMB  20-1:897    3.50    (#    897:20  Double Ambig)
 &rst
  ixpk= 897, 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
#
#   56 GLN  HE2-         56 GLN  HG-         5.50    (#    898:20  Unique         2.17, 3.39 A)
 &rst
  ixpk= 898, 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  20-2:899     12 GLN  HG-         2.80    (#    899:20  Single Ambig)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 190, 191, 190, 191,
 igr2= 193, 194,
 &end
#
#   84 LYS  HN           84 LYS  HB+         3.50    (#    900:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 900, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#   85 GLY  HN           84 LYS  HB+         3.50    (#    901:20  Unique         2.28, 3.29 A)
 &rst
  ixpk= 901, 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+         2.80    (#    902:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 902, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1300,1301,
 &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= 8.73, r4= 9.48,
 igr1=1309,1310,1309,1310,
 igr2=1300,1301,1300,1301,
 &end
#
#    0 AMB  20-2:904      0 AMB  20-1:904    2.80    (#    904:20  Double Ambig)
 &rst
  ixpk= 904, 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
#
#   84 LYS  HN           84 LYS  HB-         3.50    (#    906:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 906, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#   85 GLY  HN           84 LYS  HB-         4.50    (#    907:20  Unique         2.28, 3.29 A)
 &rst
  ixpk= 907, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1300,1301,
 &end
#
#   84 LYS  HA           84 LYS  HB-         3.50    (#    908:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 908, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:909     84 LYS  HB-         2.80    (#    909:20  Single Ambig)
 &rst
  ixpk= 909, 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
#
#   58 LYS  HN           56 GLN  HG-         5.50    (#    910:20  Unique         5.81, 6.27 A)
 &rst
  ixpk= 910, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 879, 880,
 &end
#
#   56 GLN  HA           56 GLN  HG-         2.80    (#    911:20  Unique         2.38, 3.00 A)
 &rst
  ixpk= 911, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 879, 880,
 &end
#
#   26 LEU  MDY          56 GLN  HG-         3.50    (#    912:20  Unique         2.77, 5.15 A)
 &rst
  ixpk= 912, 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= 879, 880,
 &end
#
#   44 VAL  HN           44 VAL  HB          2.80    (#    913:20  Unique         2.20, 2.51 A)
 &rst
  ixpk= 913, nxpk= 20, iat= 696, 700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 VAL  HA           44 VAL  HB          3.50    (#    914:20  Unique         2.25, 2.57 A)
 &rst
  ixpk= 914, nxpk= 20, iat=1078, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:915     44 VAL  HB          2.80    (#    915:20  Single Ambig)
 &rst
  ixpk= 915, 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
#
#   70 GLU  HN           44 VAL  HB          5.50    (#    916:20  Unique         3.69, 4.07 A)
 &rst
  ixpk= 916, nxpk= 20, iat=1092, 700, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 VAL  MGX          44 VAL  HB          2.80    (#    917:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 917, 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  20-2:918     44 VAL  HB          3.50    (#    918:20  Single Ambig)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 &end
#
#    0 AMB  20-2:919     84 LYS  HB-         4.50    (#    919:20  Single Ambig)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1309,1310,1309,1310,
 igr2=1300,1301,
 &end
#
#   83 VAL  HN           83 VAL  HB          3.50    (#    921:20  Unique         2.51, 3.43 A)
 &rst
  ixpk= 921, nxpk= 20, iat=1280,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 LYS  HN           83 VAL  HB          4.50    (#    922:20  Unique         2.58, 3.24 A)
 &rst
  ixpk= 922, nxpk= 20, iat=1296,1284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 VAL  HA           83 VAL  HB          3.50    (#    923:20  Unique         2.38, 2.53 A)
 &rst
  ixpk= 923, nxpk= 20, iat=1282,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLN  HG+          83 VAL  HB          5.50    (#    924:20  Unique         2.84, 5.23 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 313, 314,
 &end
#
#   83 VAL  MGY          83 VAL  HB          2.80    (#    925:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   46 VAL  MGX          46 VAL  HB          2.80    (#    926:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1, 738, 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  HB          2.80    (#    927:20  Unique         2.42, 2.51 A)
 &rst
  ixpk= 927, nxpk= 20, iat= 736, 738, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:928     46 VAL  HB          4.50    (#    928:20  Single Ambig)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1109, 714,
 &end
#
#   54 SER  HB-          46 VAL  HB          4.50    (#    929:20  Unique         2.33, 3.68 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#   57 ALA  MB           46 VAL  HB          5.50    (#    930:20  Unique         2.67, 3.86 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 893, 894, 895,
 &end
#
#    0 AMB  20-2:931     46 VAL  HB          2.80    (#    931:20  Single Ambig)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1, 738, 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
#
#   15 GLN  HA           15 GLN  HG-         3.50    (#    932:20  Unique         2.58, 3.75 A)
 &rst
  ixpk= 932, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:933      0 AMB  20-1:933    2.80    (#    933:20  Double Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 121, 122, 245, 246, 245, 246,
 igr2= 193, 194, 248, 249,
 &end
#
#    0 AMB  20-2:934     46 VAL  HB          3.50    (#    934:20  Single Ambig)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 750, 734,
 &end
#
#    0 AMB  20-2:935     46 VAL  HB          3.50    (#    935:20  Single Ambig)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 858, 859, 856,
 &end
#
#   15 GLN  HE2-         15 GLN  HG+         5.50    (#    936:20  Unique         2.13, 3.32 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 253, 254,
 igr2= 248, 249,
 &end
#
#   15 GLN  HE2+         15 GLN  HG+         4.50    (#    937:20  Unique         2.13, 3.32 A)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 253, 254,
 igr2= 248, 249,
 &end
#
#   16 GLU  HN           15 GLN  HG+         5.50    (#    938:20  Unique         2.00, 2.90 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 248, 249,
 &end
#
#   15 GLN  HN           15 GLN  HG+         3.50    (#    939:20  Unique         1.88, 2.75 A)
 &rst
  ixpk= 939, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 248, 249,
 &end
#
#   12 GLN  HA           15 GLN  HG+         4.50    (#    940:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 940, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 248, 249,
 &end
#
#   15 GLN  HA           15 GLN  HG+         3.50    (#    941:20  Unique         2.58, 3.75 A)
 &rst
  ixpk= 941, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:942      0 AMB  20-1:942    2.80    (#    942:20  Double Ambig)
 &rst
  ixpk= 942, 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
#
#   15 GLN  HN           15 GLN  HG-         4.50    (#    943:20  Unique         1.88, 2.75 A)
 &rst
  ixpk= 943, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 248, 249,
 &end
#
#   14 GLN  HN            0 AMB  20-1:944    3.50    (#    944:20  Single Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 231, 232, 231, 232,
 &end
#
#   15 GLN  HN            0 AMB  20-1:945    5.50    (#    945:20  Single Ambig)
 &rst
  ixpk= 945, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 231, 232, 231, 232,
 &end
#
#   14 GLN  HE2-          0 AMB  20-1:946    4.50    (#    946:20  Single Ambig)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 236, 237,
 igr2= 231, 232, 231, 232,
 &end
#
#   11 GLU  HA            0 AMB  20-1:947    3.50    (#    947:20  Single Ambig)
 &rst
  ixpk= 947, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 231, 232, 231, 232,
 &end
#
#   14 GLN  HA            0 AMB  20-1:948    3.50    (#    948:20  Single Ambig)
 &rst
  ixpk= 948, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 231, 232, 231, 232,
 &end
#
#   14 GLN  HB-           0 AMB  20-1:949    2.80    (#    949:20  Single Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 228, 229,
 igr2= 231, 232, 231, 232,
 &end
#
#   19 GLN  HE2+         19 GLN  HG+         4.50    (#    950:20  Unique         2.24, 3.42 A)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 318, 319,
 igr2= 313, 314,
 &end
#
#   20 GLY  HN           19 GLN  HG+         4.50    (#    951:20  Unique         2.79, 4.37 A)
 &rst
  ixpk= 951, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 313, 314,
 &end
#
#   19 GLN  HN           19 GLN  HG+         5.50    (#    952:20  Unique         1.81, 4.28 A)
 &rst
  ixpk= 952, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   19 GLN  HA           19 GLN  HG+         3.50    (#    953:20  Unique         2.43, 3.16 A)
 &rst
  ixpk= 953, 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    (#    954:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 954, 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    (#    955:20  Unique         2.47, 4.49 A)
 &rst
  ixpk= 955, 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
#
#   20 GLY  HN           19 GLN  HG-         4.50    (#    956:20  Unique         2.79, 4.37 A)
 &rst
  ixpk= 956, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 313, 314,
 &end
#
#   19 GLN  HA           19 GLN  HG-         3.50    (#    957:20  Unique         2.43, 3.16 A)
 &rst
  ixpk= 957, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 313, 314,
 &end
#
#   19 GLN  HN           19 GLN  HG-         4.50    (#    958:20  Unique         1.81, 4.28 A)
 &rst
  ixpk= 958, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 313, 314,
 &end
#
#   19 GLN  HE2+         19 GLN  HG-         4.50    (#    959:20  Unique         2.24, 3.42 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 318, 319,
 igr2= 313, 314,
 &end
#
#   69 VAL  HN           69 VAL  HB          3.50    (#    960:20  Unique         2.58, 2.88 A)
 &rst
  ixpk= 960, 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    (#    961:20  Unique         2.46, 2.96 A)
 &rst
  ixpk= 961, nxpk= 20, iat=1078,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 LYS  HG-          69 VAL  HB          3.50    (#    962:20  Unique         2.24, 3.49 A)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,1080, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 906, 907,
 &end
#
#    0 AMB  20-2:963     69 VAL  HB          2.80    (#    963:20  Single Ambig)
 &rst
  ixpk= 963, 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  20-1:964    3.50    (#    964:20  Single Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1096,1097,1080,
 &end
#
#   45 LYS  HA           70 GLU  HB+         4.50    (#    965:20  Unique         2.60, 3.85 A)
 &rst
  ixpk= 965, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1096,1097,
 &end
#
#   71 ASN  HN           70 GLU  HB+         4.50    (#    966:20  Unique         2.53, 3.91 A)
 &rst
  ixpk= 966, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:967      0 AMB  20-1:967    2.80    (#    967:20  Double Ambig)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1099,1100,1099,1100,
 igr2=1096,1097,1096,1097,
 &end
#
#   70 GLU  HN           70 GLU  HB-         3.50    (#    968:20  Unique         2.62, 3.07 A)
 &rst
  ixpk= 968, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1096,1097,
 &end
#
#   71 ASN  HN           70 GLU  HB-         5.50    (#    969:20  Unique         2.53, 3.91 A)
 &rst
  ixpk= 969, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1096,1097,
 &end
#
#   45 LYS  HA           70 GLU  HB-         4.50    (#    970:20  Unique         2.60, 3.85 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:971     70 GLU  HB-         4.50    (#    971:20  Single Ambig)
 &rst
  ixpk= 971, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 722, 723,1082,1083,1084,1086,1087,1088,1082,1083,
      1084,1086,1087,1088, 740, 741, 742, 744, 745, 746,
      
 igr2=1096,1097,
 &end
#
#   70 GLU  HA           70 GLU  HB-         3.50    (#    972:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 972, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:973     70 GLU  HB-         2.80    (#    973:20  Single Ambig)
 &rst
  ixpk= 973, 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
#
#   45 LYS  HG+          70 GLU  HB-         3.50    (#    974:20  Unique         2.27, 3.98 A)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 719, 720,
 igr2=1096,1097,
 &end
#
#   12 GLN  HE2-         18 VAL  HB          5.50    (#    975:20  Unique         4.74, 5.35 A)
 &rst
  ixpk= 975, nxpk= 20, iat=  -1, 294, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 198, 199,
 &end
#
#   78 ILE  QG2          80 MET  HG+         3.50    (#    977:20  Unique         2.10, 3.77 A)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1204,1205,1206,
 igr2=1234,1235,
 &end
#
#    0 AMB  20-2:978      0 AMB  20-1:978    2.80    (#    978:20  Double Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 290, 515,
 igr2= 294, 519, 520,
 &end
#
#    0 AMB  20-2:979      0 AMB  20-1:979    4.50    (#    979:20  Double Ambig)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 425,1217, 306,
 igr2= 399, 400,1234,1235,
 &end
#
#    0 AMB  20-2:980      0 AMB  20-1:980    3.50    (#    980:20  Double Ambig)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 292,1245,1246,
 igr2= 294,1234,1235,
 &end
#
#    0 AMB  20-2:981      0 AMB  20-1:981    3.50    (#    981:20  Double Ambig)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 393, 394,  50,  51, 277, 278,
 igr2= 399, 400, 294, 519, 520,
 &end
#
#    0 AMB  20-2:982      0 AMB  20-1:982    2.80    (#    982:20  Double Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1234,1235, 294,
 &end
#
#   80 MET  HA           80 MET  HG-         4.50    (#    983:20  Unique         2.29, 3.02 A)
 &rst
  ixpk= 983, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1234,1235,
 &end
#
#   28 GLU  HN           25 PRO  HB+         5.50    (#    984:20  Unique         3.00, 4.05 A)
 &rst
  ixpk= 984, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#   26 LEU  HN           25 PRO  HB+         4.50    (#    985:20  Unique         2.94, 3.44 A)
 &rst
  ixpk= 985, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 399, 400,
 &end
#
#    9 VAL  HA           25 PRO  HB+         4.50    (#    986:20  Unique         2.25, 3.75 A)
 &rst
  ixpk= 986, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 399, 400,
 &end
#
#   25 PRO  HA           25 PRO  HB+         2.80    (#    987:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 987, nxpk= 20, iat= 402,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 399, 400,
 &end
#
#   25 PRO  HD+          25 PRO  HB+         4.50    (#    988:20  Unique         2.73, 3.66 A)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#   25 PRO  HD-          25 PRO  HB+         4.50    (#    989:20  Unique         2.73, 3.66 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#    9 VAL  MGY          25 PRO  HB+         4.50    (#    990:20  Unique         3.11, 6.21 A)
 &rst
  ixpk= 990, 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
#
#   80 MET  HA           80 MET  HG+         3.50    (#    991:20  Unique         2.29, 3.02 A)
 &rst
  ixpk= 991, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1234,1235,
 &end
#
#   80 MET  HB-          80 MET  HG+         2.80    (#    992:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1231,1232,
 igr2=1234,1235,
 &end
#
#   18 VAL  MGX          80 MET  HG+         4.50    (#    993:20  Unique         2.17, 5.53 A)
 &rst
  ixpk= 993, 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=1234,1235,
 &end
#
#   80 MET  HN           80 MET  HG+         4.50    (#    994:20  Unique         2.56, 3.61 A)
 &rst
  ixpk= 994, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1234,1235,
 &end
#
#   32 ARG  HN           32 ARG  HB+         3.50    (#    995:20  Unique         2.16, 2.96 A)
 &rst
  ixpk= 995, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:996      0 AMB  20-1:996    5.50    (#    996:20  Double Ambig)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 462, 186,
 igr2= 519, 520, 429, 430, 164, 165,
 &end
#
#    0 AMB  20-2:997      0 AMB  20-1:997    3.50    (#    997:20  Double Ambig)
 &rst
  ixpk= 997, 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  20-2:998      0 AMB  20-1:998    3.50    (#    998:20  Double Ambig)
 &rst
  ixpk= 998, 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  20-2:999     32 ARG  HB-         3.50    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 525, 526, 525, 526,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:1000    32 ARG  HB-         2.80    (#   1000:20  Single Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 519, 520,
 &end
#
#   28 GLU  HN            0 AMB  20-1:1001   4.50    (#   1001:20  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 399, 400, 519, 520,
 &end
#
#    9 VAL  HA           25 PRO  HB-         5.50    (#   1002:20  Unique         2.25, 3.75 A)
 &rst
  ixpk= 1002, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:1003     0 AMB  20-1:1003   3.50    (#   1003:20  Double Ambig)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 402,1245,1246,
 igr2= 399, 400,1234,1235,
 &end
#
#   25 PRO  HD+          25 PRO  HB-         3.50    (#   1004:20  Unique         2.73, 3.66 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#   29 VAL  HN           25 PRO  HB-         5.50    (#   1005:20  Unique         4.49, 5.43 A)
 &rst
  ixpk= 1005, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#   80 MET  HN           80 MET  HG-         5.50    (#   1006:20  Unique         2.56, 3.61 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#   80 MET  HB-          80 MET  HG-         2.80    (#   1007:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1231,1232,
 igr2=1234,1235,
 &end
#
#   78 ILE  QG2          80 MET  HG-         2.80    (#   1008:20  Unique         2.10, 3.77 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1204,1205,1206,
 igr2=1234,1235,
 &end
#
#   28 GLU  HG-          25 PRO  HB+         3.50    (#   1009:20  Unique         2.47, 4.83 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 454, 455,
 igr2= 399, 400,
 &end
#
#   32 ARG  HA           32 ARG  HB-         3.50    (#   1010:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1010, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:1011     0 AMB  20-1:1011   4.50    (#   1011:20  Double Ambig)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
 igr1=1011,1012,1013, 989, 990, 989, 990,
 igr2=1007,1008,1007,1008,1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HG-         2.80    (#   1012:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1004,1005,
 igr2=1007,1008,
 &end
#
#   43 THR  MG2           0 AMB  20-1:1013   4.50    (#   1013:20  Single Ambig)
 &rst
  ixpk= 1013, 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
#
#   64 MET  HN           64 MET  HG+         3.50    (#   1014:20  Unique         2.34, 3.17 A)
 &rst
  ixpk= 1014, 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    (#   1015:20  Unique         2.49, 3.11 A)
 &rst
  ixpk= 1015, 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+         4.50    (#   1016:20  Unique         2.96, 3.62 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HG+         3.50    (#   1017:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1017, 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  HA           64 MET  HG-         3.50    (#   1018:20  Unique         2.49, 3.11 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1007,1008,
 &end
#
#   60 ILE  QG2          64 MET  HG-         5.50    (#   1019:20  Unique         3.05, 4.27 A)
 &rst
  ixpk= 1019, 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
#
#   64 MET  HN           64 MET  HG-         4.50    (#   1020:20  Unique         2.34, 3.17 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1007,1008,
 &end
#
#   61 LEU  HA           64 MET  HG-         4.50    (#   1021:20  Unique         2.96, 3.62 A)
 &rst
  ixpk= 1021, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1007,1008,
 &end
#
#    0 AMB  20-2:1022    64 MET  HG-         3.50    (#   1022:20  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1=1011,1012,1013, 989, 990, 989, 990,
 igr2=1007,1008,
 &end
#
#   13 TYR  HB+          10 PRO  HB+         3.50    (#   1023:20  Unique         2.86, 4.36 A)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 207, 208,
 igr2= 164, 165,
 &end
#
#   13 TYR  HB-          10 PRO  HB+         3.50    (#   1024:20  Unique         2.86, 4.36 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 207, 208,
 igr2= 164, 165,
 &end
#
#   11 GLU  HN           10 PRO  HB+         4.50    (#   1025:20  Unique         3.04, 3.96 A)
 &rst
  ixpk= 1025, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 164, 165,
 &end
#
#   10 PRO  HG+          10 PRO  HB+         2.80    (#   1026:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 161, 162,
 igr2= 164, 165,
 &end
#
#   11 GLU  HN           10 PRO  HB-         3.50    (#   1027:20  Unique         3.04, 3.96 A)
 &rst
  ixpk= 1027, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:1028    10 PRO  HB-         2.80    (#   1028:20  Single Ambig)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 158, 159, 158, 159,
 igr2= 164, 165,
 &end
#
#    3 HIS  HN            0 AMB  20-1:1029   3.50    (#   1029:20  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 20, iat=  29,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  18,  19,  18,  19,
 &end
#
#    2 GLU  HA            0 AMB  20-1:1030   3.50    (#   1030:20  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 20, iat=  16,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  18,  19,  18,  19,
 &end
#
#    4 TRP  HA           45 LYS  HB+         4.50    (#   1033:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:1034     0 AMB  20-1:1034   4.50    (#   1034:20  Double Ambig)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 158, 159, 158, 159,
 igr2= 164, 165, 164, 165,
 &end
#
#   38 PRO  HA           38 PRO  HB+         2.80    (#   1035:20  Unique         2.27, 2.55 A)
 &rst
  ixpk= 1035, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 615, 616,
 &end
#
#    0 AMB  20-2:1036     0 AMB  20-1:1036   2.80    (#   1036:20  Double Ambig)
 &rst
  ixpk= 1036, 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
#
#   38 PRO  HD+          38 PRO  HB-         3.50    (#   1037:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 609, 610,
 igr2= 615, 616,
 &end
#
#   38 PRO  HD-           0 AMB  20-1:1039   3.50    (#   1039:20  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 609, 610,
 igr2= 615, 616, 596,
 &end
#
#   27 LYS  HN           27 LYS  HB+         2.80    (#   1040:20  Unique         2.45, 3.05 A)
 &rst
  ixpk= 1040, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 429, 430,
 &end
#
#    0 AMB  20-2:1041     0 AMB  20-1:1041   2.80    (#   1041:20  Double Ambig)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 570, 594,
 igr2= 615, 616, 596,
 &end
#
#    0 AMB  20-2:1042     0 AMB  20-1:1042   2.80    (#   1042:20  Double Ambig)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 432, 433, 432, 433,
 igr2= 429, 430, 429, 430,
 &end
#
#   27 LYS  HN           27 LYS  HB-         3.50    (#   1043:20  Unique         2.45, 3.05 A)
 &rst
  ixpk= 1043, 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    (#   1044:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 1044, nxpk= 20, iat= 427,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 429, 430,
 &end
#
#   45 LYS  HN           45 LYS  HB+         3.50    (#   1045:20  Unique         2.33, 3.11 A)
 &rst
  ixpk= 1045, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 716, 717,
 &end
#
#   45 LYS  HA           45 LYS  HB+         3.50    (#   1046:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 1046, 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    (#   1047:20  Unique         2.22, 4.74 A)
 &rst
  ixpk= 1047, 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    (#   1048:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1048, 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-         4.50    (#   1049:20  Unique         2.33, 3.11 A)
 &rst
  ixpk= 1049, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 716, 717,
 &end
#
#    4 TRP  HA           45 LYS  HB-         4.50    (#   1050:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 716, 717,
 &end
#
#   45 LYS  HA           45 LYS  HB-         3.50    (#   1051:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 1051, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 716, 717,
 &end
#
#   45 LYS  HG+          45 LYS  HB-         2.80    (#   1052:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 719, 720,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:1053     0 AMB  20-1:1053   3.50    (#   1053:20  Double Ambig)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 702, 703, 704, 706, 707, 708, 942, 943, 944, 353,
       354, 355,
 igr2=  33,  34,1007,1008,  33,  34,
 &end
#
#   38 PRO  HD+          38 PRO  HB+         4.50    (#   1054:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 609, 610,
 igr2= 615, 616,
 &end
#
#   37 VAL  HA           38 PRO  HB+         5.50    (#   1055:20  Unique         4.98, 5.48 A)
 &rst
  ixpk= 1055, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
#   38 PRO  HD-          38 PRO  HB+         3.50    (#   1056:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1056, 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  20-2:1057    37 VAL  HB          2.80    (#   1057:20  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 598, 599, 600, 602, 603, 604, 549, 550,
 &end
#
#    0 AMB  20-2:1058     0 AMB  20-1:1058   2.80    (#   1058:20  Double Ambig)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 592, 447,
 igr2= 596, 429, 430,
 &end
#
#   33 ILE  HG1-         37 VAL  HB          3.50    (#   1061:20  Unique         2.56, 3.52 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#   33 ILE  QD1          37 VAL  HB          4.50    (#   1062:20  Unique         2.36, 3.53 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 552, 553, 554,
 &end
#
#   37 VAL  MGX          37 VAL  HB          2.80    (#   1063:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1063, 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  20-2:1064     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= 6.67, r4= 7.42,
 igr1= 491, 492, 491, 492, 438, 439, 438, 439,
 igr2= 482, 483, 482, 483, 429, 430,
 &end
#
#    0 AMB  20-2:1065    40 LYS  HB-         5.50    (#   1065:20  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 700, 596,
 igr2= 638, 639,
 &end
#
#   45 LYS  HD+          45 LYS  HB-         4.50    (#   1066:20  Unique         2.45, 2.81 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 722, 723,
 igr2= 716, 717,
 &end
#
#   18 VAL  HN           17 HIS  HB+         4.50    (#   1067:20  Unique         2.51, 3.44 A)
 &rst
  ixpk= 1067, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:1069     0 AMB  20-1:1069   4.50    (#   1069:20  Double Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 203, 258,
 igr2= 277, 278, 277, 278,
 &end
#
#   17 HIS  HA           17 HIS  HB+         2.80    (#   1070:20  Unique         2.25, 2.47 A)
 &rst
  ixpk= 1070, nxpk= 20, iat= 275,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 277, 278,
 &end
#
#   21 ALA  MB           17 HIS  HB+         4.50    (#   1071:20  Unique         2.63, 5.44 A)
 &rst
  ixpk= 1071, 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
#
#   18 VAL  HN           17 HIS  HB-         3.50    (#   1072:20  Unique         2.51, 3.44 A)
 &rst
  ixpk= 1072, 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    (#   1074:20  Unique         2.25, 2.47 A)
 &rst
  ixpk= 1074, nxpk= 20, iat= 275,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 277, 278,
 &end
#
#   13 TYR  HA           17 HIS  HB-         5.50    (#   1075:20  Unique         2.02, 2.91 A)
 &rst
  ixpk= 1075, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#    4 TRP  HN            3 HIS  HB+         4.50    (#   1076:20  Unique         2.55, 3.64 A)
 &rst
  ixpk= 1076, 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    (#   1077:20  Unique         2.28, 3.17 A)
 &rst
  ixpk= 1077, 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    (#   1078:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=  31,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  33,  34,
 &end
#
#    0 AMB  20-2:1079     0 AMB  20-1:1079   5.50    (#   1079:20  Double Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=  80,  81,  80,  81,
 igr2=  33,  34,  33,  34,
 &end
#
#   44 VAL  MGX           3 HIS  HB+         4.50    (#   1080:20  Unique         2.51, 5.10 A)
 &rst
  ixpk= 1080, 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
#
#    5 ILE  QD1           3 HIS  HB+         4.50    (#   1081:20  Unique         2.31, 3.90 A)
 &rst
  ixpk= 1081, 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
#
#   37 VAL  MGX           3 HIS  HB+         4.50    (#   1082:20  Unique         2.49, 4.14 A)
 &rst
  ixpk= 1082, 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
#
#    4 TRP  HN            3 HIS  HB-         4.50    (#   1083:20  Unique         2.55, 3.64 A)
 &rst
  ixpk= 1083, 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-         3.50    (#   1084:20  Unique         2.28, 3.17 A)
 &rst
  ixpk= 1084, 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    (#   1086:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1086, 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    (#   1087:20  Unique         2.91, 3.83 A)
 &rst
  ixpk= 1087, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  33,  34,
 &end
#
#   44 VAL  MGY           3 HIS  HB-         4.50    (#   1088:20  Unique         2.51, 5.10 A)
 &rst
  ixpk= 1088, 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
#
#   44 VAL  MGX           3 HIS  HB-         4.50    (#   1089:20  Unique         2.51, 5.10 A)
 &rst
  ixpk= 1089, 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
#
#    5 ILE  QD1           3 HIS  HB-         4.50    (#   1090:20  Unique         2.31, 3.90 A)
 &rst
  ixpk= 1090, 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
#
#   37 VAL  MGX           3 HIS  HB-         4.50    (#   1091:20  Unique         2.49, 4.14 A)
 &rst
  ixpk= 1091, 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
#
#    8 ARG  HD-           8 ARG  HB+         4.50    (#   1092:20  Unique         2.30, 2.83 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 127, 128,
 igr2= 121, 122,
 &end
#
#    8 ARG  HA            8 ARG  HB-         4.50    (#   1093:20  Unique         2.35, 2.83 A)
 &rst
  ixpk= 1093, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 121, 122,
 &end
#
#    0 AMB  20-2:1094     0 AMB  20-1:1094   2.80    (#   1094:20  Double Ambig)
 &rst
  ixpk= 1094, 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+         4.50    (#   1095:20  Unique         2.72, 3.69 A)
 &rst
  ixpk= 1095, 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+         2.80    (#   1096:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 1096, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:1097     0 AMB  20-1:1097   4.50    (#   1097:20  Double Ambig)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1007,1008, 248, 249,1190,1191,
 igr2= 482, 483, 262, 263,1168,1169,
 &end
#
#   30 LYS  HA           30 LYS  HB-         2.80    (#   1098:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 1098, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:1099    30 LYS  HB-         5.50    (#   1099:20  Single Ambig)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 491, 492, 491, 492,1007,1008,
 igr2= 482, 483,
 &end
#
#   30 LYS  HG-          30 LYS  HB-         3.50    (#   1100:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 485, 486,
 igr2= 482, 483,
 &end
#
#   30 LYS  HN           30 LYS  HB-         2.80    (#   1101:20  Unique         2.21, 2.87 A)
 &rst
  ixpk= 1101, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 482, 483,
 &end
#
#   31 GLU  HN           30 LYS  HB-         4.50    (#   1102:20  Unique         2.72, 3.69 A)
 &rst
  ixpk= 1102, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:1103    30 LYS  HB-         3.50    (#   1103:20  Single Ambig)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 942, 943, 944, 949, 950, 951, 468, 469, 470, 472,
       473, 474,
 igr2= 482, 483,
 &end
#
#   66 TYR  HA           40 LYS  HB+         3.50    (#   1104:20  Unique         2.09, 3.13 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   40 LYS  HG-          40 LYS  HB+         3.50    (#   1105:20  Unique         2.22, 2.75 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 638, 639,
 &end
#
#   67 THR  HN           40 LYS  HB+         4.50    (#   1106:20  Unique         2.83, 4.50 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 638, 639,
 &end
#
#   40 LYS  HN           40 LYS  HB-         3.50    (#   1107:20  Unique         2.33, 3.06 A)
 &rst
  ixpk= 1107, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   66 TYR  HA           40 LYS  HB-         4.50    (#   1108:20  Unique         2.09, 3.13 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:1109    40 LYS  HB-         2.80    (#   1109:20  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 641, 642, 644, 645,
 igr2= 638, 639,
 &end
#
#   40 LYS  HG-          40 LYS  HB-         3.50    (#   1110:20  Unique         2.22, 2.75 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 638, 639,
 &end
#
#   13 TYR  HA           17 HIS  HB+         5.50    (#   1111:20  Unique         2.02, 2.91 A)
 &rst
  ixpk= 1111, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   13 TYR  HN           17 HIS  HB-         4.50    (#   1112:20  Unique         3.39, 4.99 A)
 &rst
  ixpk= 1112, nxpk= 20, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 277, 278,
 &end
#
#   21 ALA  MB           17 HIS  HB-         4.50    (#   1113:20  Unique         2.63, 5.44 A)
 &rst
  ixpk= 1113, 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  20-2:1115     0 AMB  20-1:1115   3.50    (#   1115:20  Double Ambig)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 127, 128,1245,1246,
 igr2= 121, 122,1251,1252,
 &end
#
#   83 VAL  HN            0 AMB  20-1:1116   4.50    (#   1116:20  Single Ambig)
 &rst
  ixpk= 1116, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 262, 263,1251,1252,
 &end
#
#    9 VAL  HN            8 ARG  HB+         3.50    (#   1117:20  Unique         1.96, 3.33 A)
 &rst
  ixpk= 1117, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 121, 122,
 &end
#
#    8 ARG  HA            8 ARG  HB+         3.50    (#   1118:20  Unique         2.35, 2.83 A)
 &rst
  ixpk= 1118, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 121, 122,
 &end
#
#    0 AMB  20-2:1119     8 ARG  HB-         3.50    (#   1119:20  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 117, 849, 850,
 igr2= 121, 122,
 &end
#
#    0 AMB  20-2:1122     0 AMB  20-1:1122   2.80    (#   1122:20  Double Ambig)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1262,1263,1303,1304,1303,1304, 485, 486,1171,1172,
      1171,1172,
 igr2= 262, 263, 482, 483,1168,1169,
 &end
#
#   19 GLN  HN           81 PRO  HB-         5.50    (#   1123:20  Unique         3.71, 4.87 A)
 &rst
  ixpk= 1123, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1251,1252,
 &end
#
#   82 LYS  HN           81 PRO  HB-         4.50    (#   1124:20  Unique         2.83, 3.32 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1251,1252,
 &end
#
#   81 PRO  HD-          81 PRO  HB-         4.50    (#   1125:20  Unique         2.81, 3.69 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1245,1246,
 igr2=1251,1252,
 &end
#
#   40 LYS  HN           40 LYS  HB+         4.50    (#   1126:20  Unique         2.33, 3.06 A)
 &rst
  ixpk= 1126, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 638, 639,
 &end
#
#   40 LYS  HA           40 LYS  HB+         3.50    (#   1127:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 1127, nxpk= 20, iat= 636,  -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    (#   1128:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   41 ASN  HN           40 LYS  HB-         5.50    (#   1129:20  Unique         3.27, 4.26 A)
 &rst
  ixpk= 1129, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 638, 639,
 &end
#
#   82 LYS  HN           81 PRO  HB+         3.50    (#   1130:20  Unique         2.83, 3.32 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1251,1252,
 &end
#
#   81 PRO  HA           81 PRO  HB+         2.80    (#   1131:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1251,1252,
 &end
#
#   81 PRO  HD+          81 PRO  HB+         4.50    (#   1132:20  Unique         2.81, 3.69 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1245,1246,
 igr2=1251,1252,
 &end
#
#    0 AMB  20-2:1134     0 AMB  20-1:1134   4.50    (#   1134:20  Double Ambig)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 248, 249, 145,
 igr2= 262, 263, 121, 122,
 &end
#
#    0 AMB  20-2:1135     0 AMB  20-1:1135   3.50    (#   1135:20  Double Ambig)
 &rst
  ixpk= 1135, 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
#
#   82 LYS  HN           16 GLU  HB+         5.50    (#   1136:20  Unique         4.71, 5.70 A)
 &rst
  ixpk= 1136, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 262, 263,
 &end
#
#   59 GLU  HN           58 LYS  HB+         3.50    (#   1137:20  Unique         2.50, 3.25 A)
 &rst
  ixpk= 1137, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#   55 GLY  HA+          58 LYS  HB+         4.50    (#   1138:20  Unique         2.17, 3.53 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 867, 868,
 igr2= 903, 904,
 &end
#
#   58 LYS  HA           58 LYS  HB+         2.80    (#   1139:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1139, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 903, 904,
 &end
#
#   58 LYS  HG+          58 LYS  HB+         2.80    (#   1140:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 906, 907,
 igr2= 903, 904,
 &end
#
#   76 LYS  HA           76 LYS  HB+         2.80    (#   1141:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=1166,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1168,1169,
 &end
#
#   76 LYS  HN           76 LYS  HB+         3.50    (#   1142:20  Unique         2.33, 2.88 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1168,1169,
 &end
#
#    0 AMB  20-2:1143     0 AMB  20-1:1143   2.80    (#   1143:20  Double Ambig)
 &rst
  ixpk= 1143, 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  20-2:1144     0 AMB  20-1:1144   3.50    (#   1144:20  Double Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 942, 943, 944, 468, 469, 470, 472, 473, 474,1154,
      1155,1156,1158,1159,1160,
 igr2= 482, 483, 482, 483, 262, 263,
 &end
#
#   76 LYS  HN           76 LYS  HB-         3.50    (#   1145:20  Unique         2.33, 2.88 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1168,1169,
 &end
#
#   81 PRO  HA           81 PRO  HB-         3.50    (#   1146:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1251,1252,
 &end
#
#   58 LYS  HA           58 LYS  HB-         2.80    (#   1147:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1147, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 903, 904,
 &end
#
#    0 AMB  20-2:1148    58 LYS  HB-         3.50    (#   1148:20  Single Ambig)
 &rst
  ixpk= 1148, 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
#
#   59 GLU  HN           58 LYS  HB-         4.50    (#   1150:20  Unique         2.50, 3.25 A)
 &rst
  ixpk= 1150, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 903, 904,
 &end
#
#    0 AMB  20-2:1151    58 LYS  HB-         3.50    (#   1151:20  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1111,1112, 928, 929,
 igr2= 903, 904,
 &end
#
#    0 AMB  20-2:1153     0 AMB  20-1:1153   4.50    (#   1153:20  Double Ambig)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 258, 368, 369,
 igr2= 262, 263, 121, 122,
 &end
#
#   29 VAL  HN           29 VAL  HB          2.80    (#   1154:20  Unique         2.07, 2.19 A)
 &rst
  ixpk= 1154, 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    (#   1155:20  Unique         2.45, 2.71 A)
 &rst
  ixpk= 1155, nxpk= 20, iat= 408, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1156     0 AMB  20-1:1156   3.50    (#   1156:20  Double Ambig)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 775, 776, 464,
 igr2= 121, 122, 466,
 &end
#
#    0 AMB  20-2:1157    29 VAL  HB          2.80    (#   1157:20  Single Ambig)
 &rst
  ixpk= 1157, 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  20-2:1158    29 VAL  HB          2.80    (#   1158:20  Single Ambig)
 &rst
  ixpk= 1158, 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    (#   1159:20  Unique         3.02, 4.22 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1, 466, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 379, 380, 381,
 &end
#
#    0 AMB  20-2:1160    29 VAL  HB          3.50    (#   1160:20  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1, 466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 447, 478,
 &end
#
#   77 ASP  HN           76 LYS  HB+         5.50    (#   1161:20  Unique         2.70, 3.61 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1168,1169,
 &end
#
#   17 HIS  HN           16 GLU  HB+         5.50    (#   1162:20  Unique         2.61, 3.65 A)
 &rst
  ixpk= 1162, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 262, 263,
 &end
#
#    0 AMB  20-2:1163     0 AMB  20-1:1163   3.50    (#   1163:20  Double Ambig)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 260, 773,
 igr2= 262, 263, 121, 122,
 &end
#
#   16 GLU  HN           16 GLU  HB-         4.50    (#   1164:20  Unique         3.12, 3.82 A)
 &rst
  ixpk= 1164, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 262, 263,
 &end
#
#   25 PRO  HD+          28 GLU  HB+         4.50    (#   1165:20  Unique         2.56, 4.55 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 451, 452,
 &end
#
#   28 GLU  HA           28 GLU  HB-         3.50    (#   1166:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 1166, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 451, 452,
 &end
#
#   28 GLU  HN           28 GLU  HB+         4.50    (#   1167:20  Unique         2.52, 3.19 A)
 &rst
  ixpk= 1167, 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+         2.80    (#   1168:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 1168, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 451, 452,
 &end
#
#   28 GLU  HG-          28 GLU  HB+         2.80    (#   1169:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 454, 455,
 igr2= 451, 452,
 &end
#
#   24 ILE  QG2          28 GLU  HB+         4.50    (#   1170:20  Unique         3.23, 4.73 A)
 &rst
  ixpk= 1170, 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
#
#   29 VAL  HN           28 GLU  HB-         4.50    (#   1171:20  Unique         2.98, 3.79 A)
 &rst
  ixpk= 1171, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 451, 452,
 &end
#
#   25 PRO  HD+          28 GLU  HB-         3.50    (#   1172:20  Unique         2.56, 4.55 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 393, 394,
 igr2= 451, 452,
 &end
#
#   32 ARG  HD-          28 GLU  HB-         3.50    (#   1173:20  Unique         2.12, 2.99 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 525, 526,
 igr2= 451, 452,
 &end
#
#   24 ILE  QG2          28 GLU  HB-         3.50    (#   1174:20  Unique         3.23, 4.73 A)
 &rst
  ixpk= 1174, 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
#
#   29 VAL  HB            7 VAL  HB          3.50    (#   1175:20  Unique         3.55, 3.58 A)
 &rst
  ixpk= 1175, nxpk= 20, iat= 466, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HB            7 VAL  HB          3.50    (#   1176:20  Unique         3.55, 3.58 A)
 &rst
  ixpk= 1176, nxpk= 20, iat= 466, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 LEU  HN            7 VAL  HB          3.50    (#   1177:20  Unique         3.00, 3.25 A)
 &rst
  ixpk= 1177, nxpk= 20, iat= 406, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HN            7 VAL  HB          5.50    (#   1178:20  Unique         3.83, 3.89 A)
 &rst
  ixpk= 1178, nxpk= 20, iat= 101, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HA            7 VAL  HB          2.80    (#   1179:20  Unique         2.35, 2.39 A)
 &rst
  ixpk= 1179, nxpk= 20, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 LEU  HA            7 VAL  HB          3.50    (#   1180:20  Unique         2.70, 2.93 A)
 &rst
  ixpk= 1180, nxpk= 20, iat= 408, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1181     7 VAL  HB          3.50    (#   1181:20  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 893, 894, 895, 410, 411,
 &end
#
#    0 AMB  20-2:1182     7 VAL  HB          2.80    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, 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  MGX           7 VAL  HB          2.80    (#   1183:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1183, 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
#
#   32 ARG  HN            0 AMB  20-1:1184   3.50    (#   1184:20  Single Ambig)
 &rst
  ixpk= 1184, 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  20-1:1185   2.80    (#   1185:20  Single Ambig)
 &rst
  ixpk= 1185, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 504, 505, 504, 505,
 &end
#
#   31 GLU  HA            0 AMB  20-1:1186   2.80    (#   1186:20  Single Ambig)
 &rst
  ixpk= 1186, nxpk= 20, iat= 502,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:1187     0 AMB  20-1:1187   2.80    (#   1187:20  Double Ambig)
 &rst
  ixpk= 1187, 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
#
#   28 GLU  HA            0 AMB  20-1:1188   4.50    (#   1188:20  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:1189     0 AMB  20-1:1189   4.50    (#   1189:20  Double Ambig)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1234,1235, 350, 351,
 igr2=  50,  51,  50,  51,
 &end
#
#    0 AMB  20-2:1190     4 TRP  HB-         4.50    (#   1190:20  Single Ambig)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1234,1235, 350, 351,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:1191     7 VAL  HB          4.50    (#   1191:20  Single Ambig)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 402, 856,
 &end
#
#   51 GLY  HN            0 AMB  20-1:1192   4.50    (#   1192:20  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 20, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:1193     0 AMB  20-1:1193   5.50    (#   1193:20  Double Ambig)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 808, 809, 808, 809,
 igr2= 817, 818, 817, 818,
 &end
#
#   52 ARG  HA            0 AMB  20-1:1194   2.80    (#   1194:20  Single Ambig)
 &rst
  ixpk= 1194, 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  20-2:1195     0 AMB  20-1:1195   3.50    (#   1195:20  Double Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 823, 824, 823, 824, 823, 824,
 igr2= 817, 818, 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:1196     0 AMB  20-1:1196   2.80    (#   1196:20  Double Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 820, 821, 820, 821, 522, 523,
 igr2= 817, 818, 817, 818, 504, 505, 504, 505,
 &end
#
#   52 ARG  HN            0 AMB  20-1:1197   4.50    (#   1197:20  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 817, 818, 817, 818,
 &end
#
#   71 ASN  HN           58 LYS  HD-         4.50    (#   1199:20  Unique         3.68, 5.04 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1200    58 LYS  HD-         5.50    (#   1200:20  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1094, 976,
 igr2= 909, 910,
 &end
#
#   71 ASN  HB+          58 LYS  HD-         5.50    (#   1201:20  Unique         3.53, 5.05 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1202    58 LYS  HD-         3.50    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 912, 913, 912, 913,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1203    58 LYS  HD-         3.50    (#   1203:20  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 903, 904, 925, 926,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1204    58 LYS  HD-         4.50    (#   1204:20  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 928, 929,1111,1112,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1207    58 LYS  HD-         4.50    (#   1207:20  Single Ambig)
 &rst
  ixpk= 1207, 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
#
#    4 TRP  HA            4 TRP  HB+         3.50    (#   1208:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1208, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#   18 VAL  MGX           4 TRP  HB+         4.50    (#   1209:20  Unique         2.63, 6.09 A)
 &rst
  ixpk= 1209, 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=  50,  51,
 &end
#
#    5 ILE  HN            4 TRP  HB+         5.50    (#   1210:20  Unique         2.84, 3.77 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    4 TRP  HN            4 TRP  HB+         3.50    (#   1211:20  Unique         2.41, 3.13 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  46,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#   22 ILE  HN            4 TRP  HB+         5.50    (#   1212:20  Unique         3.96, 4.71 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#   21 ALA  HA            4 TRP  HB+         3.50    (#   1215:20  Unique         2.25, 3.08 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    5 ILE  HN            4 TRP  HB-         5.50    (#   1216:20  Unique         2.84, 3.77 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    4 TRP  HN            4 TRP  HB-         3.50    (#   1219:20  Unique         2.41, 3.13 A)
 &rst
  ixpk= 1219, 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    (#   1220:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1220, 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-         2.80    (#   1221:20  Unique         2.25, 3.08 A)
 &rst
  ixpk= 1221, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  50,  51,
 &end
#
#   18 VAL  MGX           4 TRP  HB-         4.50    (#   1222:20  Unique         2.63, 6.09 A)
 &rst
  ixpk= 1222, 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=  50,  51,
 &end
#
#    0 AMB  20-2:1223     0 AMB  20-1:1223   3.50    (#   1223:20  Double Ambig)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
 igr1= 942, 943, 944, 415, 416, 417, 419, 420, 421, 949,
       950, 951,
 igr2= 488, 489, 488, 489, 435, 436, 435, 436, 488, 489,
      
 &end
#
#   30 LYS  HA            0 AMB  20-1:1226   3.50    (#   1226:20  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1227     9 VAL  HB          4.50    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 161, 162, 399, 400,
 &end
#
#   11 GLU  HN            9 VAL  HB          4.50    (#   1228:20  Unique         2.23, 2.47 A)
 &rst
  ixpk= 1228, nxpk= 20, iat= 171, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 VAL  HA            9 VAL  HB          2.80    (#   1229:20  Unique         2.52, 2.55 A)
 &rst
  ixpk= 1229, nxpk= 20, iat= 143, 145, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:1230     9 VAL  HB          2.80    (#   1230:20  Single Ambig)
 &rst
  ixpk= 1230, 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    (#   1231:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1231, 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
#
#    9 VAL  MGX           9 VAL  HB          2.80    (#   1232:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1232, 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
#
#   30 LYS  HN            0 AMB  20-1:1233   4.50    (#   1233:20  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 488, 489, 488, 489,
 &end
#
#    9 VAL  HN            9 VAL  HB          4.50    (#   1234:20  Unique         3.47, 3.54 A)
 &rst
  ixpk= 1234, nxpk= 20, iat= 141, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1235     9 VAL  HB          4.50    (#   1235:20  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 161, 162, 396, 397,
 &end
#
#   51 GLY  HN           53 GLN  HB-         5.50    (#   1237:20  Unique         3.86, 5.86 A)
 &rst
  ixpk= 1237, nxpk= 20, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#   53 GLN  HA           53 GLN  HB-         3.50    (#   1238:20  Unique         2.32, 2.77 A)
 &rst
  ixpk= 1238, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 841, 842,
 &end
#
#    0 AMB  20-2:1239    53 GLN  HB-         5.50    (#   1239:20  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 775, 776, 786, 787,
 igr2= 841, 842,
 &end
#
#   53 GLN  HG+          53 GLN  HB-         2.80    (#   1240:20  Unique         2.27, 2.73 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 844, 845,
 igr2= 841, 842,
 &end
#
#    0 AMB  20-2:1241     0 AMB  20-1:1241   2.80    (#   1241:20  Double Ambig)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.34, r4= 8.09,
 igr1= 438, 439, 438, 439, 438, 439,1177,1178,1177,1178,
      1177,1178, 491, 492, 491, 492, 491, 492,
 igr2= 435, 436, 435, 436, 435, 436,1174,1175,1174,1175,
      1174,1175, 488, 489, 488, 489, 488, 489,
 &end
#
#   48 CYS  HB+          53 GLN  HB+         4.50    (#   1242:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 775, 776,
 igr2= 841, 842,
 &end
#
#   51 GLY  HN           53 GLN  HB+         5.50    (#   1243:20  Unique         3.86, 5.86 A)
 &rst
  ixpk= 1243, nxpk= 20, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#   53 GLN  HA           53 GLN  HB+         3.50    (#   1245:20  Unique         2.32, 2.77 A)
 &rst
  ixpk= 1245, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 841, 842,
 &end
#
#   26 LEU  MDX          53 GLN  HB-         3.50    (#   1247:20  Unique         2.23, 5.40 A)
 &rst
  ixpk= 1247, 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    (#   1248:20  Unique         2.85, 6.40 A)
 &rst
  ixpk= 1248, 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
#
#   27 LYS  HA            0 AMB  20-1:1249   4.50    (#   1249:20  Single Ambig)
 &rst
  ixpk= 1249, nxpk= 20, iat= 427,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 435, 436, 435, 436,
 &end
#
#   82 LYS  HE-          82 LYS  HD+         3.50    (#   1251:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#    0 AMB  20-2:1252     0 AMB  20-1:1252   3.50    (#   1252:20  Double Ambig)
 &rst
  ixpk= 1252, 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
#
#    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= 647, 648, 647, 648,
 igr2= 644, 645, 644, 645,
 &end
#
#   40 LYS  HG-          40 LYS  HD+         3.50    (#   1255:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 644, 645,
 &end
#
#   40 LYS  HN           40 LYS  HD+         5.50    (#   1256:20  Unique         2.12, 4.52 A)
 &rst
  ixpk= 1256, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 644, 645,
 &end
#
#   40 LYS  HN           40 LYS  HD-         4.50    (#   1257:20  Unique         2.12, 4.52 A)
 &rst
  ixpk= 1257, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 644, 645,
 &end
#
#   65 GLY  HA+          40 LYS  HD-         4.50    (#   1259:20  Unique         3.19, 4.89 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1019,1020,
 igr2= 644, 645,
 &end
#
#    0 AMB  20-2:1260    40 LYS  HD-         3.50    (#   1260:20  Single Ambig)
 &rst
  ixpk= 1260, 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  HG-          40 LYS  HD-         2.80    (#   1261:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 641, 642,
 igr2= 644, 645,
 &end
#
#    7 VAL  MGX          53 GLN  HB+         3.50    (#   1262:20  Unique         2.85, 6.40 A)
 &rst
  ixpk= 1262, 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  20-2:1263     0 AMB  20-1:1263   2.80    (#   1263:20  Double Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
 igr1= 921, 253, 254, 253, 254,
 igr2= 925, 926, 925, 926, 245, 246, 245, 246,
 &end
#
#   84 LYS  HN            0 AMB  20-1:1264   5.50    (#   1264:20  Single Ambig)
 &rst
  ixpk= 1264, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1306,1307,1306,1307,
 &end
#
#   84 LYS  HA            0 AMB  20-1:1265   5.50    (#   1265:20  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1306,1307,1306,1307,
 &end
#
#   18 VAL  HA           82 LYS  HD+         5.50    (#   1266:20  Unique         4.07, 5.03 A)
 &rst
  ixpk= 1266, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1268,1269,
 &end
#
#   82 LYS  HE+          82 LYS  HD+         3.50    (#   1268:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#   75 LEU  MDY          82 LYS  HD+         4.50    (#   1269:20  Unique         2.34, 5.48 A)
 &rst
  ixpk= 1269, 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
#
#   82 LYS  HE+          82 LYS  HD-         3.50    (#   1270:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1270, 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    (#   1271:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#   75 LEU  MDY          82 LYS  HD-         4.50    (#   1272:20  Unique         2.34, 5.48 A)
 &rst
  ixpk= 1272, 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
#
#    0 AMB  20-2:1274    82 LYS  HD-         3.50    (#   1274:20  Single Ambig)
 &rst
  ixpk= 1274, 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
#
#   52 ARG  HG+          53 GLN  HB+         4.50    (#   1275:20  Unique         4.33, 5.67 A)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 820, 821,
 igr2= 841, 842,
 &end
#
#   63 GLU  HN            0 AMB  20-1:1278   2.80    (#   1278:20  Single Ambig)
 &rst
  ixpk= 1278, 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  20-1:1279   3.50    (#   1279:20  Single Ambig)
 &rst
  ixpk= 1279, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:1280     0 AMB  20-1:1280   2.80    (#   1280:20  Double Ambig)
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 923, 987,
 igr2= 925, 926, 925, 926, 989, 990, 989, 990,
 &end
#
#   60 ILE  HA            0 AMB  20-1:1281   3.50    (#   1281:20  Single Ambig)
 &rst
  ixpk= 1281, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 989, 990, 989, 990,
 &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=10.49, r4=11.24,
 igr1= 942, 943, 944, 949, 950, 951,
 igr2= 989, 990, 989, 990, 925, 926, 925, 926,
 &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= 248, 249, 248, 249,1007,1008,
 igr2= 245, 246, 245, 246, 989, 990,
 &end
#
#    0 AMB  20-2:1284     0 AMB  20-1:1284   4.50    (#   1284:20  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 909, 910, 903, 904,
 igr2= 925, 926, 925, 926, 925, 926,
 &end
#
#   44 VAL  HN           68 HIS  HB+         4.50    (#   1286:20  Unique         3.65, 4.11 A)
 &rst
  ixpk= 1286, nxpk= 20, iat= 696,  -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    (#   1287:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1287, nxpk= 20, iat=1061,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1063,1064,
 &end
#
#   68 HIS  HN           68 HIS  HB+         4.50    (#   1288:20  Unique         2.62, 3.26 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1063,1064,
 &end
#
#   43 THR  MG2          68 HIS  HB+         4.50    (#   1289:20  Unique         2.29, 4.42 A)
 &rst
  ixpk= 1289, 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-         4.50    (#   1290:20  Unique         2.62, 3.26 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1063,1064,
 &end
#
#   44 VAL  HN           68 HIS  HB-         4.50    (#   1291:20  Unique         3.65, 4.11 A)
 &rst
  ixpk= 1291, nxpk= 20, iat= 696,  -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    (#   1292:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1292, 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-         5.50    (#   1294:20  Unique         2.29, 4.42 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 688, 689, 690,
 igr2=1063,1064,
 &end
#
#   60 ILE  QD1          56 GLN  HB+         3.50    (#   1295:20  Unique         3.12, 4.67 A)
 &rst
  ixpk= 1295, 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
#
#   81 PRO  HD-          19 GLN  HB+         5.50    (#   1296:20  Unique         2.43, 4.99 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2= 310, 311,
 &end
#
#   83 VAL  MGX          19 GLN  HB+         4.50    (#   1297:20  Unique         2.25, 4.61 A)
 &rst
  ixpk= 1297, 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    (#   1298:20  Unique         2.22, 2.55 A)
 &rst
  ixpk= 1298, 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    (#   1299:20  Unique         2.18, 2.73 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#   19 GLN  HN           19 GLN  HB-         3.50    (#   1300:20  Unique         2.22, 2.55 A)
 &rst
  ixpk= 1300, 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    (#   1301:20  Unique         2.18, 2.73 A)
 &rst
  ixpk= 1301, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#   81 PRO  HD-          19 GLN  HB-         5.50    (#   1302:20  Unique         2.43, 4.99 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2= 310, 311,
 &end
#
#   19 GLN  HG+          19 GLN  HB-         2.80    (#   1303:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 1303, 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    (#   1304:20  Unique         2.25, 4.61 A)
 &rst
  ixpk= 1304, 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  20-2:1305     0 AMB  20-1:1305   4.50    (#   1305:20  Double Ambig)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 925, 926, 925, 926, 989, 990,
 igr2= 946, 947, 946, 947, 946, 947,
 &end
#
#   60 ILE  HA           60 ILE  HG1+        3.50    (#   1306:20  Unique         2.46, 2.65 A)
 &rst
  ixpk= 1306, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 946, 947,
 &end
#
#    0 AMB  20-2:1307     0 AMB  20-1:1307   4.50    (#   1307:20  Double Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 925, 926, 925, 926, 989, 990,
 igr2= 946, 947, 946, 947, 946, 947,
 &end
#
#   45 LYS  HE+          45 LYS  HD+         3.50    (#   1309:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 725, 726,
 igr2= 722, 723,
 &end
#
#    0 AMB  20-2:1310     0 AMB  20-1:1310   2.80    (#   1310:20  Double Ambig)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 719, 720, 716, 717,
 igr2= 722, 723, 722, 723,
 &end
#
#   72 ALA  MB           45 LYS  HD+         5.50    (#   1311:20  Unique         3.08, 5.46 A)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1125,1126,1127,
 igr2= 722, 723,
 &end
#
#   45 LYS  HE-          45 LYS  HD-         3.50    (#   1313:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 725, 726,
 igr2= 722, 723,
 &end
#
#   43 THR  MG2          45 LYS  HD-         5.50    (#   1314:20  Unique         4.04, 5.66 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 688, 689, 690,
 igr2= 722, 723,
 &end
#
#   53 GLN  HA           56 GLN  HB+         4.50    (#   1317:20  Unique         2.40, 3.60 A)
 &rst
  ixpk= 1317, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#   16 GLU  HN            0 AMB  20-1:1318   3.50    (#   1318:20  Single Ambig)
 &rst
  ixpk= 1318, 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  20-1:1319   2.80    (#   1319:20  Single Ambig)
 &rst
  ixpk= 1319, 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  HN            0 AMB  20-1:1320   3.50    (#   1320:20  Single Ambig)
 &rst
  ixpk= 1320, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 175, 176, 175, 176,
 &end
#
#    0 AMB  20-2:1321    60 ILE  HG1-        5.50    (#   1321:20  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 955, 889, 899,
 igr2= 946, 947,
 &end
#
#   60 ILE  HN           60 ILE  HG1-        2.80    (#   1322:20  Unique         2.50, 3.21 A)
 &rst
  ixpk= 1322, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 946, 947,
 &end
#
#    0 AMB  20-2:1323     0 AMB  20-1:1323   3.50    (#   1323:20  Double Ambig)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1245,1246, 938,
 igr2= 310, 311, 946, 947,
 &end
#
#    0 AMB  20-2:1325    60 ILE  HG1-        2.80    (#   1325:20  Single Ambig)
 &rst
  ixpk= 1325, 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    (#   1326:20  Unique         2.50, 3.21 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 946, 947,
 &end
#
#    0 AMB  20-2:1328     0 AMB  20-1:1328   2.80    (#   1328:20  Double Ambig)
 &rst
  ixpk= 1328, 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
#
#    0 AMB  20-2:1329     0 AMB  20-1:1329   3.50    (#   1329:20  Double Ambig)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  18,  19,  18,  19,
 igr2= 722, 723, 722, 723,
 &end
#
#   11 GLU  HA            0 AMB  20-1:1330   2.80    (#   1330:20  Single Ambig)
 &rst
  ixpk= 1330, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 175, 176, 175, 176,
 &end
#
#   11 GLU  HN            0 AMB  20-1:1331   3.50    (#   1331:20  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 175, 176, 175, 176,
 &end
#
#   56 GLN  HA           56 GLN  HB+         3.50    (#   1332:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 876, 877,
 &end
#
#   58 LYS  HN           56 GLN  HB+         4.50    (#   1333:20  Unique         4.83, 5.18 A)
 &rst
  ixpk= 1333, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#   26 LEU  MDX          56 GLN  HB+         3.50    (#   1335:20  Unique         2.25, 3.40 A)
 &rst
  ixpk= 1335, 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
#
#   58 LYS  HN           56 GLN  HB-         4.50    (#   1336:20  Unique         4.83, 5.18 A)
 &rst
  ixpk= 1336, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#    0 AMB  20-2:1337     0 AMB  20-1:1337   2.80    (#   1337:20  Double Ambig)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 231, 232, 231, 232, 879, 880,
 igr2= 228, 229, 228, 229, 876, 877,
 &end
#
#   26 LEU  MDY          56 GLN  HB-         3.50    (#   1338:20  Unique         2.25, 3.40 A)
 &rst
  ixpk= 1338, 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
#
#   49 ASN  HN           48 CYS  HB+         5.50    (#   1339:20  Unique         2.02, 3.42 A)
 &rst
  ixpk= 1339, nxpk= 20, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 775, 776,
 &end
#
#    7 VAL  MGX          48 CYS  HB+         3.50    (#   1340:20  Unique         2.14, 4.99 A)
 &rst
  ixpk= 1340, 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    (#   1342:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 841, 842,
 igr2= 775, 776,
 &end
#
#   53 GLN  HB-          48 CYS  HB+         4.50    (#   1343:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 841, 842,
 igr2= 775, 776,
 &end
#
#    0 AMB  20-2:1344     0 AMB  20-1:1344   4.50    (#   1344:20  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 124, 125, 124, 125,
 igr2= 775, 776, 775, 776,
 &end
#
#   53 GLN  HB-          48 CYS  HB-         4.50    (#   1346:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 1346, 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    (#   1347:20  Unique         2.14, 4.99 A)
 &rst
  ixpk= 1347, 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    (#   1348:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 841, 842,
 igr2= 775, 776,
 &end
#
#   56 GLN  HA           56 GLN  HB-         2.80    (#   1349:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1349, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 876, 877,
 &end
#
#   14 GLN  HN           14 GLN  HB+         2.80    (#   1350:20  Unique         2.24, 2.98 A)
 &rst
  ixpk= 1350, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 228, 229,
 &end
#
#   15 GLN  HN           14 GLN  HB+         3.50    (#   1351:20  Unique         2.47, 3.49 A)
 &rst
  ixpk= 1351, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 228, 229,
 &end
#
#   14 GLN  HN           14 GLN  HB-         3.50    (#   1352:20  Unique         2.24, 2.98 A)
 &rst
  ixpk= 1352, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 228, 229,
 &end
#
#   15 GLN  HN           14 GLN  HB-         4.50    (#   1353:20  Unique         2.47, 3.49 A)
 &rst
  ixpk= 1353, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 228, 229,
 &end
#
#   12 GLN  HN            0 AMB  20-1:1354   3.50    (#   1354:20  Single Ambig)
 &rst
  ixpk= 1354, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 190, 191, 190, 191,
 &end
#
#    0 AMB  20-2:1355     0 AMB  20-1:1355   4.50    (#   1355:20  Double Ambig)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 127, 128, 127, 128,
 igr2= 190, 191, 190, 191,
 &end
#
#    9 VAL  MGX           0 AMB  20-1:1356   5.50    (#   1356:20  Single Ambig)
 &rst
  ixpk= 1356, 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= 190, 191, 190, 191,
 &end
#
#   12 GLN  HN            0 AMB  20-1:1357   4.50    (#   1357:20  Single Ambig)
 &rst
  ixpk= 1357, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 228, 229, 228, 229, 161, 162,
 &end
#
#   23 ASN  HD2+         25 PRO  HG+         5.50    (#   1359:20  Unique         2.17, 4.23 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:1360     0 AMB  20-1:1360   2.80    (#   1360:20  Double Ambig)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 158, 159, 158, 159, 226,
 igr2= 161, 162, 161, 162, 228, 229,
 &end
#
#   25 PRO  HD+          25 PRO  HG+         3.50    (#   1361:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1361, 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    (#   1362:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:1363     0 AMB  20-1:1363   3.50    (#   1363:20  Double Ambig)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 143,1254,
 igr2= 396, 397,1248,1249,
 &end
#
#   81 PRO  HD-          81 PRO  HG+         3.50    (#   1364:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1245,1246,
 igr2=1248,1249,
 &end
#
#    0 AMB  20-2:1365     0 AMB  20-1:1365   3.50    (#   1365:20  Double Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 143,1254,
 igr2= 396, 397,1248,1249,
 &end
#
#    0 AMB  20-2:1366     0 AMB  20-1:1366   2.80    (#   1366:20  Double Ambig)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1245,1246, 402,
 igr2=1248,1249, 396, 397,
 &end
#
#   23 ASN  HD2+         25 PRO  HG-         5.50    (#   1367:20  Unique         2.17, 4.23 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 396, 397,
 &end
#
#   25 PRO  HD+          25 PRO  HG-         3.50    (#   1368:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   78 ILE  HN           78 ILE  HG1-        3.50    (#   1369:20  Unique         1.78, 3.27 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#   78 ILE  QD1          78 ILE  HG1-        2.80    (#   1371:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 1371, 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
#
#   78 ILE  HA           78 ILE  HG1-        3.50    (#   1372:20  Unique         2.25, 3.37 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#   61 LEU  HN           61 LEU  HG          3.50    (#   1373:20  Unique         2.28, 2.42 A)
 &rst
  ixpk= 1373, 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    (#   1374:20  Unique         2.73, 3.13 A)
 &rst
  ixpk= 1374, nxpk= 20, iat= 957, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1375    61 LEU  HG          2.80    (#   1375:20  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 &end
#
#   61 LEU  HB-          61 LEU  HG          3.50    (#   1376:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 959, 960,
 &end
#
#   78 ILE  HA           78 ILE  HG1+        3.50    (#   1377:20  Unique         2.25, 3.37 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#   78 ILE  QD1          78 ILE  HG1+        2.80    (#   1379:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 1379, 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
#
#   78 ILE  HN           78 ILE  HG1+        4.50    (#   1380:20  Unique         1.78, 3.27 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:1381     0 AMB  20-1:1381   3.50    (#   1381:20  Double Ambig)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1125,1126,1127,1202,
 igr2=1208,1209,1208,1209,
 &end
#
#   10 PRO  HA           10 PRO  HG+         4.50    (#   1382:20  Unique         2.83, 3.68 A)
 &rst
  ixpk= 1382, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 161, 162,
 &end
#
#   11 GLU  HN           10 PRO  HG+         5.50    (#   1383:20  Unique         2.79, 4.23 A)
 &rst
  ixpk= 1383, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 161, 162,
 &end
#
#   81 PRO  HB-          81 PRO  HG+         2.80    (#   1384:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1251,1252,
 igr2=1248,1249,
 &end
#
#   81 PRO  HD+          81 PRO  HG+         2.80    (#   1385:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1245,1246,
 igr2=1248,1249,
 &end
#
#   81 PRO  HD-          81 PRO  HG-         3.50    (#   1386:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1386, 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    (#   1387:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1251,1252,
 igr2=1248,1249,
 &end
#
#   32 ARG  HN           32 ARG  HG+         4.50    (#   1388:20  Unique         2.28, 3.28 A)
 &rst
  ixpk= 1388, 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    (#   1389:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1389, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 522, 523,
 &end
#
#    0 AMB  20-2:1390     0 AMB  20-1:1390   2.80    (#   1390:20  Double Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 525, 526, 525, 526,
 igr2= 522, 523, 522, 523,
 &end
#
#   32 ARG  HN           32 ARG  HG-         4.50    (#   1391:20  Unique         2.28, 3.28 A)
 &rst
  ixpk= 1391, 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    (#   1392:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1392, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 522, 523,
 &end
#
#    0 AMB  20-2:1393    61 LEU  HG          2.80    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 959, 960, 940,
 &end
#
#   25 PRO  HB-          25 PRO  HG+         2.80    (#   1394:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 399, 400,
 igr2= 396, 397,
 &end
#
#   28 GLU  HN           25 PRO  HG-         5.50    (#   1395:20  Unique         5.05, 5.79 A)
 &rst
  ixpk= 1395, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 396, 397,
 &end
#
#   25 PRO  HD-          25 PRO  HG-         2.80    (#   1396:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:1398     0 AMB  20-1:1398   4.50    (#   1398:20  Double Ambig)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 117, 849, 850, 849, 850,
 igr2= 124, 125, 124, 125, 124, 125,
 &end
#
#    0 AMB  20-2:1399     0 AMB  20-1:1399   4.50    (#   1399:20  Double Ambig)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 127, 128, 127, 128,
 igr2= 124, 125, 124, 125,
 &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= 5.34, r4= 6.09,
 igr1= 817, 818, 817, 818, 504, 505, 504, 505,
 igr2= 820, 821, 820, 821, 522, 523,
 &end
#
#    0 AMB  20-2:1402     0 AMB  20-1:1402   2.80    (#   1402:20  Double Ambig)
 &rst
  ixpk= 1402, 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
#
#    8 ARG  HN           25 PRO  HG-         5.50    (#   1403:20  Unique         4.51, 5.78 A)
 &rst
  ixpk= 1403, nxpk= 20, iat= 117,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 396, 397,
 &end
#
#    8 ARG  HD-           0 AMB  20-1:1405   4.50    (#   1405:20  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 127, 128,
 igr2= 124, 125, 124, 125,
 &end
#
#    0 AMB  20-2:1406     0 AMB  20-1:1406   4.50    (#   1406:20  Double Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 815, 839,
 igr2= 820, 821, 820, 821,
 &end
#
#    0 AMB  20-2:1407    52 ARG  HG-         4.50    (#   1407:20  Single Ambig)
 &rst
  ixpk= 1407, 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  20-2:1408    52 ARG  HG-         3.50    (#   1408:20  Single Ambig)
 &rst
  ixpk= 1408, 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
#
#   64 MET  HB-          61 LEU  HG          5.50    (#   1409:20  Unique         4.68, 5.88 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1004,1005,
 &end
#
#    0 AMB  20-2:1410     0 AMB  20-1:1410   2.80    (#   1410:20  Double Ambig)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 615, 616, 615, 616,
 igr2= 612, 613, 612, 613,
 &end
#
#   27 LYS  HN           26 LEU  HG          5.50    (#   1411:20  Unique         3.56, 3.82 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 425, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   39 ASP  HN            0 AMB  20-1:1412   4.50    (#   1412:20  Single Ambig)
 &rst
  ixpk= 1412, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 612, 613, 612, 613,
 &end
#
#   35 THR  HA            0 AMB  20-1:1413   4.50    (#   1413:20  Single Ambig)
 &rst
  ixpk= 1413, nxpk= 20, iat= 570,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 612, 613, 612, 613,
 &end
#
#    0 AMB  20-2:1414     0 AMB  20-1:1414   2.80    (#   1414:20  Double Ambig)
 &rst
  ixpk= 1414, 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  20-1:1415   2.80    (#   1415:20  Single Ambig)
 &rst
  ixpk= 1415, 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  HN           26 LEU  HG          5.50    (#   1416:20  Unique         4.46, 4.49 A)
 &rst
  ixpk= 1416, nxpk= 20, iat= 406, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HA           26 LEU  HG          4.50    (#   1417:20  Unique         3.10, 3.26 A)
 &rst
  ixpk= 1417, nxpk= 20, iat= 408, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  MDY          26 LEU  HG          2.80    (#   1418:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1418, 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
#
#   22 ILE  HN           22 ILE  HG1-        4.50    (#   1419:20  Unique         1.90, 2.70 A)
 &rst
  ixpk= 1419, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 350, 351,
 &end
#
#   22 ILE  HA           22 ILE  HG1-        5.50    (#   1420:20  Unique         2.67, 3.65 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#   22 ILE  HN           22 ILE  HG1+        3.50    (#   1421:20  Unique         1.90, 2.70 A)
 &rst
  ixpk= 1421, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 350, 351,
 &end
#
#   22 ILE  HA           22 ILE  HG1+        5.50    (#   1422:20  Unique         2.67, 3.65 A)
 &rst
  ixpk= 1422, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#    5 ILE  HA           22 ILE  HG1-        4.50    (#   1423:20  Unique         2.69, 3.42 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:1424     0 AMB  20-1:1424   3.50    (#   1424:20  Double Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 344,1208,1209,
 igr2= 350, 351,1152,
 &end
#
#    0 AMB  20-2:1425    22 ILE  HG1-        4.50    (#   1425:20  Single Ambig)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  80,  81,  80,  81,
 igr2= 350, 351,
 &end
#
#    5 ILE  HA           22 ILE  HG1+        5.50    (#   1426:20  Unique         2.69, 3.42 A)
 &rst
  ixpk= 1426, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#   22 ILE  HB           22 ILE  HG1+        3.50    (#   1427:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 1427, nxpk= 20, iat= 344,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 350, 351,
 &end
#
#   75 LEU  HB+          75 LEU  HG          3.50    (#   1428:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#   75 LEU  MDY          75 LEU  HG          3.50    (#   1429:20  Unique         2.28, 2.65 A)
 &rst
  ixpk= 1429, 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
#
#    5 ILE  HN            0 AMB  20-1:1430   4.50    (#   1430:20  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  80,  81,  80,  81,
 &end
#
#    5 ILE  HA            0 AMB  20-1:1431   3.50    (#   1431:20  Single Ambig)
 &rst
  ixpk= 1431, 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  HB            0 AMB  20-1:1432   2.80    (#   1432:20  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 20, iat=  74,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1433     0 AMB  20-1:1433   2.80    (#   1433:20  Double Ambig)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=  76,  77,  78,  83,  84,  85, 386, 387, 388,
 igr2=  80,  81,  80,  81,  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1434     0 AMB  20-1:1434   2.80    (#   1434:20  Double Ambig)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1154,1155,1156,1158,1159,1160, 353, 354, 355, 346,
       347, 348,
 igr2=1152, 350, 351,
 &end
#
#   33 ILE  HB           33 ILE  HG1-        3.50    (#   1435:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1435, nxpk= 20, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 549, 550,
 &end
#
#   37 VAL  HN           33 ILE  HG1-        5.50    (#   1436:20  Unique         3.43, 4.60 A)
 &rst
  ixpk= 1436, 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    (#   1437:20  Unique         2.84, 3.39 A)
 &rst
  ixpk= 1437, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 549, 550,
 &end
#
#   33 ILE  QG2          33 ILE  HG1-        3.50    (#   1438:20  Unique         2.39, 3.17 A)
 &rst
  ixpk= 1438, 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  20-2:1439    33 ILE  HG1-        2.80    (#   1439:20  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2= 549, 550,
 &end
#
#   37 VAL  MGX          33 ILE  HG1-        5.50    (#   1440:20  Unique         3.11, 5.42 A)
 &rst
  ixpk= 1440, 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
#
#   75 LEU  HA           75 LEU  MDX         5.50    (#   1441:20  Unique         2.17, 3.86 A)
 &rst
  ixpk= 1441, 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
#
#   75 LEU  HG           75 LEU  MDX         2.80    (#   1442:20  Unique         2.28, 2.65 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   33 ILE  HA           33 ILE  HG1+        5.50    (#   1443:20  Unique         2.84, 3.39 A)
 &rst
  ixpk= 1443, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 549, 550,
 &end
#
#   33 ILE  HB           33 ILE  HG1+        3.50    (#   1444:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1444, nxpk= 20, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 549, 550,
 &end
#
#   33 ILE  QG2          33 ILE  HG1+        3.50    (#   1445:20  Unique         2.39, 3.17 A)
 &rst
  ixpk= 1445, 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  20-2:1446     0 AMB  20-1:1446   2.80    (#   1446:20  Double Ambig)
 &rst
  ixpk= 1446, 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
#
#   12 GLN  HE2-         75 LEU  MDX         5.50    (#   1448:20  Unique         1.92, 4.43 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 198, 199,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1449    75 LEU  MDX         5.50    (#   1449:20  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 190, 191, 190, 191,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HB+          75 LEU  MDX         3.50    (#   1450:20  Unique         2.27, 3.39 A)
 &rst
  ixpk= 1450, 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
#
#   17 HIS  HA           75 LEU  MDX         5.50    (#   1453:20  Unique         2.36, 4.56 A)
 &rst
  ixpk= 1453, nxpk= 20, iat= 275,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1454    75 LEU  MDX         3.50    (#   1454:20  Single Ambig)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 265, 266,1208,1209, 262, 263,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   26 LEU  HG           26 LEU  MDX         2.80    (#   1455:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1455, 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
#
#   24 ILE  HN           24 ILE  HG1-        5.50    (#   1456:20  Unique         2.94, 3.49 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 383, 384,
 &end
#
#   24 ILE  HA           24 ILE  HG1-        4.50    (#   1457:20  Unique         2.50, 3.01 A)
 &rst
  ixpk= 1457, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:1458    24 ILE  HG1-        3.50    (#   1458:20  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 377, 350, 351,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:1459    24 ILE  HG1-        2.80    (#   1459:20  Single Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 386, 387, 388,  76,  77,  78, 379, 380, 381,  83,
        84,  85,
 igr2= 383, 384,
 &end
#
#   26 LEU  HN           26 LEU  MDX         5.50    (#   1460:20  Unique         4.44, 5.08 A)
 &rst
  ixpk= 1460, 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
#
#   53 GLN  HA           26 LEU  MDX         4.50    (#   1461:20  Unique         2.35, 4.57 A)
 &rst
  ixpk= 1461, 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  20-2:1462    26 LEU  MDX         4.50    (#   1462:20  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 408, 891,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   53 GLN  HG+          26 LEU  MDX         4.50    (#   1463:20  Unique         2.81, 6.25 A)
 &rst
  ixpk= 1463, 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
#
#    0 AMB  20-2:1464    26 LEU  MDX         2.80    (#   1464:20  Single Ambig)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 841, 842, 876, 877, 879, 880,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   56 GLN  HB-          26 LEU  MDX         3.50    (#   1465:20  Unique         2.25, 3.40 A)
 &rst
  ixpk= 1465, 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  20-2:1466    26 LEU  MDX         2.80    (#   1466:20  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 841, 842, 410, 411,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1467    26 LEU  MDX         3.50    (#   1467:20  Single Ambig)
 &rst
  ixpk= 1467, 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+        4.50    (#   1468:20  Unique         2.50, 3.01 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:1469     0 AMB  20-1:1469   4.50    (#   1469:20  Double Ambig)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 519, 520, 344,
 igr2= 383, 384, 383, 384,
 &end
#
#    0 AMB  20-2:1470     0 AMB  20-1:1470   3.50    (#   1470:20  Double Ambig)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 377, 350, 351,
 igr2= 383, 384, 383, 384,
 &end
#
#    0 AMB  20-2:1471     0 AMB  20-1:1471   2.80    (#   1471:20  Double Ambig)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
 igr1= 386, 387, 388,  76,  77,  78, 379, 380, 381,  83,
        84,  85,
 igr2= 383, 384, 383, 384, 383, 384, 383, 384,
 &end
#
#   30 LYS  HN           30 LYS  HG+         4.50    (#   1474:20  Unique         2.05, 3.52 A)
 &rst
  ixpk= 1474, 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    (#   1475:20  Unique         2.25, 2.87 A)
 &rst
  ixpk= 1475, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:1476     0 AMB  20-1:1476   4.50    (#   1476:20  Double Ambig)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 491, 492, 491, 492,1007,1008,
 igr2= 485, 486, 485, 486, 485, 486,
 &end
#
#    0 AMB  20-2:1477     0 AMB  20-1:1477   5.50    (#   1477:20  Double Ambig)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1011,1012,1013, 507, 508, 507, 508,
 igr2= 485, 486, 485, 486, 485, 486,
 &end
#
#   30 LYS  HA           30 LYS  HG-         4.50    (#   1478:20  Unique         2.25, 2.87 A)
 &rst
  ixpk= 1478, 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+         4.50    (#   1479:20  Unique         2.06, 2.84 A)
 &rst
  ixpk= 1479, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#   40 LYS  HA           40 LYS  HG+         4.50    (#   1480:20  Unique         2.49, 3.53 A)
 &rst
  ixpk= 1480, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#   43 THR  MG2          45 LYS  HG+         4.50    (#   1481:20  Unique         2.29, 4.10 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690,
 igr2= 719, 720,
 &end
#
#   40 LYS  HN           40 LYS  HG-         4.50    (#   1482:20  Unique         2.06, 2.84 A)
 &rst
  ixpk= 1482, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#   40 LYS  HA           40 LYS  HG-         4.50    (#   1483:20  Unique         2.49, 3.53 A)
 &rst
  ixpk= 1483, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#   40 LYS  HB-          40 LYS  HG-         3.50    (#   1484:20  Unique         2.22, 2.75 A)
 &rst
  ixpk= 1484, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
#   60 ILE  HG1+         30 LYS  HG+         4.50    (#   1485:20  Unique         3.17, 5.48 A)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 946, 947,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:1486     0 AMB  20-1:1486   3.50    (#   1486:20  Double Ambig)
 &rst
  ixpk= 1486, 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    (#   1487:20  Unique         2.22, 2.75 A)
 &rst
  ixpk= 1487, 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  HN           45 LYS  HG+         5.50    (#   1488:20  Unique         2.68, 3.58 A)
 &rst
  ixpk= 1488, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 719, 720,
 &end
#
#    0 AMB  20-2:1489    40 LYS  HG-         4.50    (#   1489:20  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 647, 648, 647, 648,
 igr2= 641, 642,
 &end
#
#   40 LYS  HB+          40 LYS  HG-         3.50    (#   1490:20  Unique         2.22, 2.75 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
#    0 AMB  20-2:1491     0 AMB  20-1:1491   4.50    (#   1491:20  Double Ambig)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 942, 943, 944, 468, 469, 470, 472, 473, 474,
 igr2= 485, 486, 485, 486,
 &end
#
#   30 LYS  HN           30 LYS  HG-         4.50    (#   1492:20  Unique         2.05, 3.52 A)
 &rst
  ixpk= 1492, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 485, 486,
 &end
#
#   45 LYS  HE+          45 LYS  HG+         4.50    (#   1493:20  Unique         2.38, 2.94 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 725, 726,
 igr2= 719, 720,
 &end
#
#   70 GLU  HB-          45 LYS  HG+         3.50    (#   1494:20  Unique         2.27, 3.98 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1096,1097,
 igr2= 719, 720,
 &end
#
#   45 LYS  HA           45 LYS  HG-         4.50    (#   1495:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 1495, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 719, 720,
 &end
#
#   45 LYS  HN           45 LYS  HG-         4.50    (#   1496:20  Unique         2.68, 3.58 A)
 &rst
  ixpk= 1496, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 719, 720,
 &end
#
#    0 AMB  20-2:1497     0 AMB  20-1:1497   3.50    (#   1497:20  Double Ambig)
 &rst
  ixpk= 1497, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1= 725, 726,1004,1005,
 igr2= 719, 720, 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1498     0 AMB  20-1:1498   3.50    (#   1498:20  Double Ambig)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 545, 546, 547, 688, 689, 690,
 igr2= 964, 965, 966, 968, 969, 970, 719, 720,
 &end
#
#    0 AMB  20-2:1499    61 LEU  MDY         4.50    (#   1499:20  Single Ambig)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 955, 899,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1500     0 AMB  20-1:1500   2.80    (#   1500:20  Double Ambig)
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1096,1097, 959, 960, 543,  18,  19,  18,  19,
 igr2= 719, 720, 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1501     0 AMB  20-1:1501   4.50    (#   1501:20  Double Ambig)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 893, 894, 895,1125,1126,1127,
 igr2= 964, 965, 966, 968, 969, 970, 719, 720,
 &end
#
#   27 LYS  HN            0 AMB  20-1:1502   3.50    (#   1502:20  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 432, 433, 432, 433,
 &end
#
#   27 LYS  HA            0 AMB  20-1:1503   4.50    (#   1503:20  Single Ambig)
 &rst
  ixpk= 1503, nxpk= 20, iat= 427,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 432, 433, 432, 433,
 &end
#
#    0 AMB  20-2:1504     0 AMB  20-1:1504   4.50    (#   1504:20  Double Ambig)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 447,1280,
 igr2= 432, 433, 432, 433,1303,1304,1303,1304,
 &end
#
#   26 LEU  MDY           0 AMB  20-1:1505   3.50    (#   1505:20  Single Ambig)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 432, 433, 432, 433,
 &end
#
#    0 AMB  20-2:1506    58 LYS  HG-         3.50    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, 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= 906, 907,
 &end
#
#   61 LEU  MDY          58 LYS  HG-         5.50    (#   1507:20  Unique         4.38, 7.56 A)
 &rst
  ixpk= 1507, 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= 906, 907,
 &end
#
#   61 LEU  HA           61 LEU  MDY         4.50    (#   1508:20  Unique         2.15, 3.75 A)
 &rst
  ixpk= 1508, 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  20-2:1509    61 LEU  MDY         5.50    (#   1509:20  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 901, 480,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1510    61 LEU  MDY         2.80    (#   1510:20  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 962, 638, 639,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1511    61 LEU  MDY         3.50    (#   1511:20  Single Ambig)
 &rst
  ixpk= 1511, 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  20-2:1512     0 AMB  20-1:1512   2.80    (#   1512:20  Double Ambig)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.82, r4= 7.57,
 igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088, 722, 723,
       740, 741, 742, 744, 745, 746,
 igr2= 964, 965, 966, 968, 969, 970, 719, 720,
 &end
#
#    0 AMB  20-2:1513     0 AMB  20-1:1513   3.50    (#   1513:20  Double Ambig)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
 igr1=1309,1310,1309,1310,1309,1310, 438, 439, 438, 439,
       438, 439,
 igr2=1303,1304,1303,1304,1303,1304, 432, 433, 432, 433,
       432, 433,
 &end
#
#    0 AMB  20-2:1514     0 AMB  20-1:1514   2.80    (#   1514:20  Double Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1=1300,1301,1300,1301, 429, 430, 429, 430,
 igr2=1303,1304,1303,1304, 432, 433, 432, 433,
 &end
#
#   58 LYS  HD+          58 LYS  HG+         2.80    (#   1515:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 909, 910,
 igr2= 906, 907,
 &end
#
#   84 LYS  HN            0 AMB  20-1:1516   3.50    (#   1516:20  Single Ambig)
 &rst
  ixpk= 1516, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1303,1304,1303,1304,
 &end
#
#   84 LYS  HA            0 AMB  20-1:1517   3.50    (#   1517:20  Single Ambig)
 &rst
  ixpk= 1517, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:1519     0 AMB  20-1:1519   4.50    (#   1519:20  Double Ambig)
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1271,1272,1007,1008,
 igr2=1265,1266, 485, 486,
 &end
#
#   82 LYS  HN           82 LYS  HG+         4.50    (#   1520:20  Unique         2.86, 3.74 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1265,1266,
 &end
#
#   18 VAL  HA           82 LYS  HG+         5.50    (#   1521:20  Unique         2.12, 2.81 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#   58 LYS  HN           58 LYS  HG+         5.50    (#   1523:20  Unique         4.44, 4.58 A)
 &rst
  ixpk= 1523, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 906, 907,
 &end
#
#   58 LYS  HA           58 LYS  HG+         4.50    (#   1524:20  Unique         2.32, 2.97 A)
 &rst
  ixpk= 1524, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1525     0 AMB  20-1:1525   3.50    (#   1525:20  Double Ambig)
 &rst
  ixpk= 1525, 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    (#   1526:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 903, 904,
 igr2= 906, 907,
 &end
#
#   69 VAL  HB           58 LYS  HG+         3.50    (#   1527:20  Unique         2.24, 3.49 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=1080,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1528    58 LYS  HG-         3.50    (#   1528:20  Single Ambig)
 &rst
  ixpk= 1528, 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
#
#   58 LYS  HB+          58 LYS  HG-         3.50    (#   1529:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1529, 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    (#   1530:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 909, 910,
 igr2= 906, 907,
 &end
#
#   58 LYS  HA           58 LYS  HG-         4.50    (#   1531:20  Unique         2.32, 2.97 A)
 &rst
  ixpk= 1531, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 906, 907,
 &end
#
#   69 VAL  HB           58 LYS  HG-         4.50    (#   1532:20  Unique         2.24, 3.49 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=1080,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1533    82 LYS  HG-         4.50    (#   1533:20  Single Ambig)
 &rst
  ixpk= 1533, 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=1265,1266,
 &end
#
#   82 LYS  HE-          82 LYS  HG-         4.50    (#   1535:20  Unique         2.23, 3.12 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1271,1272,
 igr2=1265,1266,
 &end
#
#   85 GLY  HN            0 AMB  20-1:1536   5.50    (#   1536:20  Single Ambig)
 &rst
  ixpk= 1536, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1303,1304,1303,1304,
 &end
#
#   82 LYS  HN           82 LYS  HG-         5.50    (#   1537:20  Unique         2.86, 3.74 A)
 &rst
  ixpk= 1537, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#   82 LYS  HE+          82 LYS  HG-         5.50    (#   1538:20  Unique         2.23, 3.12 A)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:1540    61 LEU  MDX         5.50    (#   1540:20  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 480, 891,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   64 MET  HB-          61 LEU  MDX         4.50    (#   1541:20  Unique         3.11, 5.76 A)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1004,1005,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   64 MET  ME           61 LEU  MDX         5.50    (#   1542:20  Unique         2.21, 6.97 A)
 &rst
  ixpk= 1542, 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  20-2:1543    61 LEU  MDX         3.50    (#   1543:20  Single Ambig)
 &rst
  ixpk= 1543, 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
#
#    0 AMB  20-2:1544    61 LEU  MDX         3.50    (#   1544:20  Single Ambig)
 &rst
  ixpk= 1544, 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
#
#   61 LEU  HN           61 LEU  MDX         4.50    (#   1545:20  Unique         2.76, 4.37 A)
 &rst
  ixpk= 1545, nxpk= 20, iat= 955,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   29 VAL  HN           61 LEU  MDX         5.50    (#   1546:20  Unique         6.34, 7.81 A)
 &rst
  ixpk= 1546, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HA           61 LEU  MDX         3.50    (#   1548:20  Unique         2.15, 3.75 A)
 &rst
  ixpk= 1548, 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
#
#    0 AMB  20-2:1549    61 LEU  MDX         3.50    (#   1549:20  Single Ambig)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 962, 638, 639,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   29 VAL  MGY          61 LEU  MDX         2.80    (#   1550:20  Unique         2.16, 5.01 A)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 468, 469, 470, 472, 473, 474,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1551    61 LEU  MDX         2.80    (#   1551:20  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 468, 469, 470, 472, 473, 474, 702, 703, 704, 706,
       707, 708,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   30 LYS  HN           29 VAL  MGY         4.50    (#   1552:20  Unique         2.30, 4.24 A)
 &rst
  ixpk= 1552, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   26 LEU  HN           29 VAL  MGY         5.50    (#   1553:20  Unique         5.08, 6.33 A)
 &rst
  ixpk= 1553, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1554    29 VAL  MGY         5.50    (#   1554:20  Single Ambig)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 957, 427, 375,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1555    29 VAL  MGY         3.50    (#   1555:20  Single Ambig)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 543, 940, 482, 483,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HN           29 VAL  MGY         3.50    (#   1556:20  Unique         2.31, 3.90 A)
 &rst
  ixpk= 1556, 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
#
#    0 AMB  20-2:1557    29 VAL  MGY         2.80    (#   1557:20  Single Ambig)
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 891, 408,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HA           29 VAL  MGY         2.80    (#   1558:20  Unique         2.37, 3.46 A)
 &rst
  ixpk= 1558, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    7 VAL  HB           29 VAL  MGY         4.50    (#   1559:20  Unique         3.43, 4.77 A)
 &rst
  ixpk= 1559, 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
#
#   29 VAL  HB           29 VAL  MGY         2.80    (#   1560:20  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1560, 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
#
#   24 ILE  QG2          29 VAL  MGY         2.80    (#   1561:20  Unique         2.30, 5.28 A)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 379, 380, 381,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   17 HIS  HA           75 LEU  MDY         3.50    (#   1562:20  Unique         2.36, 4.56 A)
 &rst
  ixpk= 1562, 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
#
#   18 VAL  HN           75 LEU  MDY         5.50    (#   1563:20  Unique         1.88, 4.27 A)
 &rst
  ixpk= 1563, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   12 GLN  HE2-         75 LEU  MDY         5.50    (#   1564:20  Unique         1.92, 4.43 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 198, 199,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   75 LEU  HA           75 LEU  MDY         3.50    (#   1566:20  Unique         2.17, 3.86 A)
 &rst
  ixpk= 1566, 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         3.50    (#   1567:20  Unique         2.12, 4.82 A)
 &rst
  ixpk= 1567, 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    (#   1568:20  Unique         2.27, 3.39 A)
 &rst
  ixpk= 1568, 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  20-2:1569    75 LEU  MDY         3.50    (#   1569:20  Single Ambig)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 265, 266,1208,1209, 262, 263,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:1570    75 LEU  MDY         2.80    (#   1570:20  Single Ambig)
 &rst
  ixpk= 1570, 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         2.80    (#   1572:20  Unique         2.21, 5.59 A)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   78 ILE  HN           75 LEU  MDY         4.50    (#   1573:20  Unique         3.95, 6.32 A)
 &rst
  ixpk= 1573, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   82 LYS  HE+          75 LEU  MDY         4.50    (#   1574:20  Unique         2.12, 4.82 A)
 &rst
  ixpk= 1574, 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
#
#   76 LYS  HA            0 AMB  20-1:1576   4.50    (#   1576:20  Single Ambig)
 &rst
  ixpk= 1576, nxpk= 20, iat=1166,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1171,1172,1171,1172,
 &end
#
#   76 LYS  HN            0 AMB  20-1:1577   3.50    (#   1577:20  Single Ambig)
 &rst
  ixpk= 1577, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1171,1172,1171,1172,
 &end
#
#   77 ASP  HN            0 AMB  20-1:1578   4.50    (#   1578:20  Single Ambig)
 &rst
  ixpk= 1578, 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  20-2:1579     0 AMB  20-1:1579   3.50    (#   1579:20  Double Ambig)
 &rst
  ixpk= 1579, 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
#
#    0 AMB  20-2:1580     0 AMB  20-1:1580   2.80    (#   1580:20  Double Ambig)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1168,1169,1168,1169,
 igr2=1171,1172,1171,1172,
 &end
#
#    0 AMB  20-2:1581    26 LEU  MDY         2.80    (#   1581:20  Single Ambig)
 &rst
  ixpk= 1581, 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
#
#    0 AMB  20-2:1582    26 LEU  MDY         3.50    (#   1582:20  Single Ambig)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 841, 842, 876, 877, 879, 880, 844, 845,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   56 GLN  HB-          26 LEU  MDY         3.50    (#   1583:20  Unique         2.25, 3.40 A)
 &rst
  ixpk= 1583, 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    (#   1584:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1584, 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  20-2:1585    26 LEU  MDY         2.80    (#   1585:20  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 893, 894, 895, 410, 411, 432, 433, 432, 433,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   58 LYS  HN           26 LEU  MDY         4.50    (#   1586:20  Unique         5.03, 6.60 A)
 &rst
  ixpk= 1586, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   26 LEU  HN           26 LEU  MDY         5.50    (#   1587:20  Unique         4.44, 5.08 A)
 &rst
  ixpk= 1587, 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
#
#    0 AMB  20-2:1588     0 AMB  20-1:1588   4.50    (#   1588:20  Double Ambig)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1=1047, 957, 978, 979, 978, 979,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   61 LEU  HB-           0 AMB  20-1:1589   2.80    (#   1589:20  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 959, 960,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   69 VAL  HN            0 AMB  20-1:1590   3.50    (#   1590:20  Single Ambig)
 &rst
  ixpk= 1590, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1591     0 AMB  20-1:1591   3.50    (#   1591:20  Double Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1028,1029,1028,1029,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   66 TYR  HB-           0 AMB  20-1:1592   3.50    (#   1592:20  Single Ambig)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1028,1029,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    5 ILE  HN           46 VAL  MGY         5.50    (#   1593:20  Unique         3.74, 5.75 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1594    46 VAL  MGY         3.50    (#   1594:20  Single Ambig)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 734, 899,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HA           46 VAL  MGY         3.50    (#   1595:20  Unique         2.37, 3.49 A)
 &rst
  ixpk= 1595, 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
#
#   71 ASN  HA           46 VAL  MGY         5.50    (#   1596:20  Unique         2.14, 4.40 A)
 &rst
  ixpk= 1596, 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  20-2:1597    46 VAL  MGY         4.50    (#   1597:20  Single Ambig)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 858, 859, 901,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1598    46 VAL  MGY         2.80    (#   1598:20  Single Ambig)
 &rst
  ixpk= 1598, 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         4.50    (#   1599:20  Unique         2.50, 4.52 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 893, 894, 895,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1600     0 AMB  20-1:1600   2.80    (#   1600:20  Double Ambig)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
 igr2= 598, 599, 600, 602, 603, 604, 740, 741, 742, 744,
       745, 746,
 &end
#
#   18 VAL  HN           18 VAL  MGY         4.50    (#   1601:20  Unique         2.14, 3.88 A)
 &rst
  ixpk= 1601, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   82 LYS  HE-          18 VAL  MGY         5.50    (#   1602:20  Unique         2.22, 5.05 A)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1271,1272,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   18 VAL  HA           18 VAL  MGY         3.50    (#   1604:20  Unique         2.28, 3.17 A)
 &rst
  ixpk= 1604, 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
#
#    0 AMB  20-2:1605    18 VAL  MGY         2.80    (#   1605:20  Single Ambig)
 &rst
  ixpk= 1605, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1234,1235, 294,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   75 LEU  MDY          18 VAL  MGY         2.80    (#   1606:20  Unique         2.21, 5.59 A)
 &rst
  ixpk= 1606, 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
#
#   68 HIS  HN            0 AMB  20-1:1608   5.50    (#   1608:20  Single Ambig)
 &rst
  ixpk= 1608, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   69 VAL  HA            0 AMB  20-1:1610   3.50    (#   1610:20  Single Ambig)
 &rst
  ixpk= 1610, nxpk= 20, iat=1078,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1611     0 AMB  20-1:1611   4.50    (#   1611:20  Double Ambig)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1026, 976,1094,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1612     0 AMB  20-1:1612   2.80    (#   1612:20  Double Ambig)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 700,1080,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   61 LEU  MDY           0 AMB  20-1:1613   3.50    (#   1613:20  Single Ambig)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1614    18 VAL  MGY         4.50    (#   1614:20  Single Ambig)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 334, 335, 336,1208,1209,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   19 GLN  HN           18 VAL  MGY         5.50    (#   1615:20  Unique         2.82, 4.25 A)
 &rst
  ixpk= 1615, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   78 ILE  HN           18 VAL  MGY         5.50    (#   1616:20  Unique         4.27, 6.45 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1618    18 VAL  MGY         4.50    (#   1618:20  Single Ambig)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1=1154,1155,1156,1158,1159,1160,1208,1209,1265,1266,
      1231,1232,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   37 VAL  HN           37 VAL  MGY         5.50    (#   1619:20  Unique         2.81, 4.27 A)
 &rst
  ixpk= 1619, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   39 ASP  HN           37 VAL  MGY         4.50    (#   1620:20  Unique         2.54, 5.27 A)
 &rst
  ixpk= 1620, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   42 ASP  HN           37 VAL  MGY         5.50    (#   1621:20  Unique         3.85, 6.04 A)
 &rst
  ixpk= 1621, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HA           37 VAL  MGY         3.50    (#   1627:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 1627, 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
#
#   38 PRO  HD+          37 VAL  MGY         4.50    (#   1628:20  Unique         3.17, 5.30 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 609, 610,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1629    37 VAL  MGY         3.50    (#   1629:20  Single Ambig)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 674, 675,  33,  34,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   42 ASP  HB-          37 VAL  MGY         4.50    (#   1630:20  Unique         2.34, 4.96 A)
 &rst
  ixpk= 1630, 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  MGY         2.80    (#   1631:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1631, 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
#
#   45 LYS  HN           44 VAL  MGX         3.50    (#   1633:20  Unique         2.60, 4.39 A)
 &rst
  ixpk= 1633, 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  HA           44 VAL  MGX         3.50    (#   1634:20  Unique         2.42, 3.16 A)
 &rst
  ixpk= 1634, 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  20-2:1635    44 VAL  MGX         5.50    (#   1635:20  Single Ambig)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=  33,  34, 674, 675,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1636    44 VAL  MGX         3.50    (#   1636:20  Single Ambig)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  80,  81,  80,  81,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1637    44 VAL  MGX         5.50    (#   1637:20  Single Ambig)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 549, 550, 638, 639, 959, 960,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    3 HIS  HB-          44 VAL  MGX         5.50    (#   1638:20  Unique         2.51, 5.10 A)
 &rst
  ixpk= 1638, 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  20-2:1639    44 VAL  MGX         2.80    (#   1639:20  Single Ambig)
 &rst
  ixpk= 1639, 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
#
#   37 VAL  MGX          44 VAL  MGX         5.50    (#   1640:20  Unique         2.26, 5.19 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    9 VAL  HN            9 VAL  MGY         3.50    (#   1641:20  Unique         1.90, 3.00 A)
 &rst
  ixpk= 1641, 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         2.80    (#   1642:20  Unique         2.39, 3.49 A)
 &rst
  ixpk= 1642, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1643     9 VAL  MGY         4.50    (#   1643:20  Single Ambig)
 &rst
  ixpk= 1643, 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  MGY         2.80    (#   1644:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1644, 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    (#   1645:20  Unique         2.17, 3.69 A)
 &rst
  ixpk= 1645, 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    (#   1647:20  Unique         3.40, 5.03 A)
 &rst
  ixpk= 1647, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1051,1052,1053,
 &end
#
#    0 AMB  20-2:1648    67 THR  MG2         2.80    (#   1648:20  Single Ambig)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1047,1049,
 igr2=1051,1052,1053,
 &end
#
#   69 VAL  HA            0 AMB  20-1:1649   3.50    (#   1649:20  Single Ambig)
 &rst
  ixpk= 1649, nxpk= 20, iat=1078,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1650     0 AMB  20-1:1650   4.50    (#   1650:20  Double Ambig)
 &rst
  ixpk= 1650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 186, 568,
 igr2= 147, 148, 149, 151, 152, 153, 574, 575, 576,
 &end
#
#    0 AMB  20-2:1651     0 AMB  20-1:1651   5.50    (#   1651:20  Double Ambig)
 &rst
  ixpk= 1651, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
 igr1= 582, 368, 369,
 igr2= 574, 575, 576, 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HG-           9 VAL  MGY         5.50    (#   1652:20  Unique         3.78, 6.50 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 193, 194,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   45 LYS  HG+          43 THR  MG2         3.50    (#   1653:20  Unique         2.29, 4.10 A)
 &rst
  ixpk= 1653, 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
#
#   44 VAL  HN           44 VAL  MGY         3.50    (#   1654:20  Unique         2.18, 4.18 A)
 &rst
  ixpk= 1654, nxpk= 20, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1656     0 AMB  20-1:1656   5.50    (#   1656:20  Double Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.51, r4=12.26,
 igr1= 957, 978, 979, 978, 979, 978, 979,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   42 ASP  HB+          44 VAL  MGY         4.50    (#   1657:20  Unique         3.08, 7.07 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 674, 675,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1658    44 VAL  MGY         2.80    (#   1658:20  Single Ambig)
 &rst
  ixpk= 1658, 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
#
#   70 GLU  HN            0 AMB  20-1:1659   4.50    (#   1659:20  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   46 VAL  HN           44 VAL  MGY         5.50    (#   1660:20  Unique         3.33, 6.05 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1661    44 VAL  MGY         4.50    (#   1661:20  Single Ambig)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 901, 541,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1664     0 AMB  20-1:1664   3.50    (#   1664:20  Double Ambig)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 903, 904, 909, 910,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1665     0 AMB  20-1:1665   3.50    (#   1665:20  Double Ambig)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 959, 960, 906, 907,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   35 THR  HB           35 THR  MG2         2.80    (#   1668:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 572,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 574, 575, 576,
 &end
#
#    0 AMB  20-2:1669    44 VAL  MGY         5.50    (#   1669:20  Single Ambig)
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  29, 682,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  HA           44 VAL  MGY         3.50    (#   1672:20  Unique         2.42, 3.16 A)
 &rst
  ixpk= 1672, 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
#
#    3 HIS  HB-          44 VAL  MGY         4.50    (#   1673:20  Unique         2.51, 5.10 A)
 &rst
  ixpk= 1673, 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
#
#   37 VAL  MGX          44 VAL  MGY         3.50    (#   1674:20  Unique         2.26, 5.19 A)
 &rst
  ixpk= 1674, 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
#
#   30 LYS  HN           29 VAL  MGX         4.50    (#   1675:20  Unique         2.30, 4.24 A)
 &rst
  ixpk= 1675, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HN           29 VAL  MGX         4.50    (#   1676:20  Unique         2.31, 3.90 A)
 &rst
  ixpk= 1676, 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
#
#    0 AMB  20-2:1677    29 VAL  MGX         3.50    (#   1677:20  Single Ambig)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 891, 408,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HA           29 VAL  MGX         4.50    (#   1678:20  Unique         2.37, 3.46 A)
 &rst
  ixpk= 1678, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HB           29 VAL  MGX         3.50    (#   1679:20  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1679, 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  20-2:1680    29 VAL  MGX         3.50    (#   1680:20  Single Ambig)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 543, 940, 482, 483,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1681    29 VAL  MGX         3.50    (#   1681:20  Single Ambig)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 485, 486, 962,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   57 ALA  MB           29 VAL  MGX         4.50    (#   1682:20  Unique         2.24, 4.40 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 893, 894, 895,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1683    29 VAL  MGX         2.80    (#   1683:20  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   22 ILE  HN           21 ALA  MB          4.50    (#   1684:20  Unique         2.21, 3.49 A)
 &rst
  ixpk= 1684, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 334, 335, 336,
 &end
#
#    6 ASP  HB+          21 ALA  MB          5.50    (#   1685:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  93,  94,
 igr2= 334, 335, 336,
 &end
#
#    6 ASP  HB-          21 ALA  MB          4.50    (#   1686:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 1686, 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
#
#    0 AMB  20-2:1687    21 ALA  MB          3.50    (#   1687:20  Single Ambig)
 &rst
  ixpk= 1687, 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
#
#    6 ASP  HN           21 ALA  MB          5.50    (#   1688:20  Unique         2.67, 3.96 A)
 &rst
  ixpk= 1688, 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    (#   1689:20  Unique         2.46, 2.97 A)
 &rst
  ixpk= 1689, 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          5.50    (#   1690:20  Unique         3.03, 4.38 A)
 &rst
  ixpk= 1690, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 334, 335, 336,
 &end
#
#    7 VAL  HN           21 ALA  MB          5.50    (#   1691:20  Unique         5.98, 6.90 A)
 &rst
  ixpk= 1691, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 334, 335, 336,
 &end
#
#   21 ALA  HA           21 ALA  MB          3.50    (#   1694:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 1694, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 334, 335, 336,
 &end
#
#    0 AMB  20-2:1696    21 ALA  MB          3.50    (#   1696:20  Single Ambig)
 &rst
  ixpk= 1696, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  50,  51, 277, 278,
 igr2= 334, 335, 336,
 &end
#
#   68 HIS  HB-          43 THR  MG2         5.50    (#   1698:20  Unique         2.29, 4.42 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1063,1064,
 igr2= 688, 689, 690,
 &end
#
#   44 VAL  HN           43 THR  MG2         4.50    (#   1699:20  Unique         2.59, 3.73 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1700    43 THR  MG2         4.50    (#   1700:20  Single Ambig)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  29, 682,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1701    43 THR  MG2         4.50    (#   1701:20  Single Ambig)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  16,1061,
 igr2= 688, 689, 690,
 &end
#
#   43 THR  HB           43 THR  MG2         3.50    (#   1703:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1703, 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         5.50    (#   1704:20  Unique         2.29, 4.42 A)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1063,1064,
 igr2= 688, 689, 690,
 &end
#
#   45 LYS  HE+          43 THR  MG2         3.50    (#   1705:20  Unique         2.39, 4.21 A)
 &rst
  ixpk= 1705, 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  20-2:1706    43 THR  MG2         3.50    (#   1706:20  Single Ambig)
 &rst
  ixpk= 1706, 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  20-2:1707    43 THR  MG2         3.50    (#   1707:20  Single Ambig)
 &rst
  ixpk= 1707, 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    (#   1708:20  Unique         2.29, 4.10 A)
 &rst
  ixpk= 1708, 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    (#   1709:20  Unique         2.29, 4.10 A)
 &rst
  ixpk= 1709, 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
#
#   83 VAL  HN           83 VAL  MGY         4.50    (#   1710:20  Unique         1.88, 3.43 A)
 &rst
  ixpk= 1710, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   84 LYS  HN           83 VAL  MGY         4.50    (#   1711:20  Unique         2.35, 4.53 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HA           83 VAL  MGY         4.50    (#   1712:20  Unique         2.38, 3.50 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=1282,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HA           83 VAL  MGY         5.50    (#   1713:20  Unique         2.29, 4.28 A)
 &rst
  ixpk= 1713, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HG-          83 VAL  MGY         4.50    (#   1714:20  Unique         2.47, 4.49 A)
 &rst
  ixpk= 1714, 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    (#   1715:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1715, 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
#
#   71 ASN  HB-          46 VAL  MGX         5.50    (#   1716:20  Unique         2.62, 6.05 A)
 &rst
  ixpk= 1716, 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
#
#   72 ALA  HN           46 VAL  MGX         4.50    (#   1718:20  Unique         3.27, 5.59 A)
 &rst
  ixpk= 1718, 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  20-2:1719    46 VAL  MGX         3.50    (#   1719:20  Single Ambig)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 734, 899,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HA           46 VAL  MGX         4.50    (#   1720:20  Unique         2.37, 3.49 A)
 &rst
  ixpk= 1720, 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    (#   1721:20  Unique         2.14, 4.40 A)
 &rst
  ixpk= 1721, 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  20-2:1722    46 VAL  MGX         3.50    (#   1722:20  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 858, 859, 901,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   54 SER  HB-          46 VAL  MGX         4.50    (#   1723:20  Unique         2.22, 5.10 A)
 &rst
  ixpk= 1723, 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
#
#    0 AMB  20-2:1724    46 VAL  MGX         3.50    (#   1724:20  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  74, 738,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1725     7 VAL  MGY         5.50    (#   1725:20  Single Ambig)
 &rst
  ixpk= 1725, 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
#
#    7 VAL  HN            7 VAL  MGY         4.50    (#   1726:20  Unique         2.19, 3.45 A)
 &rst
  ixpk= 1726, 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
#
#    7 VAL  HA            7 VAL  MGY         3.50    (#   1727:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 1727, 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  20-2:1728     7 VAL  MGY         4.50    (#   1728:20  Single Ambig)
 &rst
  ixpk= 1728, 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
#
#    7 VAL  HB            7 VAL  MGY         3.50    (#   1729:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1729, 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  20-2:1730     7 VAL  MGY         3.50    (#   1730:20  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 738,  74,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   57 ALA  MB            7 VAL  MGY         2.80    (#   1731:20  Unique         2.22, 3.74 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 893, 894, 895,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   54 SER  HA            7 VAL  MGY         4.50    (#   1732:20  Unique         2.08, 3.90 A)
 &rst
  ixpk= 1732, nxpk= 20, iat= 856,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1733    50 ALA  MB          4.50    (#   1733:20  Single Ambig)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 817, 818, 817, 818,
 igr2= 800, 801, 802,
 &end
#
#   57 ALA  MB           46 VAL  MGX         3.50    (#   1734:20  Unique         2.50, 4.52 A)
 &rst
  ixpk= 1734, 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  MGX         4.50    (#   1735:20  Unique         2.54, 6.14 A)
 &rst
  ixpk= 1735, 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
#
#   37 VAL  HN           36 ALA  MB          3.50    (#   1737:20  Unique         2.51, 3.52 A)
 &rst
  ixpk= 1737, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 586, 587, 588,
 &end
#
#   35 THR  HN           36 ALA  MB          5.50    (#   1738:20  Unique         4.10, 5.03 A)
 &rst
  ixpk= 1738, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 586, 587, 588,
 &end
#
#   36 ALA  HN           36 ALA  MB          3.50    (#   1739:20  Unique         2.44, 2.95 A)
 &rst
  ixpk= 1739, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 586, 587, 588,
 &end
#
#   36 ALA  HA           36 ALA  MB          2.80    (#   1740:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1740, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 586, 587, 588,
 &end
#
#    0 AMB  20-2:1741    36 ALA  MB          5.50    (#   1741:20  Single Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 594, 570, 375,
 igr2= 586, 587, 588,
 &end
#
#   33 ILE  HA           36 ALA  MB          4.50    (#   1742:20  Unique         2.25, 3.44 A)
 &rst
  ixpk= 1742, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 586, 587, 588,
 &end
#
#    0 AMB  20-2:1743    36 ALA  MB          4.50    (#   1743:20  Single Ambig)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 519, 520, 596,
 igr2= 586, 587, 588,
 &end
#
#   22 ILE  QD1          36 ALA  MB          3.50    (#   1744:20  Unique         2.29, 3.98 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 353, 354, 355,
 igr2= 586, 587, 588,
 &end
#
#    0 AMB  20-2:1745    36 ALA  MB          2.80    (#   1745:20  Single Ambig)
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 386, 387, 388,  83,  84,  85,
 igr2= 586, 587, 588,
 &end
#
#   37 VAL  MGX          36 ALA  MB          3.50    (#   1746:20  Unique         2.46, 5.59 A)
 &rst
  ixpk= 1746, 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
#
#    0 AMB  20-2:1747    50 ALA  MB          5.50    (#   1747:20  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 791, 792, 786, 787, 775, 776,
 igr2= 800, 801, 802,
 &end
#
#    1 ALA  HA            1 ALA  MB          3.50    (#   1748:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:1749     0 AMB  20-1:1749   4.50    (#   1749:20  Double Ambig)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  14,1138,
 igr2=   8,   9,  10,1125,1126,1127,
 &end
#
#   78 ILE  HG1+         72 ALA  MB          5.50    (#   1751:20  Unique         2.20, 4.63 A)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1208,1209,
 igr2=1125,1126,1127,
 &end
#
#   72 ALA  HN           72 ALA  MB          3.50    (#   1752:20  Unique         2.37, 2.87 A)
 &rst
  ixpk= 1752, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1125,1126,1127,
 &end
#
#   71 ASN  HD2-         72 ALA  MB          5.50    (#   1755:20  Unique         4.21, 7.13 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1116,1117,
 igr2=1125,1126,1127,
 &end
#
#   72 ALA  HA           72 ALA  MB          2.80    (#   1758:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1758, 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    (#   1759:20  Unique         2.19, 4.23 A)
 &rst
  ixpk= 1759, 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    (#   1760:20  Unique         2.19, 4.23 A)
 &rst
  ixpk= 1760, 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
#
#    0 AMB  20-2:1761    72 ALA  MB          4.50    (#   1761:20  Single Ambig)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 716, 717,1211,1212,1213,
 igr2=1125,1126,1127,
 &end
#
#   84 LYS  HN           83 VAL  MGX         4.50    (#   1762:20  Unique         2.35, 4.53 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HA           83 VAL  MGX         4.50    (#   1764:20  Unique         2.38, 3.50 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=1282,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HA           83 VAL  MGX         3.50    (#   1765:20  Unique         2.29, 4.28 A)
 &rst
  ixpk= 1765, 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
#
#   83 VAL  HB           83 VAL  MGX         3.50    (#   1766:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1766, 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
#
#   83 VAL  HN           83 VAL  MGX         3.50    (#   1767:20  Unique         1.88, 3.43 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=1280,  -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    (#   1768:20  Unique         2.47, 4.49 A)
 &rst
  ixpk= 1768, 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
#
#   37 VAL  HN           37 VAL  MGX         4.50    (#   1769:20  Unique         2.81, 4.27 A)
 &rst
  ixpk= 1769, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HA           37 VAL  MGX         3.50    (#   1770:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 1770, 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
#
#    0 AMB  20-2:1771    37 VAL  MGX         4.50    (#   1771:20  Single Ambig)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 674, 675,  33,  34, 626, 627,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    3 HIS  HB-          37 VAL  MGX         4.50    (#   1772:20  Unique         2.49, 4.14 A)
 &rst
  ixpk= 1772, 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
#
#   37 VAL  HB           37 VAL  MGX         2.80    (#   1773:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1773, 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  20-2:1774    37 VAL  MGX         3.50    (#   1774:20  Single Ambig)
 &rst
  ixpk= 1774, 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
#
#   19 GLN  HN           18 VAL  MGX         4.50    (#   1776:20  Unique         2.82, 4.25 A)
 &rst
  ixpk= 1776, 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
#
#   18 VAL  HA           18 VAL  MGX         4.50    (#   1777:20  Unique         2.28, 3.17 A)
 &rst
  ixpk= 1777, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    4 TRP  HB+          18 VAL  MGX         5.50    (#   1778:20  Unique         2.63, 6.09 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  50,  51,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1779    18 VAL  MGX         2.80    (#   1779:20  Single Ambig)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1234,1235, 294,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1780    18 VAL  MGX         4.50    (#   1780:20  Single Ambig)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1=1154,1155,1156,1158,1159,1160,1208,1209,1265,1266,
      1231,1232,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   33 ILE  HN           33 ILE  QG2         3.50    (#   1781:20  Unique         1.97, 2.99 A)
 &rst
  ixpk= 1781, 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    (#   1782:20  Unique         2.21, 3.16 A)
 &rst
  ixpk= 1782, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 545, 546, 547,
 &end
#
#   30 LYS  HA           33 ILE  QG2         3.50    (#   1785:20  Unique         2.27, 3.80 A)
 &rst
  ixpk= 1785, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HB           33 ILE  QG2         2.80    (#   1786:20  Unique         2.28, 2.65 A)
 &rst
  ixpk= 1786, nxpk= 20, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HG1+         33 ILE  QG2         3.50    (#   1787:20  Unique         2.39, 3.17 A)
 &rst
  ixpk= 1787, 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
#
#   61 LEU  MDX          33 ILE  QG2         3.50    (#   1788:20  Unique         2.19, 4.74 A)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HG1-         33 ILE  QG2         3.50    (#   1789:20  Unique         2.39, 3.17 A)
 &rst
  ixpk= 1789, 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
#
#    0 AMB  20-2:1790     0 AMB  20-1:1790   5.50    (#   1790:20  Double Ambig)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 515, 290,
 igr2= 379, 380, 381,1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:1791     0 AMB  20-1:1791   2.80    (#   1791:20  Double Ambig)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 310, 311, 377,
 igr2=1286,1287,1288,1290,1291,1292, 379, 380, 381,
 &end
#
#    0 AMB  20-2:1792     0 AMB  20-1:1792   4.50    (#   1792:20  Double Ambig)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.79, r4= 8.54,
 igr1= 318, 319, 462,
 igr2=1286,1287,1288,1290,1291,1292, 379, 380, 381,
 &end
#
#   24 ILE  HA           24 ILE  QG2         3.50    (#   1793:20  Unique         2.42, 3.01 A)
 &rst
  ixpk= 1793, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 379, 380, 381,
 &end
#
#   32 ARG  HD-          24 ILE  QG2         4.50    (#   1794:20  Unique         2.25, 3.79 A)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 525, 526,
 igr2= 379, 380, 381,
 &end
#
#   29 VAL  HB           24 ILE  QG2         3.50    (#   1795:20  Unique         3.02, 4.22 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:1796     0 AMB  20-1:1796   3.50    (#   1796:20  Double Ambig)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
 igr1= 519, 520, 310, 311, 543, 522, 523,
 igr2= 379, 380, 381,1286,1287,1288,1290,1291,1292,
 &end
#
#   29 VAL  HA           24 ILE  QG2         2.80    (#   1797:20  Unique         2.12, 2.77 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 379, 380, 381,
 &end
#
#   24 ILE  HG1-         24 ILE  QG2         4.50    (#   1798:20  Unique         2.50, 3.57 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 383, 384,
 igr2= 379, 380, 381,
 &end
#
#   29 VAL  MGY          24 ILE  QG2         2.80    (#   1799:20  Unique         2.30, 5.28 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 468, 469, 470, 472, 473, 474,
 igr2= 379, 380, 381,
 &end
#
#    7 VAL  HN           57 ALA  MB          5.50    (#   1800:20  Unique         5.73, 6.18 A)
 &rst
  ixpk= 1800, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 893, 894, 895,
 &end
#
#   58 LYS  HN           57 ALA  MB          2.80    (#   1801:20  Unique         2.73, 3.54 A)
 &rst
  ixpk= 1801, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1802    57 ALA  MB          2.80    (#   1802:20  Single Ambig)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 891, 408,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1803    57 ALA  MB          2.80    (#   1803:20  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474, 740, 741, 742, 744, 745, 746,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1804    57 ALA  MB          2.80    (#   1804:20  Single Ambig)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
       473, 474, 740, 741, 742, 744, 745, 746,
 igr2= 893, 894, 895,
 &end
#
#   61 LEU  MDY          57 ALA  MB          4.50    (#   1805:20  Unique         3.17, 6.10 A)
 &rst
  ixpk= 1805, 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
#
#    7 VAL  HN            7 VAL  MGX         3.50    (#   1806:20  Unique         2.19, 3.45 A)
 &rst
  ixpk= 1806, 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  20-2:1808     7 VAL  MGX         3.50    (#   1808:20  Single Ambig)
 &rst
  ixpk= 1808, 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         4.50    (#   1809:20  Unique         2.14, 4.99 A)
 &rst
  ixpk= 1809, 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
#
#   48 CYS  HB-           7 VAL  MGX         3.50    (#   1810:20  Unique         2.14, 4.99 A)
 &rst
  ixpk= 1810, 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    (#   1811:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1811, 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         4.50    (#   1812:20  Unique         2.85, 6.40 A)
 &rst
  ixpk= 1812, 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  20-2:1813     7 VAL  MGX         5.50    (#   1813:20  Single Ambig)
 &rst
  ixpk= 1813, 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
#
#   11 GLU  HN            9 VAL  MGX         4.50    (#   1814:20  Unique         2.48, 4.27 A)
 &rst
  ixpk= 1814, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HN            9 VAL  MGX         3.50    (#   1815:20  Unique         1.90, 3.00 A)
 &rst
  ixpk= 1815, 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  HN            9 VAL  MGX         3.50    (#   1816:20  Unique         2.25, 5.14 A)
 &rst
  ixpk= 1816, 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         4.50    (#   1818:20  Unique         2.39, 3.49 A)
 &rst
  ixpk= 1818, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1819     9 VAL  MGX         4.50    (#   1819:20  Single Ambig)
 &rst
  ixpk= 1819, 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    (#   1820:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1820, 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
#
#   12 GLN  HG-           9 VAL  MGX         3.50    (#   1821:20  Unique         3.78, 6.50 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 193, 194,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1822     9 VAL  MGX         3.50    (#   1822:20  Single Ambig)
 &rst
  ixpk= 1822, 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
#
#    7 VAL  HA            7 VAL  MGX         5.50    (#   1823:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 1823, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1824     7 VAL  MGX         3.50    (#   1824:20  Single Ambig)
 &rst
  ixpk= 1824, 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
#
#   35 THR  HN           34 ALA  MB          4.50    (#   1825:20  Unique         2.68, 3.73 A)
 &rst
  ixpk= 1825, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 562, 563, 564,
 &end
#
#   38 PRO  HA           34 ALA  MB          5.50    (#   1826:20  Unique         3.41, 5.15 A)
 &rst
  ixpk= 1826, 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    (#   1827:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1827, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 562, 563, 564,
 &end
#
#   34 ALA  HN           34 ALA  MB          2.80    (#   1828:20  Unique         2.44, 2.87 A)
 &rst
  ixpk= 1828, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 562, 563, 564,
 &end
#
#    0 AMB  20-2:1829    34 ALA  MB          4.50    (#   1829:20  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1011,1012,1013, 507, 508,
 igr2= 562, 563, 564,
 &end
#
#   38 PRO  HB-          34 ALA  MB          5.50    (#   1830:20  Unique         3.25, 6.70 A)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 615, 616,
 igr2= 562, 563, 564,
 &end
#
#   78 ILE  HN           78 ILE  QG2         4.50    (#   1831:20  Unique         4.14, 4.50 A)
 &rst
  ixpk= 1831, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1204,1205,1206,
 &end
#
#   79 ALA  HN           78 ILE  QG2         4.50    (#   1832:20  Unique         2.28, 3.74 A)
 &rst
  ixpk= 1832, nxpk= 20, iat=1217,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1204,1205,1206,
 &end
#
#   80 MET  HN           78 ILE  QG2         3.50    (#   1833:20  Unique         2.12, 3.64 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1204,1205,1206,
 &end
#
#   78 ILE  HA           78 ILE  QG2         3.50    (#   1836:20  Unique         2.36, 3.18 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1204,1205,1206,
 &end
#
#   82 LYS  HE+          78 ILE  QG2         5.50    (#   1837:20  Unique         2.72, 5.71 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1271,1272,
 igr2=1204,1205,1206,
 &end
#
#   80 MET  HG+          78 ILE  QG2         3.50    (#   1838:20  Unique         2.10, 3.77 A)
 &rst
  ixpk= 1838, 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  20-2:1839    78 ILE  QG2         2.80    (#   1839:20  Single Ambig)
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1202,1125,1126,1127,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:1840    78 ILE  QG2         2.80    (#   1840:20  Single Ambig)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1208,1209,1231,1232,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:1841    78 ILE  QG2         3.50    (#   1841:20  Single Ambig)
 &rst
  ixpk= 1841, 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=1204,1205,1206,
 &end
#
#   23 ASN  HN           22 ILE  QG2         4.50    (#   1843:20  Unique         2.87, 4.54 A)
 &rst
  ixpk= 1843, 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         4.50    (#   1844:20  Unique         2.28, 2.99 A)
 &rst
  ixpk= 1844, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 346, 347, 348,
 &end
#
#   30 LYS  HN           60 ILE  QG2         5.50    (#   1845:20  Unique         3.14, 4.34 A)
 &rst
  ixpk= 1845, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 942, 943, 944,
 &end
#
#   61 LEU  HA           60 ILE  QG2         5.50    (#   1846:20  Unique         3.15, 4.26 A)
 &rst
  ixpk= 1846, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 942, 943, 944,
 &end
#
#   30 LYS  HA           60 ILE  QG2         4.50    (#   1847:20  Unique         2.48, 3.60 A)
 &rst
  ixpk= 1847, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 942, 943, 944,
 &end
#
#   34 ALA  HN           64 MET  ME          5.50    (#   1848:20  Unique         3.52, 5.29 A)
 &rst
  ixpk= 1848, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1011,1012,1013,
 &end
#
#   30 LYS  HA           64 MET  ME          4.50    (#   1850:20  Unique         2.20, 4.04 A)
 &rst
  ixpk= 1850, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1011,1012,1013,
 &end
#
#   64 MET  HG+          64 MET  ME          4.50    (#   1851:20  Unique         2.42, 3.68 A)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1007,1008,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1852    64 MET  ME          2.80    (#   1852:20  Single Ambig)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1004,1005,1007,1008,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1853    64 MET  ME          4.50    (#   1853:20  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 562, 563, 564, 485, 486,
 igr2=1011,1012,1013,
 &end
#
#   33 ILE  QG2          64 MET  ME          2.80    (#   1854:20  Unique         2.22, 4.19 A)
 &rst
  ixpk= 1854, 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          5.50    (#   1855:20  Unique         2.21, 6.97 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1011,1012,1013,
 &end
#
#   30 LYS  HB+          64 MET  ME          5.50    (#   1856:20  Unique         2.16, 5.53 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 482, 483,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1857    64 MET  ME          5.50    (#   1857:20  Single Ambig)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 485, 486, 962,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1858    22 ILE  QG2         4.50    (#   1858:20  Single Ambig)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 386, 387, 388,  83,  84,  85,
 igr2= 346, 347, 348,
 &end
#
#   61 LEU  HN           60 ILE  QG2         5.50    (#   1859:20  Unique         3.10, 4.00 A)
 &rst
  ixpk= 1859, nxpk= 20, iat= 955,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 942, 943, 944,
 &end
#
#    0 AMB  20-2:1860    60 ILE  QG2         4.50    (#   1860:20  Single Ambig)
 &rst
  ixpk= 1860, 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  20-2:1861     0 AMB  20-1:1861   2.80    (#   1861:20  Double Ambig)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 482, 483, 940, 344, 946, 947,
 igr2= 942, 943, 944, 346, 347, 348,
 &end
#
#   60 ILE  HN           60 ILE  QG2         5.50    (#   1862:20  Unique         4.35, 4.59 A)
 &rst
  ixpk= 1862, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 942, 943, 944,
 &end
#
#    0 AMB  20-2:1863     0 AMB  20-1:1863   3.50    (#   1863:20  Double Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 938, 325, 326,
 igr2= 942, 943, 944, 346, 347, 348,
 &end
#
#    0 AMB  20-2:1864    60 ILE  QG2         4.50    (#   1864:20  Single Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 491, 492, 491, 492,
 igr2= 942, 943, 944,
 &end
#
#   29 VAL  HB           60 ILE  QG2         5.50    (#   1865:20  Unique         5.01, 5.98 A)
 &rst
  ixpk= 1865, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 942, 943, 944,
 &end
#
#    0 AMB  20-2:1866    60 ILE  QG2         3.50    (#   1866:20  Single Ambig)
 &rst
  ixpk= 1866, 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  HB-          64 MET  ME          5.50    (#   1868:20  Unique         2.16, 5.53 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 482, 483,
 igr2=1011,1012,1013,
 &end
#
#    6 ASP  HN            5 ILE  QG2         4.50    (#   1869:20  Unique         2.60, 3.54 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  76,  77,  78,
 &end
#
#   24 ILE  HN            5 ILE  QG2         4.50    (#   1870:20  Unique         3.12, 3.92 A)
 &rst
  ixpk= 1870, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  76,  77,  78,
 &end
#
#    5 ILE  HA            5 ILE  QG2         4.50    (#   1871:20  Unique         2.38, 3.04 A)
 &rst
  ixpk= 1871, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1872     5 ILE  QG2         3.50    (#   1872:20  Single Ambig)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  74, 344,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1873     5 ILE  QG2         3.50    (#   1873:20  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 377, 350, 351,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1874     5 ILE  QG2         3.50    (#   1874:20  Single Ambig)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  80,  81,  80,  81,
 igr2=  76,  77,  78,
 &end
#
#   79 ALA  HN           79 ALA  MB          3.50    (#   1875:20  Unique         2.44, 2.93 A)
 &rst
  ixpk= 1875, 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    (#   1876:20  Unique         4.12, 4.52 A)
 &rst
  ixpk= 1876, 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          3.50    (#   1877:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=1219,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1221,1222,1223,
 &end
#
#    4 TRP  HE1          80 MET  ME          4.50    (#   1878:20  Unique         2.72, 5.09 A)
 &rst
  ixpk= 1878, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:1879    80 MET  ME          5.50    (#   1879:20  Single Ambig)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1245,1246, 325, 326,
 igr2=1238,1239,1240,
 &end
#
#   18 VAL  MGX          80 MET  ME          3.50    (#   1880:20  Unique         2.23, 5.44 A)
 &rst
  ixpk= 1880, 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=1238,1239,1240,
 &end
#
#   81 PRO  HD-          80 MET  ME          4.50    (#   1881:20  Unique         2.46, 5.65 A)
 &rst
  ixpk= 1881, 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
#
#    0 AMB  20-2:1883    80 MET  ME          4.50    (#   1883:20  Single Ambig)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1234,1235, 313, 314,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:1884    80 MET  ME          5.50    (#   1884:20  Single Ambig)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1248,1249,1248,1249,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:1885     0 AMB  20-1:1885   5.50    (#   1885:20  Double Ambig)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 592,1138,
 igr2= 552, 553, 554,1211,1212,1213,
 &end
#
#   33 ILE  HA           33 ILE  QD1         3.50    (#   1886:20  Unique         2.18, 3.04 A)
 &rst
  ixpk= 1886, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1887    33 ILE  QD1         3.50    (#   1887:20  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 549, 550, 586, 587, 588,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1888    33 ILE  QD1         4.50    (#   1888:20  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  80,  81,  80,  81,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1890     0 AMB  20-1:1890   2.80    (#   1890:20  Double Ambig)
 &rst
  ixpk= 1890, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1208,1209, 543,
 igr2=1211,1212,1213, 552, 553, 554,
 &end
#
#   78 ILE  HN           78 ILE  QD1         4.50    (#   1891:20  Unique         2.09, 3.02 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1211,1212,1213,
 &end
#
#   75 LEU  HA           78 ILE  QD1         3.50    (#   1893:20  Unique         2.19, 3.62 A)
 &rst
  ixpk= 1893, 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         4.50    (#   1894:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 754, 755,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1895     0 AMB  20-1:1895   3.50    (#   1895:20  Double Ambig)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1208,1209, 468, 469, 470, 472, 473, 474,
 igr2=1211,1212,1213, 552, 553, 554,
 &end
#
#   47 TYR  HB+          78 ILE  QD1         4.50    (#   1897:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 754, 755,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1898    78 ILE  QD1         3.50    (#   1898:20  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1125,1126,1127,1202,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1899    78 ILE  QD1         4.50    (#   1899:20  Single Ambig)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1211,1212,1213,
 &end
#
#   60 ILE  HA           60 ILE  QD1         5.50    (#   1900:20  Unique         4.48, 4.64 A)
 &rst
  ixpk= 1900, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 949, 950, 951,
 &end
#
#   56 GLN  HB+          60 ILE  QD1         5.50    (#   1901:20  Unique         3.12, 4.67 A)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 876, 877,
 igr2= 949, 950, 951,
 &end
#
#   60 ILE  HN           60 ILE  QD1         4.50    (#   1902:20  Unique         3.72, 4.50 A)
 &rst
  ixpk= 1902, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 949, 950, 951,
 &end
#
#   57 ALA  HA           60 ILE  QD1         3.50    (#   1903:20  Unique         2.26, 3.42 A)
 &rst
  ixpk= 1903, nxpk= 20, iat= 891,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 949, 950, 951,
 &end
#
#   29 VAL  HB           60 ILE  QD1         4.50    (#   1904:20  Unique         4.92, 5.66 A)
 &rst
  ixpk= 1904, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 949, 950, 951,
 &end
#
#   60 ILE  HG1+         60 ILE  QD1         2.80    (#   1905:20  Unique         2.36, 2.67 A)
 &rst
  ixpk= 1905, 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
#
#    0 AMB  20-2:1906    60 ILE  QD1         2.80    (#   1906:20  Single Ambig)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 946, 947, 940, 482, 483,
 igr2= 949, 950, 951,
 &end
#
#   22 ILE  HG1-         22 ILE  QD1         3.50    (#   1907:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 350, 351,
 igr2= 353, 354, 355,
 &end
#
#    0 AMB  20-2:1908    22 ILE  QD1         3.50    (#   1908:20  Single Ambig)
 &rst
  ixpk= 1908, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 586, 587, 588, 350, 351,
 igr2= 353, 354, 355,
 &end
#
#   37 VAL  MGX          22 ILE  QD1         5.50    (#   1909:20  Unique         3.13, 6.53 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 353, 354, 355,
 &end
#
#   33 ILE  HA           24 ILE  QD1         4.50    (#   1910:20  Unique         2.12, 3.62 A)
 &rst
  ixpk= 1910, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:1911    24 ILE  QD1         4.50    (#   1911:20  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 522, 523, 519, 520, 344,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:1912    24 ILE  QD1         3.50    (#   1912:20  Single Ambig)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 377, 350, 351,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:1913    24 ILE  QD1         3.50    (#   1913:20  Single Ambig)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 586, 587, 588, 350, 351,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HG1-         24 ILE  QD1         3.50    (#   1914:20  Unique         2.31, 2.65 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 383, 384,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HG1+         24 ILE  QD1         2.80    (#   1915:20  Unique         2.31, 2.65 A)
 &rst
  ixpk= 1915, 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
#
#    0 AMB  20-2:1917     5 ILE  QD1         4.50    (#   1917:20  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 344,  74,
 igr2=  83,  84,  85,
 &end
#
#    0 AMB  20-2:1918     5 ILE  QD1         3.50    (#   1918:20  Single Ambig)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  80,  81,  80,  81,
 igr2=  83,  84,  85,
 &end
#
#    0 AMB  20-2:1919     5 ILE  QD1         4.50    (#   1919:20  Single Ambig)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 350, 351, 586, 587, 588,
 igr2=  83,  84,  85,
 &end
#
#   44 VAL  MGY           5 ILE  QD1         4.50    (#   1920:20  Unique         2.34, 5.26 A)
 &rst
  ixpk= 1920, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=  83,  84,  85,
 &end
#
#   37 VAL  MGX           5 ILE  QD1         4.50    (#   1921:20  Unique         2.41, 5.20 A)
 &rst
  ixpk= 1921, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2=  83,  84,  85,
 &end
#
#   67 THR  HN           67 THR  HB          5.50    (#   1922:20  Unique         2.84, 3.48 A)
 &rst
  ixpk= 1922, nxpk= 20, iat=1045,1049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 GLN  HN           10 PRO  HA          5.50    (#   1923:20  Unique         3.85, 4.52 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 224, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 GLU  HN           10 PRO  HA          5.50    (#   1924:20  Unique         3.43, 3.50 A)
 &rst
  ixpk= 1924, nxpk= 20, iat= 171, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LEU  HN           60 ILE  HA          5.50    (#   1925:20  Unique         3.58, 3.61 A)
 &rst
  ixpk= 1925, nxpk= 20, iat= 955, 938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ALA  MB           38 PRO  HA          5.50    (#   1926:20  Unique         3.41, 5.15 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 562, 563, 564,
 &end
#
#   38 PRO  HB+          38 PRO  HA          3.50    (#   1927:20  Unique         2.27, 2.55 A)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 615, 616,
 &end
#
#   38 PRO  HD-          38 PRO  HA          5.50    (#   1928:20  Unique         3.44, 3.79 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   38 PRO  HD+          38 PRO  HA          5.50    (#   1929:20  Unique         3.44, 3.79 A)
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   39 ASP  HN           38 PRO  HA          5.50    (#   1930:20  Unique         3.35, 3.55 A)
 &rst
  ixpk= 1930, nxpk= 20, iat= 622, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 THR  MG2          35 THR  HA          4.50    (#   1931:20  Unique         2.37, 2.92 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 574, 575, 576,
 &end
#
#   37 VAL  HN           35 THR  HA          5.50    (#   1932:20  Unique         4.23, 4.52 A)
 &rst
  ixpk= 1932, nxpk= 20, iat= 592, 570, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 HIS  HB+          43 THR  HA          5.50    (#   1933:20  Unique         2.16, 2.62 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#   43 THR  MG2          43 THR  HA          5.50    (#   1934:20  Unique         2.42, 3.09 A)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 688, 689, 690,
 &end
#
#   43 THR  HN           43 THR  HA          5.50    (#   1936:20  Unique         2.79, 2.86 A)
 &rst
  ixpk= 1936, nxpk= 20, iat= 682, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 VAL  HN           43 THR  HA          4.50    (#   1937:20  Unique         2.15, 2.24 A)
 &rst
  ixpk= 1937, nxpk= 20, iat= 696, 684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1938    18 VAL  HA          5.50    (#   1938:20  Single Ambig)
 &rst
  ixpk= 1938, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 310, 311, 334, 335, 336,1208,1209,
 &end
#
#    0 AMB  20-2:1939    18 VAL  HA          5.50    (#   1939:20  Single Ambig)
 &rst
  ixpk= 1939, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1154,1155,1156,1158,1159,1160,1286,1287,1288,1290,
      1291,1292,
 &end
#
#   81 PRO  HD-          81 PRO  HA          5.50    (#   1940:20  Unique         3.40, 3.77 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1245,1246,
 &end
#
#   81 PRO  HD+          81 PRO  HA          5.50    (#   1941:20  Unique         3.40, 3.77 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1245,1246,
 &end
#
#    0 AMB  20-2:1942    81 PRO  HA          5.50    (#   1942:20  Single Ambig)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1265,1266,1231,1232,
 &end
#
#    0 AMB  20-2:1944    67 THR  HA          5.50    (#   1944:20  Single Ambig)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,1047, 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
#
#   67 THR  MG2          67 THR  HA          3.50    (#   1945:20  Unique         2.37, 3.04 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,1047, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1051,1052,1053,
 &end
#
#   70 GLU  HB-          69 VAL  HA          5.50    (#   1946:20  Unique         4.19, 4.66 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1096,1097,
 &end
#
#   44 VAL  MGX          69 VAL  HA          5.50    (#   1947:20  Unique         3.41, 4.74 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   61 LEU  MDY          69 VAL  HA          5.50    (#   1948:20  Unique         4.34, 6.87 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#   66 TYR  HB-          62 SER  HA          5.50    (#   1949:20  Unique         2.14, 4.21 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1028,1029,
 &end
#
#   32 ARG  HN           33 ILE  HA          5.50    (#   1951:20  Unique         4.59, 5.12 A)
 &rst
  ixpk= 1951, nxpk= 20, iat= 515, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1953     0 AMB  20-1:1953   5.50    (#   1953:20  Double Ambig)
 &rst
  ixpk= 1953, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1219, 517,
 igr2=1200, 541,
 &end
#
#   46 VAL  HB           54 SER  HB-         5.50    (#   1954:20  Unique         2.33, 3.68 A)
 &rst
  ixpk= 1954, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#   55 GLY  HN           54 SER  HB-         5.50    (#   1956:20  Unique         2.31, 3.56 A)
 &rst
  ixpk= 1956, nxpk= 20, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#    0 AMB  20-2:1957    54 SER  HB-         5.50    (#   1957:20  Single Ambig)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 750, 734,
 igr2= 858, 859,
 &end
#
#   46 VAL  MGX          54 SER  HB+         4.50    (#   1959:20  Unique         2.22, 5.10 A)
 &rst
  ixpk= 1959, 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
#
#   12 GLN  HE2-         13 TYR  HA          5.50    (#   1962:20  Unique         2.88, 4.52 A)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 198, 199,
 &end
#
#   15 GLN  HN           13 TYR  HA          5.50    (#   1963:20  Unique         3.39, 4.11 A)
 &rst
  ixpk= 1963, nxpk= 20, iat= 241, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 THR  MG2          44 VAL  HA          5.50    (#   1965:20  Unique         3.87, 5.22 A)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 688, 689, 690,
 &end
#
#   11 GLU  HN            9 VAL  HA          5.50    (#   1966:20  Unique         3.92, 4.03 A)
 &rst
  ixpk= 1966, nxpk= 20, iat= 171, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HA            7 VAL  HA          5.50    (#   1967:20  Unique         4.33, 4.56 A)
 &rst
  ixpk= 1967, nxpk= 20, iat= 408, 103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1968     7 VAL  HA          5.50    (#   1968:20  Single Ambig)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 410, 411, 893, 894, 895,
 &end
#
#   23 ASN  HD2-          7 VAL  HA          5.50    (#   1969:20  Unique         3.93, 4.66 A)
 &rst
  ixpk= 1969, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 368, 369,
 &end
#
#   32 ARG  HN           30 LYS  HA          5.50    (#   1970:20  Unique         3.76, 4.96 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 515, 480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1971    83 VAL  HA          5.50    (#   1971:20  Single Ambig)
 &rst
  ixpk= 1971, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1306,1307,1306,1307,1300,1301,
 &end
#
#   21 ALA  HA           22 ILE  HA          5.50    (#   1974:20  Unique         4.37, 4.48 A)
 &rst
  ixpk= 1974, nxpk= 20, iat= 332, 342, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 ASN  HB-          22 ILE  HA          5.50    (#   1975:20  Unique         4.45, 4.62 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 363, 364,
 &end
#
#    0 AMB  20-2:1976    22 ILE  HA          5.50    (#   1976:20  Single Ambig)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  83,  84,  85, 386, 387, 388,  76,  77,  78,
 &end
#
#   51 GLY  HN           52 ARG  HA          5.50    (#   1977:20  Unique         4.74, 5.37 A)
 &rst
  ixpk= 1977, nxpk= 20, iat= 806, 815, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLN  HG+          15 GLN  HA          5.50    (#   1978:20  Unique         2.58, 3.75 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 248, 249,
 &end
#
#   78 ILE  HN           76 LYS  HA          5.50    (#   1979:20  Unique         4.08, 4.37 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=1198,1166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HA           26 LEU  HA          5.50    (#   1980:20  Unique         4.33, 4.56 A)
 &rst
  ixpk= 1980, nxpk= 20, iat= 103, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 VAL  MGX          12 GLN  HA          5.50    (#   1981:20  Unique         4.59, 7.56 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   18 VAL  MGX          19 GLN  HA          5.50    (#   1982:20  Unique         4.51, 6.12 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1984    46 VAL  HA          5.50    (#   1984:20  Single Ambig)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 8.43, r4= 9.18,
 igr1= 716, 717, 964, 965, 966, 968, 969, 970,1211,1212,
      1213, 719, 720,
 &end
#
#    0 AMB  20-2:1985    46 VAL  HA          5.50    (#   1985:20  Single Ambig)
 &rst
  ixpk= 1985, 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  20-2:1986    46 VAL  HA          5.50    (#   1986:20  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1125,1126,1127, 377,
 &end
#
#    0 AMB  20-2:1987    46 VAL  HA          5.50    (#   1987:20  Single Ambig)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  91, 856,
 &end
#
#    0 AMB  20-2:1988    31 GLU  HA          5.50    (#   1988:20  Single Ambig)
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 562, 563, 564, 485, 486,
 &end
#
#   30 LYS  HN           31 GLU  HA          5.50    (#   1989:20  Unique         5.23, 5.36 A)
 &rst
  ixpk= 1989, nxpk= 20, iat= 478, 502, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   85 GLY  HN           14 GLN  HA          5.50    (#   1991:20  Unique         2.48, 3.42 A)
 &rst
  ixpk= 1991, nxpk= 20, iat=1318, 226, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 GLN  HE2+         14 GLN  HA          5.50    (#   1992:20  Unique         2.23, 3.64 A)
 &rst
  ixpk= 1992, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 236, 237,
 &end
#
#   33 ILE  QG2          32 ARG  HA          5.50    (#   1994:20  Unique         5.04, 6.10 A)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 545, 546, 547,
 &end
#
#   35 THR  MG2          32 ARG  HA          5.50    (#   1995:20  Unique         2.91, 5.46 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 574, 575, 576,
 &end
#
#    0 AMB  20-2:1997     4 TRP  HA          5.50    (#   1997:20  Single Ambig)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 734, 750,
 &end
#
#    0 AMB  20-2:1998    47 TYR  HA          5.50    (#   1998:20  Single Ambig)
 &rst
  ixpk= 1998, 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  20-2:1999    47 TYR  HA          5.50    (#   1999:20  Single Ambig)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 740, 741, 742, 744, 745, 746,1154,1155,1156,1158,
      1159,1160,1208,1209,
 &end
#
#    0 AMB  20-2:2000    47 TYR  HA          5.50    (#   2000:20  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 738,1208,1209,
 &end
#
#   72 ALA  HN           47 TYR  HA          5.50    (#   2003:20  Unique         2.83, 3.90 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=1121, 752, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 LEU  HN           49 ASN  HA          4.50    (#   2004:20  Unique         2.75, 3.40 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=1145, 784, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2005    49 ASN  HA          5.50    (#   2005:20  Single Ambig)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1164, 806,
 &end
#
#   85 GLY  HN           16 GLU  HA          5.50    (#   2006:20  Unique         2.84, 3.86 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=1318, 260, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2007    16 GLU  HA          5.50    (#   2007:20  Single Ambig)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:2008    16 GLU  HA          5.50    (#   2008:20  Single Ambig)
 &rst
  ixpk= 2008, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1300,1301, 265, 266,
 &end
#
#    7 VAL  MGX           8 ARG  HA          5.50    (#   2009:20  Unique         4.02, 6.08 A)
 &rst
  ixpk= 2009, 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
#
#    8 ARG  HD+           8 ARG  HA          5.50    (#   2010:20  Unique         4.17, 4.43 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 127, 128,
 &end
#
#   83 VAL  MGX          84 LYS  HA          5.50    (#   2012:20  Unique         4.36, 6.17 A)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   24 ILE  QG2          28 GLU  HA          5.50    (#   2013:20  Unique         5.21, 6.16 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 379, 380, 381,
 &end
#
#    0 AMB  20-2:2014     0 AMB  20-1:2014   5.50    (#   2014:20  Double Ambig)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1198, 318, 319,
 igr2=1188,1260,
 &end
#
#   68 HIS  HB+          68 HIS  HA          4.50    (#   2015:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#   33 ILE  QD1          34 ALA  HA          5.50    (#   2018:20  Unique         5.29, 6.34 A)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 552, 553, 554,
 &end
#
#    0 AMB  20-2:2019    34 ALA  HA          5.50    (#   2019:20  Single Ambig)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 549, 550, 598, 599, 600, 602, 603, 604,
 &end
#
#   38 PRO  HB+          34 ALA  HA          5.50    (#   2020:20  Unique         3.16, 5.38 A)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 615, 616,
 &end
#
#   38 PRO  HA           34 ALA  HA          4.50    (#   2021:20  Unique         2.51, 3.29 A)
 &rst
  ixpk= 2021, nxpk= 20, iat= 618, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 ALA  HN           36 ALA  HA          4.50    (#   2024:20  Unique         2.87, 2.91 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 582, 584, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2025    70 GLU  HA          5.50    (#   2025:20  Single Ambig)
 &rst
  ixpk= 2025, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 912, 913, 912, 913,
 &end
#
#   40 LYS  HA           39 ASP  HA          5.50    (#   2026:20  Unique         4.29, 4.46 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 636, 624, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2027    72 ALA  HA          5.50    (#   2027:20  Single Ambig)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 722, 723, 719, 720,
 &end
#
#    0 AMB  20-2:2028    72 ALA  HA          5.50    (#   2028:20  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:2031    21 ALA  HA          5.50    (#   2031:20  Single Ambig)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1, 332, 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
#
#    5 ILE  QD1          21 ALA  HA          5.50    (#   2032:20  Unique         4.46, 6.13 A)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  83,  84,  85,
 &end
#
#    0 AMB  20-2:2033    21 ALA  HA          5.50    (#   2033:20  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 346, 347, 348, 353, 354, 355,
 &end
#
#   22 ILE  HG1+         21 ALA  HA          5.50    (#   2034:20  Unique         3.08, 4.22 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 350, 351,
 &end
#
#    0 AMB  20-2:2035    21 ALA  HA          5.50    (#   2035:20  Single Ambig)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 350, 351, 294,
 &end
#
#    6 ASP  HN           21 ALA  HA          5.50    (#   2037:20  Unique         3.92, 4.31 A)
 &rst
  ixpk= 2037, nxpk= 20, iat=  89, 332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2038     6 ASP  HA          5.50    (#   2038:20  Single Ambig)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 334, 335, 336,  74, 124, 125, 124, 125,
 &end
#
#    8 ARG  HN            6 ASP  HA          5.50    (#   2039:20  Unique         3.59, 4.05 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 117,  91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 PRO  HD-           0 AMB  20-1:2040   5.50    (#   2040:20  Single Ambig)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 393, 394,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  HN            0 AMB  20-1:2041   5.50    (#   2041:20  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 158, 159, 158, 159,
 &end
#
#    0 AMB  20-2:2042    79 ALA  HA          5.50    (#   2042:20  Single Ambig)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1231,1232,1265,1266,1208,1209,
 &end
#
#   80 MET  HG+          79 ALA  HA          5.50    (#   2043:20  Unique         4.61, 5.41 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1234,1235,
 &end
#
#   82 LYS  HE+          79 ALA  HA          5.50    (#   2044:20  Unique         3.38, 5.86 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   81 PRO  HA           81 PRO  HD-         5.50    (#   2045:20  Unique         3.40, 3.77 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=1254,  -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    (#   2046:20  Unique         4.62, 4.95 A)
 &rst
  ixpk= 2046, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#   19 GLN  HN           81 PRO  HD-         5.50    (#   2047:20  Unique         3.99, 5.20 A)
 &rst
  ixpk= 2047, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:2048     0 AMB  20-1:2048   5.50    (#   2048:20  Double Ambig)
 &rst
  ixpk= 2048, 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+         5.50    (#   2049:20  Unique         3.40, 3.77 A)
 &rst
  ixpk= 2049, nxpk= 20, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#   24 ILE  HG1+         25 PRO  HD+         5.50    (#   2050:20  Unique         4.64, 5.23 A)
 &rst
  ixpk= 2050, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 383, 384,
 igr2= 393, 394,
 &end
#
#   23 ASN  HD2-         25 PRO  HD+         5.50    (#   2051:20  Unique         3.27, 4.76 A)
 &rst
  ixpk= 2051, 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    (#   2052:20  Unique         3.27, 4.76 A)
 &rst
  ixpk= 2052, 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  20-2:2053     0 AMB  20-1:2053   5.50    (#   2053:20  Double Ambig)
 &rst
  ixpk= 2053, 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
#
#    0 AMB  20-2:2054    38 PRO  HD-         5.50    (#   2054:20  Single Ambig)
 &rst
  ixpk= 2054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 574, 575, 576, 586, 587, 588, 549, 550,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:2055     0 AMB  20-1:2055   5.50    (#   2055:20  Double Ambig)
 &rst
  ixpk= 2055, 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
#
#   46 VAL  MGX          55 GLY  HA-         5.50    (#   2056:20  Unique         4.23, 6.96 A)
 &rst
  ixpk= 2056, 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  HG+          55 GLY  HA-         5.50    (#   2057:20  Unique         4.04, 5.58 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 906, 907,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:2058    55 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= 909, 910, 820, 821,
 igr2= 867, 868,
 &end
#
#   71 ASN  HB+          55 GLY  HA-         5.50    (#   2059:20  Unique         2.29, 4.12 A)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2= 867, 868,
 &end
#
#   46 VAL  MGX          55 GLY  HA+         5.50    (#   2061:20  Unique         4.23, 6.96 A)
 &rst
  ixpk= 2061, 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
#
#    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= 8.73, r4= 9.48,
 igr1= 909, 910, 820, 821,
 igr2= 867, 868, 867, 868,
 &end
#
#   71 ASN  HB+          55 GLY  HA+         5.50    (#   2063:20  Unique         2.29, 4.12 A)
 &rst
  ixpk= 2063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2= 867, 868,
 &end
#
#   52 ARG  HA           55 GLY  HA+         5.50    (#   2064:20  Unique         3.20, 4.31 A)
 &rst
  ixpk= 2064, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:2065     0 AMB  20-1:2065   5.50    (#   2065:20  Double Ambig)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1303,1304,1303,1304,
 igr2=1320,1321,1320,1321,
 &end
#
#    0 AMB  20-2:2066     0 AMB  20-1:2066   5.50    (#   2066:20  Double Ambig)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1300,1301,1306,1307,1306,1307,
 igr2=1320,1321,1320,1321,1320,1321,
 &end
#
#   84 LYS  HB+          85 GLY  HA+         5.50    (#   2067:20  Unique         4.27, 5.19 A)
 &rst
  ixpk= 2067, 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  20-2:2068     0 AMB  20-1:2068   5.50    (#   2068:20  Double Ambig)
 &rst
  ixpk= 2068, 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
#
#   14 GLN  HE2+         85 GLY  HA+         5.50    (#   2069:20  Unique         3.21, 5.42 A)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 236, 237,
 igr2=1320,1321,
 &end
#
#   83 VAL  MGY          85 GLY  HA-         5.50    (#   2070:20  Unique         4.79, 7.96 A)
 &rst
  ixpk= 2070, 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=1320,1321,
 &end
#
#    0 AMB  20-2:2071    85 GLY  HA-         5.50    (#   2071:20  Single Ambig)
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1303,1304,1303,1304,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:2072    85 GLY  HA-         5.50    (#   2072:20  Single Ambig)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1300,1301,1306,1307,1306,1307,
 igr2=1320,1321,
 &end
#
#   84 LYS  HB+          85 GLY  HA-         5.50    (#   2073:20  Unique         4.27, 5.19 A)
 &rst
  ixpk= 2073, 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  20-2:2074    85 GLY  HA-         5.50    (#   2074:20  Single Ambig)
 &rst
  ixpk= 2074, 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
#
#   14 GLN  HE2-         85 GLY  HA-         5.50    (#   2075:20  Unique         3.21, 5.42 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 236, 237,
 igr2=1320,1321,
 &end
#
#   14 GLN  HE2+         85 GLY  HA-         5.50    (#   2076:20  Unique         3.21, 5.42 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 236, 237,
 igr2=1320,1321,
 &end
#
#   72 ALA  HN           73 GLY  HA+         5.50    (#   2077:20  Unique         4.54, 5.15 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1133,1134,
 &end
#
#   72 ALA  HN           73 GLY  HA-         5.50    (#   2078:20  Unique         4.54, 5.15 A)
 &rst
  ixpk= 2078, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1133,1134,
 &end
#
#    0 AMB  20-2:2079     0 AMB  20-1:2079   5.50    (#   2079:20  Double Ambig)
 &rst
  ixpk= 2079, 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= 808, 809, 808, 809, 808, 809,
 &end
#
#    0 AMB  20-2:2081    51 GLY  HA-         5.50    (#   2081:20  Single Ambig)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 800, 801, 802,1149,1150,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:2082    20 GLY  HA-         5.50    (#   2082:20  Single Ambig)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 310, 311, 334, 335, 336,
 igr2= 325, 326,
 &end
#
#   21 ALA  HA           20 GLY  HA-         5.50    (#   2083:20  Unique         4.45, 4.67 A)
 &rst
  ixpk= 2083, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 325, 326,
 &end
#
#    0 AMB  20-2:2084     0 AMB  20-1:2084   5.50    (#   2084:20  Double Ambig)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1168,1169, 334, 335, 336,1208,1209,
 igr2=1140,1141, 325, 326,1140,1141,
 &end
#
#   19 GLN  HE2+         20 GLY  HA+         5.50    (#   2085:20  Unique         2.79, 3.91 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 318, 319,
 igr2= 325, 326,
 &end
#
#    0 AMB  20-2:2088    65 GLY  HA-         5.50    (#   2088:20  Single Ambig)
 &rst
  ixpk= 2088, 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  20-2:2089    74 GLY  HA-         5.50    (#   2089:20  Single Ambig)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 806,1164,
 igr2=1140,1141,
 &end
#
#   78 ILE  QD1          74 GLY  HA+         5.50    (#   2090:20  Unique         4.08, 5.55 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1211,1212,1213,
 igr2=1140,1141,
 &end
#
#   75 LEU  HB+          74 GLY  HA+         5.50    (#   2091:20  Unique         4.25, 4.90 A)
 &rst
  ixpk= 2091, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1149,1150,
 igr2=1140,1141,
 &end
#
#   76 LYS  HN           74 GLY  HA+         4.50    (#   2092:20  Unique         3.20, 3.96 A)
 &rst
  ixpk= 2092, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:2093    74 GLY  HA-         5.50    (#   2093:20  Single Ambig)
 &rst
  ixpk= 2093, 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
#
#   49 ASN  HA            0 AMB  20-1:2094   5.50    (#   2094:20  Single Ambig)
 &rst
  ixpk= 2094, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 127, 128,1140,1141,
 &end
#
#   49 ASN  HA            8 ARG  HD-         5.50    (#   2095:20  Unique         3.22, 4.72 A)
 &rst
  ixpk= 2095, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#    8 ARG  HA            8 ARG  HD-         5.50    (#   2096:20  Unique         4.17, 4.43 A)
 &rst
  ixpk= 2096, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#   32 ARG  HN           32 ARG  HD-         5.50    (#   2097:20  Unique         3.68, 4.44 A)
 &rst
  ixpk= 2097, 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    (#   2101:20  Unique         3.68, 4.44 A)
 &rst
  ixpk= 2101, 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    (#   2102:20  Unique         3.03, 4.84 A)
 &rst
  ixpk= 2102, 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    (#   2103:20  Unique         4.52, 5.89 A)
 &rst
  ixpk= 2103, 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
#
#   23 ASN  HB+           6 ASP  HB+         5.50    (#   2105:20  Unique         3.03, 4.84 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2=  93,  94,
 &end
#
#   23 ASN  HB-           6 ASP  HB-         5.50    (#   2106:20  Unique         3.03, 4.84 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:2107     0 AMB  20-1:2107   5.50    (#   2107:20  Double Ambig)
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1=1154,1155,1156,1158,1159,1160,1208,1209,
 igr2= 754, 755, 754, 755,
 &end
#
#   72 ALA  HN           47 TYR  HB-         5.50    (#   2108:20  Unique         3.28, 4.55 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 754, 755,
 &end
#
#    7 VAL  MGX          26 LEU  HB+         5.50    (#   2109:20  Unique         3.10, 5.87 A)
 &rst
  ixpk= 2109, 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  20-2:2110     0 AMB  20-1:2110   5.50    (#   2110:20  Double Ambig)
 &rst
  ixpk= 2110, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 402, 856,
 igr2= 410, 411, 410, 411,
 &end
#
#    0 AMB  20-2:2111    26 LEU  HB-         5.50    (#   2111:20  Single Ambig)
 &rst
  ixpk= 2111, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 402, 856,
 igr2= 410, 411,
 &end
#
#   26 LEU  HA           26 LEU  HB-         4.50    (#   2112:20  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2112, nxpk= 20, iat= 408,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 410, 411,
 &end
#
#   75 LEU  HA           82 LYS  HE-         5.50    (#   2113:20  Unique         4.12, 4.99 A)
 &rst
  ixpk= 2113, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1271,1272,
 &end
#
#   80 MET  HN           82 LYS  HE-         5.50    (#   2114:20  Unique         3.48, 4.79 A)
 &rst
  ixpk= 2114, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1271,1272,
 &end
#
#   40 LYS  HN            0 AMB  20-1:2115   5.50    (#   2115:20  Single Ambig)
 &rst
  ixpk= 2115, 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    (#   2116:20  Unique         3.45, 5.26 A)
 &rst
  ixpk= 2116, 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    (#   2117:20  Unique         3.45, 5.26 A)
 &rst
  ixpk= 2117, 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  20-2:2118    45 LYS  HE-         5.50    (#   2118:20  Single Ambig)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  18,  19,  18,  19,
 igr2= 725, 726,
 &end
#
#   78 ILE  QD1          75 LEU  HB+         5.50    (#   2120:20  Unique         4.22, 6.15 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1211,1212,1213,
 igr2=1149,1150,
 &end
#
#   74 GLY  HA+          75 LEU  HB+         5.50    (#   2121:20  Unique         4.25, 4.90 A)
 &rst
  ixpk= 2121, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1140,1141,
 igr2=1149,1150,
 &end
#
#   49 ASN  HA           75 LEU  HB+         5.50    (#   2122:20  Unique         2.27, 3.38 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1149,1150,
 &end
#
#   78 ILE  QD1          75 LEU  HB-         5.50    (#   2124:20  Unique         4.22, 6.15 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1211,1212,1213,
 igr2=1149,1150,
 &end
#
#   74 GLY  HA+          75 LEU  HB-         5.50    (#   2125:20  Unique         4.25, 4.90 A)
 &rst
  ixpk= 2125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1140,1141,
 igr2=1149,1150,
 &end
#
#   49 ASN  HA           75 LEU  HB-         5.50    (#   2126:20  Unique         2.27, 3.38 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1149,1150,
 &end
#
#   78 ILE  HN           77 ASP  HB+         5.50    (#   2131:20  Unique         2.75, 3.57 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1190,1191,
 &end
#
#    0 AMB  20-2:2132     0 AMB  20-1:2132   5.50    (#   2132:20  Double Ambig)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1026, 976,
 igr2= 959, 960, 959, 960,
 &end
#
#    0 AMB  20-2:2133    61 LEU  HB-         5.50    (#   2133:20  Single Ambig)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1026, 976,
 igr2= 959, 960,
 &end
#
#   66 TYR  HN           61 LEU  HB-         5.50    (#   2134:20  Unique         3.64, 4.66 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 959, 960,
 &end
#
#   37 VAL  MGX          42 ASP  HB+         5.50    (#   2136:20  Unique         2.34, 4.96 A)
 &rst
  ixpk= 2136, 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= 674, 675,
 &end
#
#   44 VAL  MGY          42 ASP  HB+         5.50    (#   2137:20  Unique         3.08, 7.07 A)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 674, 675,
 &end
#
#    0 AMB  20-2:2139     0 AMB  20-1:2139   4.50    (#   2139:20  Double Ambig)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 682,  29,
 igr2= 674, 675, 674, 675,
 &end
#
#   37 VAL  MGX          42 ASP  HB-         5.50    (#   2140:20  Unique         2.34, 4.96 A)
 &rst
  ixpk= 2140, 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= 674, 675,
 &end
#
#   37 VAL  MGY          39 ASP  HB-         5.50    (#   2141:20  Unique         2.57, 6.91 A)
 &rst
  ixpk= 2141, 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= 626, 627,
 &end
#
#   42 ASP  HN           39 ASP  HB-         5.50    (#   2142:20  Unique         3.43, 4.47 A)
 &rst
  ixpk= 2142, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 626, 627,
 &end
#
#   41 ASN  HN           39 ASP  HB-         5.50    (#   2143:20  Unique         3.22, 4.45 A)
 &rst
  ixpk= 2143, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 626, 627,
 &end
#
#    0 AMB  20-2:2144     0 AMB  20-1:2144   5.50    (#   2144:20  Double Ambig)
 &rst
  ixpk= 2144, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 672, 624,1026,
 igr2= 660, 661, 660, 661, 660, 661,
 &end
#
#    0 AMB  20-2:2145    41 ASN  HB-         5.50    (#   2145:20  Single Ambig)
 &rst
  ixpk= 2145, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 672, 624,1026,
 igr2= 660, 661,
 &end
#
#   49 ASN  HN           49 ASN  HB+         5.50    (#   2147:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2147, nxpk= 20, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 786, 787,
 &end
#
#   49 ASN  HN           49 ASN  HB-         5.50    (#   2148:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2148, nxpk= 20, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 786, 787,
 &end
#
#   78 ILE  QG2          78 ILE  HB          2.80    (#   2149:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1204,1205,1206,
 &end
#
#   80 MET  HN           78 ILE  HB          5.50    (#   2150:20  Unique         3.33, 3.81 A)
 &rst
  ixpk= 2150, nxpk= 20, iat=1227,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 ALA  HN           78 ILE  HB          5.50    (#   2151:20  Unique         3.54, 4.25 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=1217,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ILE  HA           23 ASN  HB+         5.50    (#   2152:20  Unique         4.45, 4.62 A)
 &rst
  ixpk= 2152, nxpk= 20, iat= 342,  -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    (#   2154:20  Unique         2.42, 3.50 A)
 &rst
  ixpk= 2154, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:2155     0 AMB  20-1:2155   5.50    (#   2155:20  Double Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 373, 186,
 igr2= 363, 364, 363, 364,
 &end
#
#   22 ILE  HA           23 ASN  HB-         5.50    (#   2157:20  Unique         4.45, 4.62 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 363, 364,
 &end
#
#   33 ILE  HG1+         33 ILE  HB          2.80    (#   2158:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 549, 550,
 &end
#
#   23 ASN  HB-          13 TYR  HB+         5.50    (#   2159:20  Unique         2.53, 4.63 A)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 207, 208,
 &end
#
#   23 ASN  HB+          13 TYR  HB+         5.50    (#   2160:20  Unique         2.53, 4.63 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:2161     0 AMB  20-1:2161   5.50    (#   2161:20  Double Ambig)
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 226, 158, 159, 158, 159,
 igr2= 207, 208, 207, 208, 207, 208,
 &end
#
#   23 ASN  HD2-         13 TYR  HB+         5.50    (#   2162:20  Unique         2.88, 4.87 A)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 207, 208,
 &end
#
#   23 ASN  HD2-         13 TYR  HB-         5.50    (#   2163:20  Unique         2.88, 4.87 A)
 &rst
  ixpk= 2163, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:2164    13 TYR  HB-         5.50    (#   2164:20  Single Ambig)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 361, 275,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:2165    13 TYR  HB-         5.50    (#   2165:20  Single Ambig)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 226, 158, 159, 158, 159,
 igr2= 207, 208,
 &end
#
#   23 ASN  HB+          13 TYR  HB-         5.50    (#   2166:20  Unique         2.53, 4.63 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:2167    13 TYR  HB-         5.50    (#   2167:20  Single Ambig)
 &rst
  ixpk= 2167, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 228, 229, 161, 162,
 igr2= 207, 208,
 &end
#
#   23 ASN  HB-          13 TYR  HB-         5.50    (#   2168:20  Unique         2.53, 4.63 A)
 &rst
  ixpk= 2168, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 207, 208,
 &end
#
#   46 VAL  MGX          71 ASN  HB+         5.50    (#   2169:20  Unique         2.62, 6.05 A)
 &rst
  ixpk= 2169, 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
#
#   55 GLY  HA+          71 ASN  HB+         5.50    (#   2170:20  Unique         2.29, 4.12 A)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 867, 868,
 igr2=1111,1112,
 &end
#
#   72 ALA  HN           71 ASN  HB+         5.50    (#   2171:20  Unique         4.25, 4.40 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1111,1112,
 &end
#
#   58 LYS  HG-          71 ASN  HB-         5.50    (#   2172:20  Unique         2.51, 4.33 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 906, 907,
 igr2=1111,1112,
 &end
#
#   16 GLU  HN           16 GLU  HG+         5.50    (#   2173:20  Unique         2.84, 4.01 A)
 &rst
  ixpk= 2173, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 265, 266,
 &end
#
#   16 GLU  HN           16 GLU  HG-         5.50    (#   2174:20  Unique         2.84, 4.01 A)
 &rst
  ixpk= 2174, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 265, 266,
 &end
#
#   28 GLU  HA            0 AMB  20-1:2175   5.50    (#   2175:20  Single Ambig)
 &rst
  ixpk= 2175, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 507, 508, 507, 508,
 &end
#
#   29 VAL  HN           28 GLU  HG+         5.50    (#   2176:20  Unique         4.30, 4.89 A)
 &rst
  ixpk= 2176, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 454, 455,
 &end
#
#   82 LYS  HE-          82 LYS  HB+         5.50    (#   2178:20  Unique         4.26, 4.70 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1262,1263,
 &end
#
#   82 LYS  HE+          82 LYS  HB+         5.50    (#   2179:20  Unique         4.26, 4.70 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1262,1263,
 &end
#
#   18 VAL  HA           82 LYS  HB+         5.50    (#   2180:20  Unique         3.45, 4.32 A)
 &rst
  ixpk= 2180, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1262,1263,
 &end
#
#    0 AMB  20-2:2181     0 AMB  20-1:2181   5.50    (#   2181:20  Double Ambig)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1254,1282,
 igr2=1262,1263,1262,1263,
 &end
#
#    0 AMB  20-2:2182     0 AMB  20-1:2182   5.50    (#   2182:20  Double Ambig)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 638, 639, 962,
 igr2=1028,1029,1028,1029,
 &end
#
#    0 AMB  20-2:2183     0 AMB  20-1:2183   5.50    (#   2183:20  Double Ambig)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 957, 978, 979,1047,
 igr2=1028,1029,1028,1029,1028,1029,
 &end
#
#    0 AMB  20-2:2186    66 TYR  HB-         5.50    (#   2186:20  Single Ambig)
 &rst
  ixpk= 2186, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 638, 639, 962,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:2187     0 AMB  20-1:2187   4.50    (#   2187:20  Double Ambig)
 &rst
  ixpk= 2187, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 938, 867, 868,
 igr2= 928, 929, 992, 993,
 &end
#
#   17 HIS  HN           82 LYS  HB+         5.50    (#   2188:20  Unique         2.92, 4.31 A)
 &rst
  ixpk= 2188, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1262,1263,
 &end
#
#   17 HIS  HN           82 LYS  HB-         5.50    (#   2189:20  Unique         2.92, 4.31 A)
 &rst
  ixpk= 2189, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1262,1263,
 &end
#
#   82 LYS  HE-          82 LYS  HB-         5.50    (#   2190:20  Unique         4.26, 4.70 A)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1262,1263,
 &end
#
#   82 LYS  HE+          82 LYS  HB-         5.50    (#   2191:20  Unique         4.26, 4.70 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1262,1263,
 &end
#
#   18 VAL  HA           82 LYS  HB-         5.50    (#   2192:20  Unique         3.45, 4.32 A)
 &rst
  ixpk= 2192, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1262,1263,
 &end
#
#    0 AMB  20-2:2193    82 LYS  HB-         5.50    (#   2193:20  Single Ambig)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1254,1282,
 igr2=1262,1263,
 &end
#
#   58 LYS  HN           59 GLU  HG+         5.50    (#   2194:20  Unique         4.24, 5.42 A)
 &rst
  ixpk= 2194, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 928, 929,
 &end
#
#   53 GLN  HE2-         53 GLN  HG+         5.50    (#   2196:20  Unique         2.26, 3.37 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 849, 850,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:2198     0 AMB  20-1:2198   5.50    (#   2198:20  Double Ambig)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1109, 714,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:2199     0 AMB  20-1:2199   5.50    (#   2199:20  Double Ambig)
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1078,1061,
 igr2=1099,1100,1099,1100,
 &end
#
#   71 ASN  HN            0 AMB  20-1:2200   5.50    (#   2200:20  Single Ambig)
 &rst
  ixpk= 2200, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1099,1100,1099,1100,
 &end
#
#   70 GLU  HB-          70 GLU  HG+         3.50    (#   2201:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1096,1097,
 igr2=1099,1100,
 &end
#
#   61 LEU  MDX          64 MET  HB+         5.50    (#   2202:20  Unique         3.11, 5.76 A)
 &rst
  ixpk= 2202, 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=1004,1005,
 &end
#
#    0 AMB  20-2:2205     0 AMB  20-1:2205   5.50    (#   2205:20  Double Ambig)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
 igr1= 147, 148, 149, 151, 152, 153, 959, 960, 644, 645,
      
 igr2= 193, 194,1004,1005,
 &end
#
#   23 ASN  HD2-         12 GLN  HG-         5.50    (#   2206:20  Unique         3.53, 4.62 A)
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 193, 194,
 &end
#
#   66 TYR  HN           64 MET  HB-         5.50    (#   2207:20  Unique         3.04, 4.03 A)
 &rst
  ixpk= 2207, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1004,1005,
 &end
#
#   83 VAL  HA           84 LYS  HB-         5.50    (#   2208:20  Unique         4.11, 5.11 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=1282,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1300,1301,
 &end
#
#   19 GLN  HA           83 VAL  HB          5.50    (#   2209:20  Unique         4.10, 5.15 A)
 &rst
  ixpk= 2209, nxpk= 20, iat= 308,1284, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2210    46 VAL  HB          5.50    (#   2210:20  Single Ambig)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  70,1121,
 &end
#
#   19 GLN  HE2-         19 GLN  HG+         5.50    (#   2211:20  Unique         2.24, 3.42 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 318, 319,
 igr2= 313, 314,
 &end
#
#   83 VAL  MGX          19 GLN  HG-         4.50    (#   2212:20  Unique         2.47, 4.49 A)
 &rst
  ixpk= 2212, 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
#
#   20 GLY  HA+          19 GLN  HG-         5.50    (#   2213:20  Unique         3.72, 5.59 A)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 325, 326,
 igr2= 313, 314,
 &end
#
#   83 VAL  HN           19 GLN  HG-         5.50    (#   2214:20  Unique         3.29, 5.48 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#    0 AMB  20-2:2215    70 GLU  HB-         5.50    (#   2215:20  Single Ambig)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1078,1061,
 igr2=1096,1097,
 &end
#
#   46 VAL  HN           70 GLU  HB-         5.50    (#   2216:20  Unique         3.90, 5.06 A)
 &rst
  ixpk= 2216, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1096,1097,
 &end
#
#   81 PRO  HD-          80 MET  HG+         5.50    (#   2217:20  Unique         3.39, 4.68 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2=1234,1235,
 &end
#
#   27 LYS  HN           25 PRO  HB+         5.50    (#   2218:20  Unique         2.86, 3.40 A)
 &rst
  ixpk= 2218, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#   61 LEU  MDX          64 MET  HG-         5.50    (#   2219:20  Unique         2.76, 6.24 A)
 &rst
  ixpk= 2219, 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
#
#   45 LYS  HN            3 HIS  HB+         5.50    (#   2220:20  Unique         4.03, 4.72 A)
 &rst
  ixpk= 2220, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#   46 VAL  HN           45 LYS  HB+         5.50    (#   2221:20  Unique         3.37, 4.06 A)
 &rst
  ixpk= 2221, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 716, 717,
 &end
#
#   39 ASP  HN           38 PRO  HB+         5.50    (#   2224:20  Unique         2.77, 3.92 A)
 &rst
  ixpk= 2224, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 615, 616,
 &end
#
#    0 AMB  20-2:2225    10 PRO  HB-         4.50    (#   2225:20  Single Ambig)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 145, 193, 194,
 igr2= 164, 165,
 &end
#
#   42 ASP  HB-          37 VAL  HB          5.50    (#   2226:20  Unique         4.26, 5.83 A)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 674, 675,
 &end
#
#    0 AMB  20-2:2227     0 AMB  20-1:2227   5.50    (#   2227:20  Double Ambig)
 &rst
  ixpk= 2227, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 626, 627, 626, 627,
 igr2= 615, 616, 596,
 &end
#
#   39 ASP  HN           38 PRO  HB-         4.50    (#   2228:20  Unique         2.77, 3.92 A)
 &rst
  ixpk= 2228, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 615, 616,
 &end
#
#    0 AMB  20-2:2229     0 AMB  20-1:2229   5.50    (#   2229:20  Double Ambig)
 &rst
  ixpk= 2229, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1= 368, 369, 582,
 igr2= 164, 165, 596, 615, 616,
 &end
#
#   29 VAL  HN            0 AMB  20-1:2231   5.50    (#   2231:20  Single Ambig)
 &rst
  ixpk= 2231, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 482, 483, 429, 430,
 &end
#
#    4 TRP  HE1           0 AMB  20-1:2232   5.50    (#   2232:20  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  18,  19,  18,  19,
 &end
#
#   72 ALA  MB           45 LYS  HB-         5.50    (#   2234:20  Unique         2.22, 4.74 A)
 &rst
  ixpk= 2234, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1125,1126,1127,
 igr2= 716, 717,
 &end
#
#   18 VAL  MGY          17 HIS  HB+         5.50    (#   2235:20  Unique         4.76, 6.96 A)
 &rst
  ixpk= 2235, 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
#
#    0 AMB  20-2:2236     0 AMB  20-1:2236   5.50    (#   2236:20  Double Ambig)
 &rst
  ixpk= 2236, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1154,1155,1156,1158,1159,1160,1286,1287,1288,1290,
      1291,1292,
 igr2= 277, 278, 277, 278,
 &end
#
#    0 AMB  20-2:2237     0 AMB  20-1:2237   5.50    (#   2237:20  Double Ambig)
 &rst
  ixpk= 2237, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 294,1262,1263,
 igr2= 277, 278, 277, 278,
 &end
#
#   17 HIS  HN           17 HIS  HB+         5.50    (#   2239:20  Unique         2.33, 3.49 A)
 &rst
  ixpk= 2239, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:2242    17 HIS  HB-         5.50    (#   2242:20  Single Ambig)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:2243    17 HIS  HB-         5.50    (#   2243:20  Single Ambig)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1154,1155,1156,1158,1159,1160,1286,1287,1288,1290,
      1291,1292,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:2244    17 HIS  HB-         5.50    (#   2244:20  Single Ambig)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 294,1262,1263,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:2245    17 HIS  HB-         5.50    (#   2245:20  Single Ambig)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 193, 194,  93,  94,
 igr2= 277, 278,
 &end
#
#   17 HIS  HN           17 HIS  HB-         5.50    (#   2247:20  Unique         2.33, 3.49 A)
 &rst
  ixpk= 2247, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:2250     3 HIS  HB-         5.50    (#   2250:20  Single Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  16, 332,
 igr2=  33,  34,
 &end
#
#   45 LYS  HN            3 HIS  HB-         5.50    (#   2251:20  Unique         4.03, 4.72 A)
 &rst
  ixpk= 2251, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#   67 THR  HN           40 LYS  HB-         5.50    (#   2252:20  Unique         2.83, 4.50 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:2253     0 AMB  20-1:2253   3.50    (#   2253:20  Double Ambig)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 641, 642, 644, 645,
 igr2= 638, 639, 638, 639,
 &end
#
#   19 GLN  HE2+         81 PRO  HB-         5.50    (#   2254:20  Unique         2.77, 7.44 A)
 &rst
  ixpk= 2254, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 318, 319,
 igr2=1251,1252,
 &end
#
#    0 AMB  20-2:2255     0 AMB  20-1:2255   5.50    (#   2255:20  Double Ambig)
 &rst
  ixpk= 2255, 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
#
#   41 ASN  HN           40 LYS  HB+         5.50    (#   2256:20  Unique         3.27, 4.26 A)
 &rst
  ixpk= 2256, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:2257    58 LYS  HB-         5.50    (#   2257:20  Single Ambig)
 &rst
  ixpk= 2257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 912, 913, 912, 913,
 igr2= 903, 904,
 &end
#
#   55 GLY  HA+          58 LYS  HB-         5.50    (#   2260:20  Unique         2.17, 3.53 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 867, 868,
 igr2= 903, 904,
 &end
#
#   76 LYS  HA           76 LYS  HB-         3.50    (#   2261:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=1166,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1168,1169,
 &end
#
#   32 ARG  HN           28 GLU  HB+         5.50    (#   2262:20  Unique         3.30, 4.46 A)
 &rst
  ixpk= 2262, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:2265     0 AMB  20-1:2265   5.50    (#   2265:20  Double Ambig)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 478, 447,
 igr2= 504, 505, 504, 505, 504, 505,
 &end
#
#   58 LYS  HA           58 LYS  HD-         5.50    (#   2267:20  Unique         3.53, 4.19 A)
 &rst
  ixpk= 2267, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:2268    58 LYS  HD-         5.50    (#   2268:20  Single Ambig)
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 923, 978, 979,
 igr2= 909, 910,
 &end
#
#   45 LYS  HB+           4 TRP  HB+         5.50    (#   2271:20  Unique         3.42, 5.13 A)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 716, 717,
 igr2=  50,  51,
 &end
#
#   45 LYS  HB+           4 TRP  HB-         5.50    (#   2272:20  Unique         3.42, 5.13 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 716, 717,
 igr2=  50,  51,
 &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=  31, 714,
 igr2=  50,  51,  50,  51,
 &end
#
#    0 AMB  20-2:2274     4 TRP  HB-         5.50    (#   2274:20  Single Ambig)
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  31, 714,
 igr2=  50,  51,
 &end
#
#   21 ALA  HN            4 TRP  HB+         5.50    (#   2277:20  Unique         3.72, 4.77 A)
 &rst
  ixpk= 2277, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#   21 ALA  HN            4 TRP  HB-         5.50    (#   2278:20  Unique         3.72, 4.77 A)
 &rst
  ixpk= 2278, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#   22 ILE  HN            4 TRP  HB-         5.50    (#   2279:20  Unique         3.96, 4.71 A)
 &rst
  ixpk= 2279, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#   12 GLN  HN            9 VAL  HB          5.50    (#   2280:20  Unique         3.85, 4.49 A)
 &rst
  ixpk= 2280, nxpk= 20, iat= 186, 145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 GLY  HA+          40 LYS  HD+         5.50    (#   2281:20  Unique         3.19, 4.89 A)
 &rst
  ixpk= 2281, 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    (#   2282:20  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2282, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 644, 645,
 &end
#
#   53 GLN  HE2+         53 GLN  HB+         5.50    (#   2284:20  Unique         2.48, 3.97 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 849, 850,
 igr2= 841, 842,
 &end
#
#   48 CYS  HB+          53 GLN  HB-         5.50    (#   2286:20  Unique         2.15, 3.62 A)
 &rst
  ixpk= 2286, 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  20-2:2287    53 GLN  HB-         5.50    (#   2287:20  Single Ambig)
 &rst
  ixpk= 2287, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 856, 858, 859,
 igr2= 841, 842,
 &end
#
#    0 AMB  20-2:2290     0 AMB  20-1:2290   5.50    (#   2290:20  Double Ambig)
 &rst
  ixpk= 2290, 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=1268,1269,1268,1269,
 &end
#
#    0 AMB  20-2:2291    82 LYS  HD-         5.50    (#   2291:20  Single Ambig)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1268,1269,
 &end
#
#   18 VAL  HA           82 LYS  HD-         5.50    (#   2292:20  Unique         4.07, 5.03 A)
 &rst
  ixpk= 2292, 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    (#   2293:20  Unique         2.76, 4.75 A)
 &rst
  ixpk= 2293, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1268,1269,
 &end
#
#   66 TYR  HA           40 LYS  HD-         5.50    (#   2294:20  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 644, 645,
 &end
#
#    0 AMB  20-2:2295     0 AMB  20-1:2295   5.50    (#   2295:20  Double Ambig)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 224, 974,
 igr2= 245, 246, 245, 246, 989, 990, 989, 990, 925, 926,
       925, 926,
 &end
#
#   20 GLY  HN           19 GLN  HB-         5.50    (#   2296:20  Unique         2.55, 4.21 A)
 &rst
  ixpk= 2296, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 310, 311,
 &end
#
#   45 LYS  HN           45 LYS  HD+         5.50    (#   2299:20  Unique         3.92, 4.83 A)
 &rst
  ixpk= 2299, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#    4 TRP  HE1          45 LYS  HD+         5.50    (#   2300:20  Unique         2.52, 4.00 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#    0 AMB  20-2:2301     0 AMB  20-1:2301   5.50    (#   2301:20  Double Ambig)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 702, 703, 704, 706, 707, 708,
 igr2=1063,1064,1063,1064,1063,1064,
 &end
#
#   69 VAL  HN           68 HIS  HB+         5.50    (#   2304:20  Unique         3.65, 4.34 A)
 &rst
  ixpk= 2304, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1063,1064,
 &end
#
#    0 AMB  20-2:2305    68 HIS  HB-         5.50    (#   2305:20  Single Ambig)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 702, 703, 704, 706, 707, 708,
 igr2=1063,1064,
 &end
#
#   69 VAL  HN           68 HIS  HB-         5.50    (#   2308:20  Unique         3.65, 4.34 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1063,1064,
 &end
#
#   18 VAL  MGX          19 GLN  HB+         5.50    (#   2309:20  Unique         4.23, 6.38 A)
 &rst
  ixpk= 2309, 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= 310, 311,
 &end
#
#   20 GLY  HN           19 GLN  HB+         5.50    (#   2310:20  Unique         2.55, 4.21 A)
 &rst
  ixpk= 2310, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:2312    45 LYS  HD-         5.50    (#   2312:20  Single Ambig)
 &rst
  ixpk= 2312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  18,  19,  18,  19,
 igr2= 722, 723,
 &end
#
#   45 LYS  HN           45 LYS  HD-         5.50    (#   2315:20  Unique         3.92, 4.83 A)
 &rst
  ixpk= 2315, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#    4 TRP  HE1          45 LYS  HD-         5.50    (#   2316:20  Unique         2.52, 4.00 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#    8 ARG  HN           48 CYS  HB+         5.50    (#   2317:20  Unique         2.87, 4.88 A)
 &rst
  ixpk= 2317, nxpk= 20, iat= 117,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 775, 776,
 &end
#
#    0 AMB  20-2:2318     0 AMB  20-1:2318   5.50    (#   2318:20  Double Ambig)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 750,1138, 889,
 igr2= 775, 776, 775, 776, 775, 776,
 &end
#
#    7 VAL  HN           48 CYS  HB-         5.50    (#   2320:20  Unique         2.13, 4.03 A)
 &rst
  ixpk= 2320, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 775, 776,
 &end
#
#    0 AMB  20-2:2321    48 CYS  HB-         5.50    (#   2321:20  Single Ambig)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 750,1138, 889,
 igr2= 775, 776,
 &end
#
#    0 AMB  20-2:2324    48 CYS  HB-         5.50    (#   2324:20  Single Ambig)
 &rst
  ixpk= 2324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 124, 125, 124, 125,
 igr2= 775, 776,
 &end
#
#   79 ALA  HN           78 ILE  HG1+        5.50    (#   2325:20  Unique         3.66, 5.12 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=1217,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:2326     0 AMB  20-1:2326   5.50    (#   2326:20  Double Ambig)
 &rst
  ixpk= 2326, 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
#
#   23 ASN  HD2-         25 PRO  HG-         5.50    (#   2327:20  Unique         2.17, 4.23 A)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:2328     0 AMB  20-1:2328   5.50    (#   2328:20  Double Ambig)
 &rst
  ixpk= 2328, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 872, 462,
 igr2= 820, 821, 522, 523,
 &end
#
#    0 AMB  20-2:2329    61 LEU  HG          3.50    (#   2329:20  Single Ambig)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1= 468, 469, 470, 472, 473, 474, 942, 943, 944,1082,
      1083,1084,1086,1087,1088,1082,1083,1084,1086,1087,
      1088, 740, 741, 742, 744, 745, 746,
 &end
#
#   57 ALA  HA           61 LEU  HG          5.50    (#   2330:20  Unique         3.78, 4.08 A)
 &rst
  ixpk= 2330, nxpk= 20, iat= 891, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 SER  HN           61 LEU  HG          5.50    (#   2331:20  Unique         4.50, 4.59 A)
 &rst
  ixpk= 2331, nxpk= 20, iat= 974, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2332    52 ARG  HG-         3.50    (#   2332:20  Single Ambig)
 &rst
  ixpk= 2332, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 817, 818, 817, 818,
 igr2= 820, 821,
 &end
#
#   26 LEU  HB+          26 LEU  HG          3.50    (#   2333:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#   27 LYS  HA           26 LEU  HG          5.50    (#   2334:20  Unique         3.44, 3.78 A)
 &rst
  ixpk= 2334, nxpk= 20, iat= 427, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   82 LYS  HE-          75 LEU  HG          5.50    (#   2335:20  Unique         2.42, 4.25 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   75 LEU  HA           75 LEU  HG          5.50    (#   2336:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 2336, nxpk= 20, iat=1147,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2337     0 AMB  20-1:2337   5.50    (#   2337:20  Double Ambig)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 332, 784,
 igr2= 350, 351,1152,
 &end
#
#   75 LEU  HN           75 LEU  HG          5.50    (#   2338:20  Unique         4.32, 4.48 A)
 &rst
  ixpk= 2338, nxpk= 20, iat=1145,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 ALA  HA           22 ILE  HG1+        5.50    (#   2339:20  Unique         3.08, 4.22 A)
 &rst
  ixpk= 2339, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:2340     0 AMB  20-1:2340   5.50    (#   2340:20  Double Ambig)
 &rst
  ixpk= 2340, 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
#
#   37 VAL  MGX          33 ILE  HG1+        5.50    (#   2344:20  Unique         3.11, 5.42 A)
 &rst
  ixpk= 2344, 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
#
#    0 AMB  20-2:2347     0 AMB  20-1:2347   5.50    (#   2347:20  Double Ambig)
 &rst
  ixpk= 2347, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 592, 539,
 igr2= 549, 550, 549, 550,
 &end
#
#    0 AMB  20-2:2348    75 LEU  MDX         5.50    (#   2348:20  Single Ambig)
 &rst
  ixpk= 2348, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#   82 LYS  HE-          75 LEU  MDX         5.50    (#   2349:20  Unique         2.12, 4.82 A)
 &rst
  ixpk= 2349, 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
#
#   75 LEU  HN           75 LEU  MDX         5.50    (#   2352:20  Unique         4.25, 5.18 A)
 &rst
  ixpk= 2352, 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
#
#   56 GLN  HE2-         26 LEU  MDX         5.50    (#   2355:20  Unique         2.89, 5.56 A)
 &rst
  ixpk= 2355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 884, 885,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   53 GLN  HE2-         26 LEU  MDX         5.50    (#   2356:20  Unique         2.56, 5.96 A)
 &rst
  ixpk= 2356, 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
#
#   53 GLN  HE2+         26 LEU  MDX         5.50    (#   2358:20  Unique         2.56, 5.96 A)
 &rst
  ixpk= 2358, 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
#
#   58 LYS  HN           26 LEU  MDX         5.50    (#   2359:20  Unique         5.03, 6.60 A)
 &rst
  ixpk= 2359, nxpk= 20, iat= 899,  -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    (#   2360:20  Unique         3.30, 5.43 A)
 &rst
  ixpk= 2360, 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
#
#   25 PRO  HD-          24 ILE  HG1+        5.50    (#   2361:20  Unique         4.64, 5.23 A)
 &rst
  ixpk= 2361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 394,
 igr2= 383, 384,
 &end
#
#   24 ILE  HN           24 ILE  HG1+        5.50    (#   2362:20  Unique         2.94, 3.49 A)
 &rst
  ixpk= 2362, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:2363     0 AMB  20-1:2363   5.50    (#   2363:20  Double Ambig)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 504, 505, 504, 505,
 igr2= 485, 486, 485, 486,
 &end
#
#   64 MET  HG-          30 LYS  HG+         5.50    (#   2364:20  Unique         2.62, 4.42 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1007,1008,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:2365     0 AMB  20-1:2365   5.50    (#   2365:20  Double Ambig)
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1026, 624,
 igr2= 641, 642, 641, 642,
 &end
#
#    0 AMB  20-2:2366    40 LYS  HG-         5.50    (#   2366:20  Single Ambig)
 &rst
  ixpk= 2366, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1026, 624,
 igr2= 641, 642,
 &end
#
#   29 VAL  HN           61 LEU  MDY         5.50    (#   2369:20  Unique         6.34, 7.81 A)
 &rst
  ixpk= 2369, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    4 TRP  HA           45 LYS  HG-         5.50    (#   2370:20  Unique         4.50, 5.21 A)
 &rst
  ixpk= 2370, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 719, 720,
 &end
#
#   64 MET  HB-          30 LYS  HG-         5.50    (#   2372:20  Unique         4.78, 6.21 A)
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1004,1005,
 igr2= 485, 486,
 &end
#
#   64 MET  HG-          30 LYS  HG-         5.50    (#   2373:20  Unique         2.62, 4.42 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1007,1008,
 igr2= 485, 486,
 &end
#
#   71 ASN  HB-          58 LYS  HG-         5.50    (#   2374:20  Unique         2.51, 4.33 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2= 906, 907,
 &end
#
#   71 ASN  HB-          58 LYS  HG+         5.50    (#   2375:20  Unique         2.51, 4.33 A)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2= 906, 907,
 &end
#
#   59 GLU  HA           58 LYS  HG+         5.50    (#   2376:20  Unique         4.50, 5.35 A)
 &rst
  ixpk= 2376, nxpk= 20, iat= 923,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:2377    58 LYS  HG-         5.50    (#   2377:20  Single Ambig)
 &rst
  ixpk= 2377, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 923, 978, 979,
 igr2= 906, 907,
 &end
#
#   59 GLU  HN           58 LYS  HG-         5.50    (#   2379:20  Unique         4.34, 4.76 A)
 &rst
  ixpk= 2379, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 906, 907,
 &end
#
#   19 GLN  HN           82 LYS  HG-         5.50    (#   2382:20  Unique         3.60, 4.30 A)
 &rst
  ixpk= 2382, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#   66 TYR  HB+          61 LEU  MDX         5.50    (#   2383:20  Unique         3.54, 5.54 A)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1028,1029,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:2386    61 LEU  MDX         5.50    (#   2386:20  Single Ambig)
 &rst
  ixpk= 2386, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 974, 696,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   64 MET  HG-          29 VAL  MGY         5.50    (#   2387:20  Unique         4.73, 7.60 A)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1007,1008,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    7 VAL  HA           29 VAL  MGY         5.50    (#   2388:20  Unique         4.42, 6.12 A)
 &rst
  ixpk= 2388, 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
#
#    0 AMB  20-2:2389    75 LEU  MDY         5.50    (#   2389:20  Single Ambig)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 277, 278, 786, 787,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:2390    75 LEU  MDY         5.50    (#   2390:20  Single Ambig)
 &rst
  ixpk= 2390, 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
#
#   76 LYS  HA           75 LEU  MDY         5.50    (#   2392:20  Unique         2.62, 5.60 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=1166,  -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  MDY         5.50    (#   2393:20  Unique         4.25, 5.18 A)
 &rst
  ixpk= 2393, 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
#
#   76 LYS  HN           75 LEU  MDY         5.50    (#   2394:20  Unique         3.23, 5.29 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1154,1155,1156,1158,1159,1160,
 &end
#
#    0 AMB  20-2:2397     0 AMB  20-1:2397   2.80    (#   2397:20  Double Ambig)
 &rst
  ixpk= 2397, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1174,1175,1174,1175,1174,1175,
 igr2=1171,1172,1171,1172,1171,1172,
 &end
#
#   26 LEU  HB+          26 LEU  MDY         3.50    (#   2398:20  Unique         2.42, 3.33 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 410, 411,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   53 GLN  HA           26 LEU  MDY         5.50    (#   2399:20  Unique         2.35, 4.57 A)
 &rst
  ixpk= 2399, nxpk= 20, iat= 839,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   59 GLU  HN           26 LEU  MDY         5.50    (#   2400:20  Unique         6.20, 7.73 A)
 &rst
  ixpk= 2400, nxpk= 20, iat= 921,  -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    (#   2401:20  Unique         3.30, 5.43 A)
 &rst
  ixpk= 2401, 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
#
#   58 LYS  HE-           0 AMB  20-1:2402   5.50    (#   2402:20  Single Ambig)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 912, 913,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   58 LYS  HA            0 AMB  20-1:2403   4.50    (#   2403:20  Single Ambig)
 &rst
  ixpk= 2403, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   67 THR  HN            0 AMB  20-1:2405   5.50    (#   2405:20  Single Ambig)
 &rst
  ixpk= 2405, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:2406     0 AMB  20-1:2406   5.50    (#   2406:20  Double Ambig)
 &rst
  ixpk= 2406, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 734, 955, 899,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:2407     0 AMB  20-1:2407   5.50    (#   2407:20  Double Ambig)
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 974, 696,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   70 GLU  HN            0 AMB  20-1:2408   5.50    (#   2408:20  Single Ambig)
 &rst
  ixpk= 2408, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   82 LYS  HE+          18 VAL  MGY         5.50    (#   2409:20  Unique         2.22, 5.05 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1271,1272,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    4 TRP  HB+          18 VAL  MGY         5.50    (#   2410:20  Unique         2.63, 6.09 A)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  50,  51,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2411    18 VAL  MGY         5.50    (#   2411:20  Single Ambig)
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 325, 326,1147,1245,1246,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   45 LYS  HA           44 VAL  MGX         5.50    (#   2413:20  Unique         3.69, 5.84 A)
 &rst
  ixpk= 2413, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   69 VAL  HA           44 VAL  MGX         5.50    (#   2414:20  Unique         3.41, 4.74 A)
 &rst
  ixpk= 2414, 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
#
#   46 VAL  HA           44 VAL  MGX         5.50    (#   2415:20  Unique         4.36, 6.43 A)
 &rst
  ixpk= 2415, nxpk= 20, iat= 736,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   46 VAL  HN           44 VAL  MGX         5.50    (#   2416:20  Unique         3.33, 6.05 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   70 GLU  HN           44 VAL  MGX         5.50    (#   2417:20  Unique         3.58, 5.68 A)
 &rst
  ixpk= 2417, 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    (#   2418:20  Unique         3.98, 6.27 A)
 &rst
  ixpk= 2418, 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
#
#   65 GLY  HA-          67 THR  MG2         5.50    (#   2419:20  Unique         4.23, 6.10 A)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1019,1020,
 igr2=1051,1052,1053,
 &end
#
#   41 ASN  HD2+         67 THR  MG2         5.50    (#   2420:20  Unique         2.46, 6.58 A)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 665, 666,
 igr2=1051,1052,1053,
 &end
#
#   68 HIS  HN           67 THR  MG2         5.50    (#   2421:20  Unique         3.47, 5.02 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1051,1052,1053,
 &end
#
#    0 AMB  20-2:2422    44 VAL  MGY         3.50    (#   2422:20  Single Ambig)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   66 TYR  HB-          44 VAL  MGY         5.50    (#   2423:20  Unique         2.94, 6.14 A)
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1028,1029,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   69 VAL  HN           44 VAL  MGY         5.50    (#   2427:20  Unique         5.86, 7.07 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    7 VAL  HB           29 VAL  MGX         5.50    (#   2429:20  Unique         3.43, 4.77 A)
 &rst
  ixpk= 2429, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:2430    29 VAL  MGX         5.50    (#   2430:20  Single Ambig)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 957, 375,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   31 GLU  HN           29 VAL  MGX         5.50    (#   2431:20  Unique         4.84, 5.95 A)
 &rst
  ixpk= 2431, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   32 ARG  HN           29 VAL  MGX         5.50    (#   2432:20  Unique         4.97, 6.54 A)
 &rst
  ixpk= 2432, 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  20-2:2433    21 ALA  MB          5.50    (#   2433:20  Single Ambig)
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1204,1205,1206,  76,  77,  78,
 igr2= 334, 335, 336,
 &end
#
#   44 VAL  HA           43 THR  MG2         5.50    (#   2435:20  Unique         3.87, 5.22 A)
 &rst
  ixpk= 2435, nxpk= 20, iat= 698,  -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    (#   2436:20  Unique         4.28, 5.50 A)
 &rst
  ixpk= 2436, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 688, 689, 690,
 &end
#
#   19 GLN  HN           83 VAL  MGY         5.50    (#   2437:20  Unique         3.24, 5.27 A)
 &rst
  ixpk= 2437, 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
#
#   29 VAL  HB           46 VAL  MGX         5.50    (#   2438:20  Unique         5.78, 7.62 A)
 &rst
  ixpk= 2438, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   58 LYS  HB+          46 VAL  MGX         5.50    (#   2439:20  Unique         2.26, 4.78 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 903, 904,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   71 ASN  HN           46 VAL  MGX         5.50    (#   2440:20  Unique         4.15, 6.36 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   70 GLU  HN           46 VAL  MGX         5.50    (#   2441:20  Unique         3.15, 5.22 A)
 &rst
  ixpk= 2441, 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
#
#   53 GLN  HB-           7 VAL  MGY         5.50    (#   2442:20  Unique         2.85, 6.40 A)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 841, 842,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   26 LEU  HN            7 VAL  MGY         5.50    (#   2443:20  Unique         4.08, 5.32 A)
 &rst
  ixpk= 2443, 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
#
#   52 ARG  HN           50 ALA  MB          5.50    (#   2444:20  Unique         2.67, 3.93 A)
 &rst
  ixpk= 2444, nxpk= 20, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 800, 801, 802,
 &end
#
#   19 GLN  HN           83 VAL  MGX         5.50    (#   2448:20  Unique         3.24, 5.27 A)
 &rst
  ixpk= 2448, 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
#
#   20 GLY  HN           83 VAL  MGX         5.50    (#   2449:20  Unique         3.58, 6.14 A)
 &rst
  ixpk= 2449, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:2450    37 VAL  MGX         3.50    (#   2450:20  Single Ambig)
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 552, 553, 554,  83,  84,  85,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   44 VAL  MGY          37 VAL  MGX         4.50    (#   2452:20  Unique         2.26, 5.19 A)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   38 PRO  HD+          37 VAL  MGX         5.50    (#   2453:20  Unique         3.17, 5.30 A)
 &rst
  ixpk= 2453, 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
#
#   80 MET  HG+          18 VAL  MGX         5.50    (#   2454:20  Unique         2.17, 5.53 A)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1234,1235,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   78 ILE  HN           18 VAL  MGX         5.50    (#   2457:20  Unique         4.27, 6.45 A)
 &rst
  ixpk= 2457, nxpk= 20, iat=1198,  -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    (#   2459:20  Unique         2.14, 3.88 A)
 &rst
  ixpk= 2459, 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
#
#   21 ALA  HN           18 VAL  MGX         5.50    (#   2460:20  Unique         2.57, 5.14 A)
 &rst
  ixpk= 2460, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2461    33 ILE  QG2         5.50    (#   2461:20  Single Ambig)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
 igr1= 962, 485, 486, 519, 520, 638, 639,
 igr2= 545, 546, 547,
 &end
#
#   64 MET  ME           33 ILE  QG2         4.50    (#   2462:20  Unique         2.22, 4.19 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1011,1012,1013,
 igr2= 545, 546, 547,
 &end
#
#   34 ALA  HA           33 ILE  QG2         5.50    (#   2463:20  Unique         3.46, 4.58 A)
 &rst
  ixpk= 2463, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 545, 546, 547,
 &end
#
#   36 ALA  HN           33 ILE  QG2         5.50    (#   2464:20  Unique         5.56, 6.22 A)
 &rst
  ixpk= 2464, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 545, 546, 547,
 &end
#
#   32 ARG  HN           33 ILE  QG2         5.50    (#   2466:20  Unique         3.32, 4.88 A)
 &rst
  ixpk= 2466, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:2467    57 ALA  MB          4.50    (#   2467:20  Single Ambig)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 738, 940,
 igr2= 893, 894, 895,
 &end
#
#   58 LYS  HB+          57 ALA  MB          5.50    (#   2468:20  Unique         4.23, 5.63 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 903, 904,
 igr2= 893, 894, 895,
 &end
#
#    7 VAL  HB           57 ALA  MB          5.50    (#   2469:20  Unique         2.56, 3.47 A)
 &rst
  ixpk= 2469, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 893, 894, 895,
 &end
#
#   47 TYR  HB-           7 VAL  MGX         5.50    (#   2470:20  Unique         5.53, 7.47 A)
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 754, 755,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    8 ARG  HN            7 VAL  MGX         5.50    (#   2471:20  Unique         3.81, 5.11 A)
 &rst
  ixpk= 2471, nxpk= 20, iat= 117,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   26 LEU  HN            7 VAL  MGX         5.50    (#   2472:20  Unique         4.08, 5.32 A)
 &rst
  ixpk= 2472, 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
#
#    5 ILE  HN            7 VAL  MGX         5.50    (#   2473:20  Unique         4.69, 6.62 A)
 &rst
  ixpk= 2473, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   82 LYS  HE-          78 ILE  QG2         5.50    (#   2474:20  Unique         2.72, 5.71 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1271,1272,
 igr2=1204,1205,1206,
 &end
#
#   79 ALA  HA           78 ILE  QG2         5.50    (#   2475:20  Unique         3.93, 5.34 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=1219,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1204,1205,1206,
 &end
#
#   80 MET  HA           78 ILE  QG2         5.50    (#   2476:20  Unique         4.27, 5.40 A)
 &rst
  ixpk= 2476, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1204,1205,1206,
 &end
#
#   33 ILE  HG1+         64 MET  ME          5.50    (#   2477:20  Unique         4.53, 6.35 A)
 &rst
  ixpk= 2477, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 549, 550,
 igr2=1011,1012,1013,
 &end
#
#   61 LEU  HA           64 MET  ME          5.50    (#   2478:20  Unique         2.52, 5.57 A)
 &rst
  ixpk= 2478, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1011,1012,1013,
 &end
#
#   64 MET  HA           64 MET  ME          5.50    (#   2479:20  Unique         3.29, 4.63 A)
 &rst
  ixpk= 2479, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:2481    64 MET  ME          5.50    (#   2481:20  Single Ambig)
 &rst
  ixpk= 2481, 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
#
#    7 VAL  HA            5 ILE  QG2         5.50    (#   2483:20  Unique         3.43, 4.63 A)
 &rst
  ixpk= 2483, 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    (#   2484:20  Unique         4.28, 4.72 A)
 &rst
  ixpk= 2484, 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    (#   2485:20  Unique         4.35, 4.90 A)
 &rst
  ixpk= 2485, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1221,1222,1223,
 &end
#
#   80 MET  HG+          79 ALA  MB          5.50    (#   2486:20  Unique         4.07, 5.75 A)
 &rst
  ixpk= 2486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1234,1235,
 igr2=1221,1222,1223,
 &end
#
#   80 MET  HA           80 MET  ME          5.50    (#   2488:20  Unique         3.64, 5.16 A)
 &rst
  ixpk= 2488, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1238,1239,1240,
 &end
#
#   80 MET  HN           80 MET  ME          5.50    (#   2489:20  Unique         4.63, 6.02 A)
 &rst
  ixpk= 2489, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:2493    60 ILE  QD1         5.50    (#   2493:20  Single Ambig)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 889, 899,
 igr2= 949, 950, 951,
 &end
#
#   30 LYS  HN           60 ILE  QD1         5.50    (#   2494:20  Unique         3.92, 5.27 A)
 &rst
  ixpk= 2494, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 949, 950, 951,
 &end
#
#   56 GLN  HB-          60 ILE  QD1         5.50    (#   2495:20  Unique         3.12, 4.67 A)
 &rst
  ixpk= 2495, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 876, 877,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:2496    60 ILE  QD1         5.50    (#   2496:20  Single Ambig)
 &rst
  ixpk= 2496, 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
#
#   22 ILE  HN           22 ILE  QD1         5.50    (#   2497:20  Unique         4.00, 4.71 A)
 &rst
  ixpk= 2497, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 353, 354, 355,
 &end
#
#    0 AMB  20-2:2498     0 AMB  20-1:2498   4.50    (#   2498:20  Double Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 946, 947, 940, 344,
 igr2= 949, 950, 951, 353, 354, 355,
 &end
#
#   24 ILE  HA           24 ILE  QD1         5.50    (#   2499:20  Unique         2.47, 4.64 A)
 &rst
  ixpk= 2499, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 386, 387, 388,
 &end
#
#   36 ALA  HN           24 ILE  QD1         5.50    (#   2500:20  Unique         3.64, 5.01 A)
 &rst
  ixpk= 2500, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HN           24 ILE  QD1         5.50    (#   2501:20  Unique         4.24, 5.25 A)
 &rst
  ixpk= 2501, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 386, 387, 388,
 &end
#
#   33 ILE  HN           24 ILE  QD1         5.50    (#   2502:20  Unique         3.62, 5.17 A)
 &rst
  ixpk= 2502, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 386, 387, 388,
 &end
#
#    3 HIS  HB-           5 ILE  QD1         5.50    (#   2503:20  Unique         2.31, 3.90 A)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  33,  34,
 igr2=  83,  84,  85,
 &end
#
#    3 HIS  HB+           5 ILE  QD1         5.50    (#   2504:20  Unique         2.31, 3.90 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  33,  34,
 igr2=  83,  84,  85,
 &end
#
#   22 ILE  HN            5 ILE  QD1         5.50    (#   2505:20  Unique         3.04, 5.00 A)
 &rst
  ixpk= 2505, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  83,  84,  85,
 &end
#
#   82 LYS  HG+          18 VAL  HA          4.50    (#   2506:20  Unique         2.12, 2.81 A)
 &rst
  ixpk= 2506, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1265,1266,
 &end
#
#   12 GLN  HE2-          6 ASP  HB+         5.50    (#   2507:20  Unique         2.72, 4.02 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 198, 199,
 igr2=  93,  94,
 &end
#
#   75 LEU  MDY          16 GLU  HG+         5.50    (#   2508:20  Unique         2.64, 6.11 A)
 &rst
  ixpk= 2508, 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
#
#    0 AMB  20-2:2510     3 HIS  HB-         5.50    (#   2510:20  Single Ambig)
 &rst
  ixpk= 2510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  80,  81,  80,  81,
 igr2=  33,  34,
 &end
#
#    0 AMB  20-2:2511    40 LYS  HB-         5.50    (#   2511:20  Single Ambig)
 &rst
  ixpk= 2511, 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
#
#   67 THR  MG2          41 ASN  HA          5.50    (#   2513:20  Unique         2.22, 4.58 A)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1051,1052,1053,
 &end
#
#    0 AMB  20-2:2514    41 ASN  HA          3.50    (#   2514:20  Single Ambig)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 660, 661, 647, 648,
 &end
#
#   42 ASP  HN           41 ASN  HA          4.50    (#   2516:20  Unique         3.37, 3.48 A)
 &rst
  ixpk= 2516, nxpk= 20, iat= 670, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASN  HN           41 ASN  HA          4.50    (#   2518:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 2518, nxpk= 20, iat= 656, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 HIS  HN           41 ASN  HA          5.50    (#   2519:20  Unique         2.99, 4.04 A)
 &rst
  ixpk= 2519, nxpk= 20, iat=1059, 658, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 ARG  HA           35 THR  HB          5.50    (#   2520:20  Unique         3.75, 4.97 A)
 &rst
  ixpk= 2520, nxpk= 20, iat= 517, 572, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLU  HN           29 VAL  HA          5.50    (#   2521:20  Unique         3.54, 3.81 A)
 &rst
  ixpk= 2521, nxpk= 20, iat= 500, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ALA  MB           54 SER  HA          3.50    (#   2522:20  Unique         2.30, 3.69 A)
 &rst
  ixpk= 2522, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 893, 894, 895,
 &end
#
#   14 GLN  HN           13 TYR  HA          5.50    (#   2523:20  Unique         3.32, 3.53 A)
 &rst
  ixpk= 2523, nxpk= 20, iat= 224, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2525    69 VAL  HA          5.50    (#   2525:20  Single Ambig)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1099,1100,1099,1100,
 &end
#
#   40 LYS  HG-          66 TYR  HA          5.50    (#   2526:20  Unique         2.24, 4.29 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 641, 642,
 &end
#
#   66 TYR  HN           61 LEU  HA          5.50    (#   2528:20  Unique         3.97, 4.23 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=1024, 957, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2530    16 GLU  HA          5.50    (#   2530:20  Single Ambig)
 &rst
  ixpk= 2530, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 262, 263, 265, 266,
 &end
#
#   68 HIS  HB-          68 HIS  HA          4.50    (#   2532:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2532, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#   43 THR  MG2          68 HIS  HA          5.50    (#   2533:20  Unique         4.09, 5.62 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 688, 689, 690,
 &end
#
#   68 HIS  HB-          68 HIS  HA          4.50    (#   2536:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2536, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#   23 ASN  HD2-         25 PRO  HD-         5.50    (#   2537:20  Unique         3.27, 4.76 A)
 &rst
  ixpk= 2537, 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  20-2:2538    25 PRO  HD-         5.50    (#   2538:20  Single Ambig)
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 373, 462,
 igr2= 393, 394,
 &end
#
#   36 ALA  HA           38 PRO  HD-         5.50    (#   2539:20  Unique         3.77, 4.84 A)
 &rst
  ixpk= 2539, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#    7 VAL  MGX           6 ASP  HB-         5.50    (#   2540:20  Unique         5.30, 6.88 A)
 &rst
  ixpk= 2540, 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=  93,  94,
 &end
#
#    4 TRP  HA            5 ILE  HB          5.50    (#   2544:20  Unique         4.35, 4.65 A)
 &rst
  ixpk= 2544, nxpk= 20, iat=  48,  74, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 GLN  HE2-         19 GLN  HG-         5.50    (#   2545:20  Unique         2.24, 3.42 A)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 318, 319,
 igr2= 313, 314,
 &end
#
#   46 VAL  HN           45 LYS  HB-         5.50    (#   2546:20  Unique         3.37, 4.06 A)
 &rst
  ixpk= 2546, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 716, 717,
 &end
#
#   45 LYS  HD+          45 LYS  HB+         5.50    (#   2547:20  Unique         2.45, 2.81 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 722, 723,
 igr2= 716, 717,
 &end
#
#   78 ILE  HG1-         78 ILE  QG2         4.50    (#   2550:20  Unique         2.22, 3.23 A)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1208,1209,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:2551     4 TRP  HA          5.50    (#   2551:20  Single Ambig)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  33,  34, 754, 755,
 &end
#
#    0 AMB  20-2:2554     4 TRP  HA          5.50    (#   2554:20  Single Ambig)
 &rst
  ixpk= 2554, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 722, 723, 702, 703, 704, 706, 707, 708, 740, 741,
       742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2555     4 TRP  HA          5.50    (#   2555:20  Single Ambig)
 &rst
  ixpk= 2555, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  31, 714,
 &end
#
#    0 AMB  20-2:2556     5 ILE  HB          5.50    (#   2556:20  Single Ambig)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 350, 351, 549, 550, 586, 587, 588,
 &end
#
#    0 AMB  20-2:2557     0 AMB  20-1:2557   4.50    (#   2557:20  Double Ambig)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 893, 894, 895, 377, 350, 351,
 igr2= 940,  74,
 &end
#
#   57 ALA  HA           60 ILE  HB          3.50    (#   2558:20  Unique         2.21, 2.33 A)
 &rst
  ixpk= 2558, nxpk= 20, iat= 891, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:2559     0 AMB  20-1:2559   3.50    (#   2559:20  Double Ambig)
 &rst
  ixpk= 2559, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 955, 750,
 igr2= 940,  74,
 &end
#
#   22 ILE  HG1-          5 ILE  QD1         5.50    (#   2561:20  Unique         2.49, 3.86 A)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 350, 351,
 igr2=  83,  84,  85,
 &end
#
#   24 ILE  HN            6 ASP  HA          5.50    (#   2562:20  Unique         4.91, 4.96 A)
 &rst
  ixpk= 2562, nxpk= 20, iat= 373,  91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 GLY  HA+          19 GLN  HA          5.50    (#   2563:20  Unique         4.36, 4.51 A)
 &rst
  ixpk= 2563, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 325, 326,
 &end
#
#    0 AMB  20-2:2565    60 ILE  HG1-        5.50    (#   2565:20  Single Ambig)
 &rst
  ixpk= 2565, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 923, 957, 427,
 igr2= 946, 947,
 &end
#
#   83 VAL  HN           19 GLN  HG+         5.50    (#   2566:20  Unique         3.29, 5.48 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#    0 AMB  20-2:2567     0 AMB  20-1:2567   5.50    (#   2567:20  Double Ambig)
 &rst
  ixpk= 2567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 325, 326,1254,
 igr2= 313, 314, 313, 314,
 &end
#
#   19 GLN  HB+          19 GLN  HG-         3.50    (#   2568:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   19 GLN  HG+          19 GLN  HB+         2.80    (#   2569:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 313, 314,
 igr2= 310, 311,
 &end
#
#   18 VAL  MGX          19 GLN  HB-         5.50    (#   2570:20  Unique         4.23, 6.38 A)
 &rst
  ixpk= 2570, 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= 310, 311,
 &end
#
#   21 ALA  HA           22 ILE  HB          5.50    (#   2571:20  Unique         4.88, 5.44 A)
 &rst
  ixpk= 2571, nxpk= 20, iat= 332, 344, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2572     0 AMB  20-1:2572   4.50    (#   2572:20  Double Ambig)
 &rst
  ixpk= 2572, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 946, 947,  80,  81,  80,  81,
 igr2= 949, 950, 951, 353, 354, 355,
 &end
#
#   46 VAL  MGX          71 ASN  HA          4.50    (#   2573:20  Unique         2.14, 4.40 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2574    71 ASN  HA          5.50    (#   2574:20  Single Ambig)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 903, 904,1125,1126,1127,
 &end
#
#   71 ASN  HB-          71 ASN  HA          4.50    (#   2575:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1111,1112,
 &end
#
#   72 ALA  HN           71 ASN  HA          3.50    (#   2576:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=1121,1109, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 ASN  HN           71 ASN  HA          5.50    (#   2577:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=1107,1109, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2578    30 LYS  HA          5.50    (#   2578:20  Single Ambig)
 &rst
  ixpk= 2578, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 504, 505, 504, 505, 466,
 &end
#
#   62 SER  HN           58 LYS  HA          5.50    (#   2579:20  Unique         4.00, 4.18 A)
 &rst
  ixpk= 2579, nxpk= 20, iat= 974, 901, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2580    44 VAL  HA          5.50    (#   2580:20  Single Ambig)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 734,  14,
 &end
#
#    3 HIS  HB-           3 HIS  HA          4.50    (#   2581:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,  31, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#    3 HIS  HB+           3 HIS  HA          4.50    (#   2582:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1,  31, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#    4 TRP  HN            3 HIS  HA          3.50    (#   2583:20  Unique         2.12, 2.24 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=  46,  31, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 LYS  HE+          45 LYS  HB+         5.50    (#   2585:20  Unique         4.22, 4.56 A)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 725, 726,
 igr2= 716, 717,
 &end
#
#   45 LYS  HE+          45 LYS  HB-         5.50    (#   2586:20  Unique         4.22, 4.56 A)
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 725, 726,
 igr2= 716, 717,
 &end
#
#    5 ILE  HN           45 LYS  HB+         5.50    (#   2587:20  Unique         3.63, 4.36 A)
 &rst
  ixpk= 2587, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 716, 717,
 &end
#
#    5 ILE  HN           45 LYS  HB-         5.50    (#   2588:20  Unique         3.63, 4.36 A)
 &rst
  ixpk= 2588, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:2589    46 VAL  HA          5.50    (#   2589:20  Single Ambig)
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 714,1109,
 &end
#
#    4 TRP  HA           46 VAL  HA          5.50    (#   2590:20  Unique         4.31, 4.70 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=  48, 736, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  HN            7 VAL  MGY         5.50    (#   2591:20  Unique         3.55, 5.75 A)
 &rst
  ixpk= 2591, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   75 LEU  HN           47 TYR  HB-         5.50    (#   2593:20  Unique         2.68, 4.14 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 754, 755,
 &end
#
#   66 TYR  HN           61 LEU  HB+         5.50    (#   2595:20  Unique         3.64, 4.66 A)
 &rst
  ixpk= 2595, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 959, 960,
 &end
#
#   60 ILE  HN           61 LEU  HG          5.50    (#   2596:20  Unique         4.68, 4.76 A)
 &rst
  ixpk= 2596, nxpk= 20, iat= 936, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2597    52 ARG  HG-         5.50    (#   2597:20  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 884, 885, 872,
 igr2= 820, 821,
 &end
#
#    0 AMB  20-2:2598     0 AMB  20-1:2598   5.50    (#   2598:20  Double Ambig)
 &rst
  ixpk= 2598, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1099,1100, 466,
 igr2= 719, 720, 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:2599    69 VAL  HA          3.50    (#   2599:20  Single Ambig)
 &rst
  ixpk= 2599, nxpk= 20, iat=  -1,1078, 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
#
#    0 AMB  20-2:2600    48 CYS  HA          5.50    (#   2600:20  Single Ambig)
 &rst
  ixpk= 2600, 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
#
#    0 AMB  20-2:2601    48 CYS  HA          5.50    (#   2601:20  Single Ambig)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 124, 125, 124, 125,
 &end
#
#   48 CYS  HB+          48 CYS  HA          5.50    (#   2602:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 775, 776,
 &end
#
#    0 AMB  20-2:2603    48 CYS  HA          5.50    (#   2603:20  Single Ambig)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 750,1138,
 &end
#
#    0 AMB  20-2:2605    68 HIS  HA          5.50    (#   2605:20  Single Ambig)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,1061, 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
#
#    1 ALA  MB            2 GLU  HA          5.50    (#   2606:20  Unique         4.29, 5.16 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=   8,   9,  10,
 &end
#
#   42 ASP  HB-           2 GLU  HA          5.50    (#   2607:20  Unique         4.82, 5.48 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 674, 675,
 &end
#
#    0 AMB  20-2:2608     0 AMB  20-1:2608   2.80    (#   2608:20  Double Ambig)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 454, 455, 504, 505, 504, 505,
 igr2= 429, 430, 482, 483, 482, 483,
 &end
#
#   21 ALA  MB            4 TRP  HB-         4.50    (#   2611:20  Unique         2.42, 4.46 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 334, 335, 336,
 igr2=  50,  51,
 &end
#
#   21 ALA  MB            4 TRP  HB+         4.50    (#   2612:20  Unique         2.42, 4.46 A)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 334, 335, 336,
 igr2=  50,  51,
 &end
#
#    8 ARG  HN            7 VAL  HB          5.50    (#   2613:20  Unique         4.39, 4.59 A)
 &rst
  ixpk= 2613, nxpk= 20, iat= 117, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HB+           7 VAL  HB          4.50    (#   2614:20  Unique         3.06, 4.06 A)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 410, 411,
 &end
#
#    0 AMB  20-2:2615     7 VAL  MGX         5.50    (#   2615:20  Single Ambig)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 738,  74,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    8 ARG  HA            7 VAL  MGX         5.50    (#   2616:20  Unique         4.02, 6.08 A)
 &rst
  ixpk= 2616, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2617     8 ARG  HA          5.50    (#   2617:20  Single Ambig)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 127, 128, 393, 394,
 &end
#
#    0 AMB  20-2:2618     8 ARG  HA          4.50    (#   2618:20  Single Ambig)
 &rst
  ixpk= 2618, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 841, 842, 410, 411, 396, 397,
 &end
#
#    8 ARG  HD+           8 ARG  HB-         4.50    (#   2619:20  Unique         2.30, 2.83 A)
 &rst
  ixpk= 2619, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 127, 128,
 igr2= 121, 122,
 &end
#
#    8 ARG  HA            0 AMB  20-1:2620   5.50    (#   2620:20  Single Ambig)
 &rst
  ixpk= 2620, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 124, 125, 124, 125,
 &end
#
#    0 AMB  20-2:2621     0 AMB  20-1:2621   4.50    (#   2621:20  Double Ambig)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 121, 122, 121, 122,
 igr2= 124, 125, 124, 125,
 &end
#
#   53 GLN  HB-           0 AMB  20-1:2622   3.50    (#   2622:20  Single Ambig)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 841, 842,
 igr2= 124, 125, 124, 125,
 &end
#
#   53 GLN  HB-           8 ARG  HD+         4.50    (#   2623:20  Unique         4.22, 5.93 A)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 841, 842,
 igr2= 127, 128,
 &end
#
#   10 PRO  HA           10 PRO  HB+         3.50    (#   2624:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:2625     0 AMB  20-1:2625   2.80    (#   2625:20  Double Ambig)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 161, 162, 454, 455, 399, 400,
 igr2= 164, 165, 429, 430, 429, 430,
 &end
#
#   10 PRO  HA            0 AMB  20-1:2626   4.50    (#   2626:20  Single Ambig)
 &rst
  ixpk= 2626, 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  20-2:2627    12 GLN  HA          3.50    (#   2627:20  Single Ambig)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 193, 194, 231, 232, 231, 232,
 &end
#
#   12 GLN  HG-           0 AMB  20-1:2628   3.50    (#   2628:20  Single Ambig)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 193, 194,
 igr2= 190, 191, 190, 191,
 &end
#
#    0 AMB  20-2:2629     0 AMB  20-1:2629   3.50    (#   2629:20  Double Ambig)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 193, 194, 193, 194,
 igr2= 190, 191, 190, 191,
 &end
#
#    0 AMB  20-2:2630     0 AMB  20-1:2630   2.80    (#   2630:20  Double Ambig)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 190, 191, 190, 191,
 igr2= 193, 194, 193, 194,
 &end
#
#   56 GLN  HA           56 GLN  HG+         3.50    (#   2631:20  Unique         2.38, 3.00 A)
 &rst
  ixpk= 2631, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 879, 880,
 &end
#
#   56 GLN  HB-          56 GLN  HG+         2.80    (#   2632:20  Unique         2.28, 2.72 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 876, 877,
 igr2= 879, 880,
 &end
#
#   56 GLN  HB-          56 GLN  HG-         2.80    (#   2633:20  Unique         2.28, 2.72 A)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 876, 877,
 igr2= 879, 880,
 &end
#
#    0 AMB  20-2:2634     0 AMB  20-1:2634   3.50    (#   2634:20  Double Ambig)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 228, 229, 228, 229,
 igr2= 231, 232, 231, 232,
 &end
#
#   18 VAL  HA           17 HIS  HB-         5.50    (#   2637:20  Unique         4.93, 5.60 A)
 &rst
  ixpk= 2637, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   80 MET  HN           18 VAL  MGY         5.50    (#   2638:20  Unique         3.69, 5.34 A)
 &rst
  ixpk= 2638, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   19 GLN  HG-          19 GLN  HB+         2.80    (#   2639:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 313, 314,
 igr2= 310, 311,
 &end
#
#   19 GLN  HB-          19 GLN  HG+         3.50    (#   2640:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   19 GLN  HB-          19 GLN  HG-         3.50    (#   2641:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 2641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#    0 AMB  20-2:2642    22 ILE  HB          2.80    (#   2642:20  Single Ambig)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1, 344, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 346, 347, 348, 353, 354, 355,
 &end
#
#    0 AMB  20-2:2643    22 ILE  HB          3.50    (#   2643:20  Single Ambig)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1, 344, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  83,  84,  85,  76,  77,  78, 386, 387, 388,
 &end
#
#   22 ILE  HA           22 ILE  QD1         5.50    (#   2644:20  Unique         2.63, 4.99 A)
 &rst
  ixpk= 2644, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 353, 354, 355,
 &end
#
#   13 TYR  HB+          23 ASN  HB+         5.50    (#   2645:20  Unique         2.53, 4.63 A)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2+         23 ASN  HB-         5.50    (#   2646:20  Unique         2.42, 3.50 A)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:2647    24 ILE  HA          4.50    (#   2647:20  Single Ambig)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 377, 399, 400,
 &end
#
#   24 ILE  HN           24 ILE  HB          3.50    (#   2648:20  Unique         2.70, 2.88 A)
 &rst
  ixpk= 2648, nxpk= 20, iat= 373, 377, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:2649    24 ILE  HG1-        5.50    (#   2649:20  Single Ambig)
 &rst
  ixpk= 2649, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 519, 520, 344,
 igr2= 383, 384,
 &end
#
#   27 LYS  HA           26 LEU  MDX         5.50    (#   2650:20  Unique         2.69, 5.80 A)
 &rst
  ixpk= 2650, nxpk= 20, iat= 427,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   28 GLU  HN           24 ILE  QG2         4.50    (#   2651:20  Unique         4.30, 5.52 A)
 &rst
  ixpk= 2651, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 379, 380, 381,
 &end
#
#   28 GLU  HB+          24 ILE  QG2         4.50    (#   2652:20  Unique         3.23, 4.73 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:2653    24 ILE  QG2         3.50    (#   2653:20  Single Ambig)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 383, 384, 107, 108, 109, 111, 112, 113,
 igr2= 379, 380, 381,
 &end
#
#   25 PRO  HB-          25 PRO  HA          4.50    (#   2654:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 399, 400,
 &end
#
#    0 AMB  20-2:2655     0 AMB  20-1:2655   4.50    (#   2655:20  Double Ambig)
 &rst
  ixpk= 2655, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 410, 411, 410, 411, 429, 430,
 igr2= 402, 856,
 &end
#
#   25 PRO  HB+          25 PRO  HA          4.50    (#   2656:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 2656, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 399, 400,
 &end
#
#    7 VAL  HB            0 AMB  20-1:2657   5.50    (#   2657:20  Single Ambig)
 &rst
  ixpk= 2657, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 402, 856,
 &end
#
#    7 VAL  HA           25 PRO  HA          4.50    (#   2658:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 2658, nxpk= 20, iat= 103, 402, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ASN  HD2+         25 PRO  HA          5.50    (#   2659:20  Unique         3.37, 4.28 A)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 368, 369,
 &end
#
#    8 ARG  HN           25 PRO  HA          5.50    (#   2660:20  Unique         3.01, 3.64 A)
 &rst
  ixpk= 2660, nxpk= 20, iat= 117, 402, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HN           25 PRO  HA          3.50    (#   2661:20  Unique         2.16, 2.23 A)
 &rst
  ixpk= 2661, nxpk= 20, iat= 406, 402, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 GLU  HN           25 PRO  HA          5.50    (#   2662:20  Unique         4.67, 4.83 A)
 &rst
  ixpk= 2662, nxpk= 20, iat= 447, 402, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 PRO  HD-          25 PRO  HA          5.50    (#   2664:20  Unique         3.54, 3.72 A)
 &rst
  ixpk= 2664, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 393, 394,
 &end
#
#   25 PRO  HD+          25 PRO  HA          5.50    (#   2665:20  Unique         3.54, 3.72 A)
 &rst
  ixpk= 2665, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 393, 394,
 &end
#
#    0 AMB  20-2:2666     0 AMB  20-1:2666   3.50    (#   2666:20  Double Ambig)
 &rst
  ixpk= 2666, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.85, r4= 7.60,
 igr1=1245,1246, 158, 159, 158, 159, 402,
 igr2=1248,1249, 396, 397, 396, 397, 396, 397,
 &end
#
#   25 PRO  HB-          25 PRO  HG-         2.80    (#   2667:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 399, 400,
 igr2= 396, 397,
 &end
#
#   24 ILE  HG1-         25 PRO  HD+         5.50    (#   2668:20  Unique         4.64, 5.23 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 383, 384,
 igr2= 393, 394,
 &end
#
#   24 ILE  HG1-         25 PRO  HD-         5.50    (#   2669:20  Unique         4.64, 5.23 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 383, 384,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:2670     0 AMB  20-1:2670   4.50    (#   2670:20  Double Ambig)
 &rst
  ixpk= 2670, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 451, 452, 399, 400, 454, 455,
 igr2= 393, 394, 393, 394, 393, 394,
 &end
#
#    0 AMB  20-2:2671    25 PRO  HD-         4.50    (#   2671:20  Single Ambig)
 &rst
  ixpk= 2671, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 451, 452, 399, 400, 454, 455,
 igr2= 393, 394,
 &end
#
#   25 PRO  HG-          25 PRO  HD+         3.50    (#   2672:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 2672, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 396, 397,
 igr2= 393, 394,
 &end
#
#   28 GLU  HN           25 PRO  HD+         5.50    (#   2673:20  Unique         4.28, 5.26 A)
 &rst
  ixpk= 2673, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 393, 394,
 &end
#
#   27 LYS  HN           26 LEU  HA          5.50    (#   2674:20  Unique         3.56, 3.58 A)
 &rst
  ixpk= 2674, nxpk= 20, iat= 425, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2675    26 LEU  HA          5.50    (#   2675:20  Single Ambig)
 &rst
  ixpk= 2675, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 447, 478,
 &end
#
#   26 LEU  HG           26 LEU  HA          4.50    (#   2676:20  Unique         3.10, 3.26 A)
 &rst
  ixpk= 2676, nxpk= 20, iat= 413, 408, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 LYS  HA           26 LEU  HB-         5.50    (#   2677:20  Unique         4.33, 5.07 A)
 &rst
  ixpk= 2677, nxpk= 20, iat= 427,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 410, 411,
 &end
#
#   26 LEU  HB-          26 LEU  HG          2.80    (#   2680:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 410, 411,
 &end
#
#   26 LEU  MDY          27 LYS  HA          5.50    (#   2681:20  Unique         2.69, 5.80 A)
 &rst
  ixpk= 2681, nxpk= 20, iat=  -1, 427, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:2682     0 AMB  20-1:2682   3.50    (#   2682:20  Double Ambig)
 &rst
  ixpk= 2682, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 485, 486, 432, 433, 432, 433,
 igr2= 482, 483, 429, 430,
 &end
#
#   28 GLU  HN           28 GLU  HB-         4.50    (#   2683:20  Unique         2.52, 3.19 A)
 &rst
  ixpk= 2683, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 451, 452,
 &end
#
#   29 VAL  HN           28 GLU  HB+         5.50    (#   2684:20  Unique         2.98, 3.79 A)
 &rst
  ixpk= 2684, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 451, 452,
 &end
#
#   32 ARG  HD-          28 GLU  HB+         4.50    (#   2685:20  Unique         2.12, 2.99 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 525, 526,
 igr2= 451, 452,
 &end
#
#   59 GLU  HN           58 LYS  HG+         5.50    (#   2687:20  Unique         4.34, 4.76 A)
 &rst
  ixpk= 2687, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:2689     0 AMB  20-1:2689   2.80    (#   2689:20  Double Ambig)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.20, r4= 7.95,
 igr1= 482, 483, 488, 489, 488, 489,1306,1307,1306,1307,
      1306,1307,1300,1301, 435, 436, 435, 436,
 igr2= 485, 486,1303,1304,1303,1304,1303,1304,1303,1304,
       432, 433, 432, 433, 432, 433,
 &end
#
#    0 AMB  20-2:2690     0 AMB  20-1:2690   3.50    (#   2690:20  Double Ambig)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 906, 907, 906, 907,
 &end
#
#   33 ILE  QG2          31 GLU  HA          5.50    (#   2691:20  Unique         3.48, 5.05 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 545, 546, 547,
 &end
#
#   32 ARG  HN           32 ARG  HB-         3.50    (#   2692:20  Unique         2.16, 2.96 A)
 &rst
  ixpk= 2692, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#   32 ARG  HD+          32 ARG  HG-         3.50    (#   2693:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 525, 526,
 igr2= 522, 523,
 &end
#
#   33 ILE  HN           32 ARG  HG+         5.50    (#   2694:20  Unique         4.15, 4.92 A)
 &rst
  ixpk= 2694, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   33 ILE  HN           32 ARG  HG-         5.50    (#   2695:20  Unique         4.15, 4.92 A)
 &rst
  ixpk= 2695, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#    0 AMB  20-2:2697     0 AMB  20-1:2697   5.50    (#   2697:20  Double Ambig)
 &rst
  ixpk= 2697, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 454, 455, 504, 505, 504, 505,
 igr2= 525, 526, 525, 526, 525, 526,
 &end
#
#   64 MET  HB-          33 ILE  QG2         5.50    (#   2698:20  Unique         4.01, 5.40 A)
 &rst
  ixpk= 2698, 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  20-2:2699     0 AMB  20-1:2699   3.50    (#   2699:20  Double Ambig)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1208,1209, 543,
 igr2=1211,1212,1213, 552, 553, 554,
 &end
#
#    0 AMB  20-2:2700    33 ILE  QD1         3.50    (#   2700:20  Single Ambig)
 &rst
  ixpk= 2700, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 598, 599, 600, 602, 603, 604, 549, 550,
 igr2= 552, 553, 554,
 &end
#
#   33 ILE  QG2          33 ILE  QD1         4.50    (#   2701:20  Unique         4.04, 4.82 A)
 &rst
  ixpk= 2701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 545, 546, 547,
 igr2= 552, 553, 554,
 &end
#
#   34 ALA  MB           34 ALA  HA          2.80    (#   2702:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 562, 563, 564,
 &end
#
#   35 THR  HB           35 THR  HA          2.80    (#   2703:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 2703, nxpk= 20, iat= 572, 570, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 THR  HA           35 THR  HB          2.80    (#   2704:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 2704, nxpk= 20, iat= 570, 572, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:2705     0 AMB  20-1:2705   3.50    (#   2705:20  Double Ambig)
 &rst
  ixpk= 2705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 427, 570,
 igr2= 429, 430, 615, 616,
 &end
#
#   38 PRO  HB-          38 PRO  HA          4.50    (#   2706:20  Unique         2.27, 2.55 A)
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 615, 616,
 &end
#
#   38 PRO  HA            0 AMB  20-1:2707   4.50    (#   2707:20  Single Ambig)
 &rst
  ixpk= 2707, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 612, 613, 612, 613,
 &end
#
#   38 PRO  HB-           0 AMB  20-1:2708   2.80    (#   2708:20  Single Ambig)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 615, 616,
 igr2= 612, 613, 612, 613,
 &end
#
#   40 LYS  HN           39 ASP  HA          2.80    (#   2709:20  Unique         2.15, 2.25 A)
 &rst
  ixpk= 2709, nxpk= 20, iat= 634, 624, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 TYR  HB-          75 LEU  HA          5.50    (#   2710:20  Unique         2.24, 3.19 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 754, 755,
 &end
#
#   40 LYS  HA            0 AMB  20-1:2711   4.50    (#   2711:20  Single Ambig)
 &rst
  ixpk= 2711, 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  20-2:2712     0 AMB  20-1:2712   2.80    (#   2712:20  Double Ambig)
 &rst
  ixpk= 2712, 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
#
#   41 ASN  HB+          41 ASN  HA          3.50    (#   2713:20  Unique         2.20, 2.72 A)
 &rst
  ixpk= 2713, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 660, 661,
 &end
#
#   44 VAL  HA           44 VAL  HB          4.50    (#   2715:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 2715, nxpk= 20, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 LYS  HN           45 LYS  HA          5.50    (#   2716:20  Unique         2.95, 2.98 A)
 &rst
  ixpk= 2716, nxpk= 20, iat= 712, 714, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  HN           45 LYS  HA          3.50    (#   2717:20  Unique         2.12, 2.16 A)
 &rst
  ixpk= 2717, nxpk= 20, iat= 734, 714, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:2718    45 LYS  HA          4.50    (#   2718:20  Single Ambig)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 719, 720, 716, 717,
 &end
#
#   45 LYS  HG+          45 LYS  HA          4.50    (#   2719:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 719, 720,
 &end
#
#    0 AMB  20-2:2720    45 LYS  HA          5.50    (#   2720:20  Single Ambig)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 9.47, r4=10.22,
 igr1= 702, 703, 704, 706, 707, 708, 740, 741, 742, 744,
       745, 746, 722, 723,1082,1083,1084,1086,1087,1088,
      1082,1083,1084,1086,1087,1088,
 &end
#
#   45 LYS  HB-          45 LYS  HA          4.50    (#   2721:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 716, 717,
 &end
#
#   70 GLU  HB-          45 LYS  HA          5.50    (#   2722:20  Unique         2.60, 3.85 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1096,1097,
 &end
#
#   45 LYS  HD+          45 LYS  HG+         2.80    (#   2723:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 722, 723,
 igr2= 719, 720,
 &end
#
#   45 LYS  HA           45 LYS  HG+         4.50    (#   2724:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 2724, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 719, 720,
 &end
#
#    0 AMB  20-2:2725    45 LYS  HD-         2.80    (#   2725:20  Single Ambig)
 &rst
  ixpk= 2725, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 719, 720, 716, 717,
 igr2= 722, 723,
 &end
#
#   46 VAL  MGX          46 VAL  HA          4.50    (#   2726:20  Unique         2.37, 3.49 A)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  MGY           0 AMB  20-1:2727   2.80    (#   2727:20  Single Ambig)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   75 LEU  HN           47 TYR  HB+         5.50    (#   2729:20  Unique         2.68, 4.14 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 754, 755,
 &end
#
#   78 ILE  HG1-         47 TYR  HB-         5.50    (#   2731:20  Unique         2.47, 3.87 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1208,1209,
 igr2= 754, 755,
 &end
#
#    8 ARG  HD-          48 CYS  HA          5.50    (#   2732:20  Unique         3.12, 4.49 A)
 &rst
  ixpk= 2732, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 127, 128,
 &end
#
#   48 CYS  HB-          48 CYS  HA          5.50    (#   2733:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 775, 776,
 &end
#
#   53 GLN  HB-          48 CYS  HA          5.50    (#   2734:20  Unique         4.42, 5.55 A)
 &rst
  ixpk= 2734, nxpk= 20, iat=  -1, 773, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 841, 842,
 &end
#
#   75 LEU  MDX          49 ASN  HA          5.50    (#   2735:20  Unique         3.51, 5.82 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1154,1155,1156,1158,1159,1160,
 &end
#
#   32 ARG  HA           32 ARG  HG-         5.50    (#   2736:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2736, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   52 ARG  HA           55 GLY  HA-         5.50    (#   2738:20  Unique         3.20, 4.31 A)
 &rst
  ixpk= 2738, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#   56 GLN  HG+          56 GLN  HA          3.50    (#   2739:20  Unique         2.38, 3.00 A)
 &rst
  ixpk= 2739, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 879, 880,
 &end
#
#    0 AMB  20-2:2740     0 AMB  20-1:2740   4.50    (#   2740:20  Double Ambig)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 236, 237, 253, 254,
 igr2= 228, 229, 228, 229,
 &end
#
#   56 GLN  HG+          56 GLN  HB+         2.80    (#   2741:20  Unique         2.28, 2.72 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 879, 880,
 igr2= 876, 877,
 &end
#
#   58 LYS  HG+          58 LYS  HB-         3.50    (#   2742:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2742, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 906, 907,
 igr2= 903, 904,
 &end
#
#   58 LYS  HD+          58 LYS  HB-         3.50    (#   2743:20  Unique         2.39, 3.19 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 909, 910,
 igr2= 903, 904,
 &end
#
#   71 ASN  HN           58 LYS  HD+         5.50    (#   2746:20  Unique         3.68, 5.04 A)
 &rst
  ixpk= 2746, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#   58 LYS  HN           58 LYS  HD+         5.50    (#   2747:20  Unique         4.46, 5.00 A)
 &rst
  ixpk= 2747, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:2748     0 AMB  20-1:2748   5.50    (#   2748:20  Double Ambig)
 &rst
  ixpk= 2748, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1094, 976,
 igr2= 909, 910, 909, 910,
 &end
#
#   59 GLU  HA           58 LYS  HD+         5.50    (#   2749:20  Unique         2.84, 3.78 A)
 &rst
  ixpk= 2749, nxpk= 20, iat= 923,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#   58 LYS  HA           58 LYS  HD+         5.50    (#   2750:20  Unique         3.53, 4.19 A)
 &rst
  ixpk= 2750, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:2751     0 AMB  20-1:2751   3.50    (#   2751:20  Double Ambig)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1= 912, 913, 491, 492, 491, 492, 491, 492,
 igr2= 909, 910, 488, 489, 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:2752     0 AMB  20-1:2752   4.50    (#   2752:20  Double Ambig)
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 928, 929,1111,1112,
 igr2= 909, 910, 909, 910,
 &end
#
#    0 AMB  20-2:2753     0 AMB  20-1:2753   3.50    (#   2753:20  Double Ambig)
 &rst
  ixpk= 2753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 903, 904, 925, 926,
 igr2= 909, 910, 909, 910,
 &end
#
#   58 LYS  HG+          58 LYS  HD-         2.80    (#   2754:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 2754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 906, 907,
 igr2= 909, 910,
 &end
#
#   58 LYS  HG+          58 LYS  HD+         2.80    (#   2755:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 906, 907,
 igr2= 909, 910,
 &end
#
#   58 LYS  HG-          58 LYS  HD-         3.50    (#   2756:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 906, 907,
 igr2= 909, 910,
 &end
#
#   58 LYS  HG-          58 LYS  HD+         4.50    (#   2757:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 906, 907,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:2758    58 LYS  HE-         5.50    (#   2758:20  Single Ambig)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 912, 913,
 &end
#
#   58 LYS  HG-          58 LYS  HE-         4.50    (#   2759:20  Unique         2.22, 2.81 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 906, 907,
 igr2= 912, 913,
 &end
#
#   58 LYS  HG-          58 LYS  HE+         3.50    (#   2760:20  Unique         2.22, 2.81 A)
 &rst
  ixpk= 2760, 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+         4.50    (#   2761:20  Unique         2.22, 2.81 A)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 906, 907,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:2762     0 AMB  20-1:2762   3.50    (#   2762:20  Double Ambig)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1= 906, 907,1171,1172,1171,1172,1171,1172,
 igr2= 912, 913,1177,1178,1177,1178,1177,1178,
 &end
#
#    0 AMB  20-2:2763     0 AMB  20-1:2763   3.50    (#   2763:20  Double Ambig)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1= 909, 910, 432, 433, 432, 433, 432, 433,
 igr2= 912, 913, 438, 439, 438, 439, 438, 439,
 &end
#
#   58 LYS  HD+          58 LYS  HE+         3.50    (#   2764:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 2764, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 909, 910,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:2765     0 AMB  20-1:2765   2.80    (#   2765:20  Double Ambig)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
 igr1= 435, 436, 435, 436, 435, 436, 909, 910,1174,1175,
      1174,1175,
 igr2= 438, 439, 438, 439, 438, 439, 912, 913,1177,1178,
      1177,1178,1177,1178,
 &end
#
#    0 AMB  20-2:2767     0 AMB  20-1:2767   5.50    (#   2767:20  Double Ambig)
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1164,1107,
 igr2=1177,1178,1177,1178, 912, 913,
 &end
#
#   59 GLU  HG+          59 GLU  HA          4.50    (#   2768:20  Unique         2.40, 3.07 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1, 923, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#   59 GLU  HG-          59 GLU  HA          3.50    (#   2769:20  Unique         2.40, 3.07 A)
 &rst
  ixpk= 2769, nxpk= 20, iat=  -1, 923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 928, 929,
 &end
#
#    0 AMB  20-2:2770    59 GLU  HA          2.80    (#   2770:20  Single Ambig)
 &rst
  ixpk= 2770, nxpk= 20, iat=  -1, 923, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 925, 926, 925, 926,
 &end
#
#   58 LYS  HG+          59 GLU  HA          5.50    (#   2771:20  Unique         4.50, 5.35 A)
 &rst
  ixpk= 2771, nxpk= 20, iat=  -1, 923, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 906, 907,
 &end
#
#    0 AMB  20-2:2772     0 AMB  20-1:2772   4.50    (#   2772:20  Double Ambig)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1007,1008,1007,1008, 491, 492, 491, 492, 491, 492,
      
 igr2= 989, 990, 989, 990, 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:2773     0 AMB  20-1:2773   5.50    (#   2773:20  Double Ambig)
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 912, 913, 912, 913,
 igr2= 925, 926, 925, 926,
 &end
#
#   61 LEU  MDY          61 LEU  HA          3.50    (#   2775:20  Unique         2.15, 3.75 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HB+          61 LEU  HA          3.50    (#   2776:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 2776, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 959, 960,
 &end
#
#   60 ILE  HN           61 LEU  HA          5.50    (#   2778:20  Unique         5.30, 5.39 A)
 &rst
  ixpk= 2778, nxpk= 20, iat= 936, 957, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 SER  HN           61 LEU  HA          5.50    (#   2779:20  Unique         3.51, 3.55 A)
 &rst
  ixpk= 2779, nxpk= 20, iat= 974, 957, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 SER  HA           62 SER  HB+         4.50    (#   2780:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 2780, nxpk= 20, iat= 976,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 978, 979,
 &end
#
#   62 SER  HA            0 AMB  20-1:2781   4.50    (#   2781:20  Single Ambig)
 &rst
  ixpk= 2781, nxpk= 20, iat= 976,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 978, 979, 978, 979,
 &end
#
#    0 AMB  20-2:2784     0 AMB  20-1:2784   5.50    (#   2784:20  Double Ambig)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 989, 990, 989, 990,
 igr2= 978, 979, 978, 979,
 &end
#
#    0 AMB  20-2:2785    62 SER  HB-         5.50    (#   2785:20  Single Ambig)
 &rst
  ixpk= 2785, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 925, 926, 925, 926, 989, 990, 989, 990,
 igr2= 978, 979,
 &end
#
#   63 GLU  HG-          63 GLU  HA          3.50    (#   2786:20  Unique         2.40, 2.85 A)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 992, 993,
 &end
#
#    0 AMB  20-2:2787     0 AMB  20-1:2787   2.80    (#   2787:20  Double Ambig)
 &rst
  ixpk= 2787, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1= 992, 993, 992, 993, 928, 929, 928, 929,
 igr2= 989, 990, 989, 990, 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:2788     0 AMB  20-1:2788   2.80    (#   2788:20  Double Ambig)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1= 992, 993, 928, 929,
 igr2= 989, 990, 989, 990, 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:2789     0 AMB  20-1:2789   2.80    (#   2789:20  Double Ambig)
 &rst
  ixpk= 2789, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 121, 122, 190, 191, 190, 191,1011,1012,1013,
 igr2= 193, 194,1004,1005,
 &end
#
#   61 LEU  HA           64 MET  HB-         4.50    (#   2790:20  Unique         2.09, 3.00 A)
 &rst
  ixpk= 2790, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1004,1005,
 &end
#
#    0 AMB  20-2:2791     0 AMB  20-1:2791   3.50    (#   2791:20  Double Ambig)
 &rst
  ixpk= 2791, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 839,1002,
 igr2= 879, 880,1004,1005,
 &end
#
#   56 GLN  HE2-         56 GLN  HG-         5.50    (#   2792:20  Unique         2.17, 3.39 A)
 &rst
  ixpk= 2792, 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  20-2:2793    67 THR  MG2         3.50    (#   2793:20  Single Ambig)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1047,1049,
 igr2=1051,1052,1053,
 &end
#
#   70 GLU  HA           70 GLU  HB+         3.50    (#   2794:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2794, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1096,1097,
 &end
#
#   71 ASN  HN           70 GLU  HG+         5.50    (#   2795:20  Unique         2.55, 3.68 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:2796    70 GLU  HG-         5.50    (#   2796:20  Single Ambig)
 &rst
  ixpk= 2796, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1078,1061,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:2797    70 GLU  HG-         5.50    (#   2797:20  Single Ambig)
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1109, 714,
 igr2=1099,1100,
 &end
#
#   70 GLU  HB-          70 GLU  HG-         3.50    (#   2798:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1096,1097,
 igr2=1099,1100,
 &end
#
#   45 LYS  HG+          70 GLU  HG+         5.50    (#   2799:20  Unique         3.71, 5.23 A)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 719, 720,
 igr2=1099,1100,
 &end
#
#   45 LYS  HG+          70 GLU  HG-         5.50    (#   2800:20  Unique         3.71, 5.23 A)
 &rst
  ixpk= 2800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 719, 720,
 igr2=1099,1100,
 &end
#
#   70 GLU  HB+          70 GLU  HG-         2.80    (#   2801:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 2801, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1096,1097,
 igr2=1099,1100,
 &end
#
#   72 ALA  HN           71 ASN  HB-         5.50    (#   2802:20  Unique         4.25, 4.40 A)
 &rst
  ixpk= 2802, nxpk= 20, iat=1121,  -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    (#   2803:20  Unique         4.40, 4.70 A)
 &rst
  ixpk= 2803, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1111,1112,
 &end
#
#    0 AMB  20-2:2804    71 ASN  HB-         5.50    (#   2804:20  Single Ambig)
 &rst
  ixpk= 2804, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 909, 910,1096,1097,
 igr2=1111,1112,
 &end
#
#   75 LEU  HB-          75 LEU  HA          3.50    (#   2805:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 2805, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#    0 AMB  20-2:2806     0 AMB  20-1:2806   3.50    (#   2806:20  Double Ambig)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 638, 639,1149,1150,
 igr2= 636,1147,
 &end
#
#   76 LYS  HB-           0 AMB  20-1:2809   3.50    (#   2809:20  Single Ambig)
 &rst
  ixpk= 2809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1168,1169,
 igr2=1171,1172,1171,1172,
 &end
#
#   76 LYS  HN            0 AMB  20-1:2810   5.50    (#   2810:20  Single Ambig)
 &rst
  ixpk= 2810, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1174,1175,1174,1175,
 &end
#
#    0 AMB  20-2:2811    33 ILE  HA          4.50    (#   2811:20  Single Ambig)
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 586, 587, 588, 549, 550,
 &end
#
#   79 ALA  MB           78 ILE  QG2         5.50    (#   2812:20  Unique         4.37, 6.23 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1221,1222,1223,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:2815     0 AMB  20-1:2815   5.50    (#   2815:20  Double Ambig)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1217, 306,
 igr2=1234,1235,1234,1235,
 &end
#
#   81 PRO  HD+          80 MET  HG+         5.50    (#   2816:20  Unique         3.39, 4.68 A)
 &rst
  ixpk= 2816, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2=1234,1235,
 &end
#
#   80 MET  HN           81 PRO  HD+         5.50    (#   2817:20  Unique         4.62, 4.95 A)
 &rst
  ixpk= 2817, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#   83 VAL  MGX          83 VAL  HA          4.50    (#   2819:20  Unique         2.38, 3.50 A)
 &rst
  ixpk= 2819, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  MGX          83 VAL  HB          3.50    (#   2820:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 2820, 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
#
#    0 AMB  20-2:2823     0 AMB  20-1:2823   3.50    (#   2823:20  Double Ambig)
 &rst
  ixpk= 2823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
 igr1=1271,1272,1309,1310,1309,1310,1309,1310, 491, 492,
       491, 492,
 igr2=1265,1266,1303,1304,1303,1304,1303,1304, 485, 486,
      
 &end
#
#    0 AMB  20-2:2824     0 AMB  20-1:2824   4.50    (#   2824:20  Double Ambig)
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 262, 263, 262, 263,
 igr2=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:2825     0 AMB  20-1:2825   3.50    (#   2825:20  Double Ambig)
 &rst
  ixpk= 2825, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
 igr1=1309,1310,1309,1310,1309,1310, 438, 439, 438, 439,
       438, 439,
 igr2=1306,1307,1306,1307,1306,1307, 435, 436, 435, 436,
       435, 436,
 &end
#
#    0 AMB  20-2:2826     0 AMB  20-1:2826   2.80    (#   2826:20  Double Ambig)
 &rst
  ixpk= 2826, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1=1300,1301,1300,1301, 429, 430, 429, 430,
 igr2=1306,1307,1306,1307, 435, 436, 435, 436,
 &end
#
#    0 AMB  20-2:2827     0 AMB  20-1:2827   2.80    (#   2827:20  Double Ambig)
 &rst
  ixpk= 2827, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1=1303,1304,1303,1304,1303,1304, 432, 433, 432, 433,
       432, 433,
 igr2=1306,1307,1306,1307,1306,1307, 435, 436, 435, 436,
       435, 436,
 &end
#
#    0 AMB  20-2:2828     0 AMB  20-1:2828   2.80    (#   2828:20  Double Ambig)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1= 482, 483,1300,1301,1306,1307,1306,1307,1306,1307,
       488, 489, 488, 489, 488, 489,
 igr2= 491, 492, 491, 492,1309,1310,1309,1310,1309,1310,
      1309,1310, 491, 492, 491, 492,
 &end
#
#   83 VAL  MGY          85 GLY  HA+         5.50    (#   2829:20  Unique         4.79, 7.96 A)
 &rst
  ixpk= 2829, 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=1320,1321,
 &end
#
#    0 AMB  20-2:2831    30 LYS  HG-         4.50    (#   2831:20  Single Ambig)
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 491, 492, 491, 492,1007,1008,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:2832    30 LYS  HG-         4.50    (#   2832:20  Single Ambig)
 &rst
  ixpk= 2832, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1=1011,1012,1013, 507, 508, 507, 508,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:2833    30 LYS  HG-         5.50    (#   2833:20  Single Ambig)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 504, 505, 504, 505,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:2834     0 AMB  20-1:2834   2.80    (#   2834:20  Double Ambig)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 482, 483, 488, 489, 488, 489,
 igr2= 485, 486, 485, 486, 485, 486,
 &end
#
#    0 AMB  20-2:2835    30 LYS  HG-         2.80    (#   2835:20  Single Ambig)
 &rst
  ixpk= 2835, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 482, 483, 488, 489, 488, 489,
 igr2= 485, 486,
 &end
#
#   30 LYS  HB+          30 LYS  HG+         2.80    (#   2836:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 482, 483,
 igr2= 485, 486,
 &end
#
#   30 LYS  HB+          30 LYS  HG-         2.80    (#   2837:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2837, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 482, 483,
 igr2= 485, 486,
 &end
#
#   54 SER  HB-          54 SER  HA          4.50    (#   2839:20  Unique         2.20, 2.59 A)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#    0 AMB  20-2:2840     0 AMB  20-1:2840   5.50    (#   2840:20  Double Ambig)
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 750, 734,
 igr2= 858, 859, 858, 859,
 &end
#
#   55 GLY  HN           54 SER  HB+         5.50    (#   2841:20  Unique         2.31, 3.56 A)
 &rst
  ixpk= 2841, nxpk= 20, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#   46 VAL  HB           54 SER  HB+         5.50    (#   2842:20  Unique         2.33, 3.68 A)
 &rst
  ixpk= 2842, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#   72 ALA  MB           73 GLY  HA-         5.50    (#   2843:20  Unique         4.22, 5.41 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1125,1126,1127,
 igr2=1133,1134,
 &end
#
#   72 ALA  MB           73 GLY  HA+         5.50    (#   2844:20  Unique         4.22, 5.41 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1125,1126,1127,
 igr2=1133,1134,
 &end
#
#   78 ILE  QD1          73 GLY  HA-         5.50    (#   2845:20  Unique         2.73, 5.40 A)
 &rst
  ixpk= 2845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1211,1212,1213,
 igr2=1133,1134,
 &end
#
#   82 LYS  HN           82 LYS  HD+         5.50    (#   2847:20  Unique         2.76, 4.75 A)
 &rst
  ixpk= 2847, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1268,1269,
 &end
#
#   18 VAL  HA           19 GLN  HN          2.80    (#      1:10  Unique         2.06, 2.16 A)
 &rst
  ixpk= 1, nxpk= 10, iat= 292, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   19 GLN  HB-          19 GLN  HN          3.50    (#      2:10  Unique         2.22, 2.55 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#   19 GLN  HA           19 GLN  HN          4.50    (#      3:10  Unique         2.76, 2.84 A)
 &rst
  ixpk= 3, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 GLN  HB+          19 GLN  HN          3.50    (#      4:10  Unique         2.22, 2.55 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
#
#   18 VAL  MGX          19 GLN  HN          4.50    (#      5:10  Unique         2.82, 4.25 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#   73 GLY  HN           72 ALA  HN          4.50    (#      6:10  Unique         2.38, 2.63 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, 2.19 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         2.37, 2.87 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         2.85, 2.88 A)
 &rst
  ixpk= 9, nxpk= 10, iat=1123,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 VAL  HB           44 VAL  HN          3.50    (#     14:10  Unique         2.20, 2.51 A)
 &rst
  ixpk= 14, nxpk= 10, iat= 700, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 VAL  HA           44 VAL  HN          4.50    (#     15:10  Unique         2.33, 2.68 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    (#     17:10  Unique         2.90, 2.97 A)
 &rst
  ixpk= 17, nxpk= 10, iat= 698, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 THR  MG2          44 VAL  HN          4.50    (#     18:10  Unique         2.59, 3.73 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          4.50    (#     19:10  Single Ambig)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    4 TRP  HA           45 LYS  HN          4.50    (#     20:10  Unique         2.68, 3.05 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  48, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 LYS  HA           45 LYS  HN          4.50    (#     21:10  Unique         2.95, 2.98 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 714, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 VAL  HN           45 LYS  HN          4.50    (#     22:10  Unique         3.87, 4.28 A)
 &rst
  ixpk= 22, nxpk= 10, iat= 696, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 VAL  HA           45 LYS  HN          2.80    (#     23:10  Unique         2.11, 2.16 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 698, 712, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:24      45 LYS  HN          3.50    (#     24:10  Single Ambig)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 702, 703, 704, 706, 707, 708, 719, 720,
 &end
#
#    0 AMB  10-2:25      45 LYS  HN          3.50    (#     25:10  Single Ambig)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 716, 717, 719, 720,
 &end
#
#    6 ASP  HB+           6 ASP  HN          4.50    (#     26:10  Unique         2.18, 2.67 A)
 &rst
  ixpk= 26, 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    (#     28:10  Unique         2.18, 2.67 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  93,  94,
 &end
#
#    5 ILE  QG2           6 ASP  HN          4.50    (#     29:10  Unique         2.60, 3.54 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  76,  77,  78,
 &end
#
#   70 GLU  HB-          70 GLU  HN          4.50    (#     30:10  Unique         2.62, 3.07 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1096,1097,
 &end
#
#   69 VAL  HA           70 GLU  HN          2.80    (#     31:10  Unique         2.20, 2.27 A)
 &rst
  ixpk= 31, nxpk= 10, iat=1078,1092, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 LYS  HA           70 GLU  HN          4.50    (#     32:10  Unique         2.74, 2.94 A)
 &rst
  ixpk= 32, nxpk= 10, iat= 714,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 GLU  HA           70 GLU  HN          4.50    (#     33:10  Unique         2.94, 2.96 A)
 &rst
  ixpk= 33, nxpk= 10, iat=1094,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:34      70 GLU  HN          4.50    (#     34:10  Single Ambig)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1096,1097,1080,
 &end
#
#    0 AMB  10-2:35      70 GLU  HN          3.50    (#     35:10  Single Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,1092, 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
#
#   68 HIS  HA           68 HIS  HN          4.50    (#     36:10  Unique         2.21, 2.90 A)
 &rst
  ixpk= 36, nxpk= 10, iat=1061,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 HIS  HB-          68 HIS  HN          4.50    (#     37:10  Unique         2.62, 3.26 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#    0 AMB  10-2:38      68 HIS  HN          4.50    (#     38:10  Single Ambig)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1,1059, 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
#
#   67 THR  HN           68 HIS  HN          4.50    (#     39:10  Unique         2.00, 2.67 A)
 &rst
  ixpk= 39, nxpk= 10, iat=1045,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 ALA  HA            4 TRP  HN          4.50    (#     41:10  Unique         3.64, 4.22 A)
 &rst
  ixpk= 41, nxpk= 10, iat= 332,  46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 HIS  HA            4 TRP  HN          2.80    (#     42:10  Unique         2.12, 2.24 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         2.41, 3.13 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         2.55, 3.64 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         2.91, 2.96 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  48,  46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ASN  HD2-         24 ILE  HN          4.50    (#     46:10  Unique         3.32, 3.86 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 368, 369,
 &end
#
#   24 ILE  HB           24 ILE  HN          4.50    (#     47:10  Unique         2.70, 2.88 A)
 &rst
  ixpk= 47, nxpk= 10, iat= 377, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ASN  HD2-         24 ILE  HN          4.50    (#     48:10  Unique         3.32, 3.86 A)
 &rst
  ixpk= 48, 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    (#     49:10  Unique         2.10, 2.13 A)
 &rst
  ixpk= 49, nxpk= 10, iat= 361, 373, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:50      24 ILE  HN          4.50    (#     50:10  Single Ambig)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=  76,  77,  78, 386, 387, 388, 379, 380, 381,
 &end
#
#   83 VAL  HB           84 LYS  HN          4.50    (#     51:10  Unique         2.58, 3.24 A)
 &rst
  ixpk= 51, nxpk= 10, iat=1284,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 VAL  MGX          84 LYS  HN          4.50    (#     52:10  Unique         2.35, 4.53 A)
 &rst
  ixpk= 52, 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  HA           84 LYS  HN          2.80    (#     53:10  Unique         2.18, 2.32 A)
 &rst
  ixpk= 53, 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    (#     54:10  Unique         2.33, 3.07 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1300,1301,
 &end
#
#    0 AMB  10-2:55      84 LYS  HN          3.50    (#     55:10  Single Ambig)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1306,1307,1306,1307,1300,1301,
 &end
#
#   84 LYS  HA           84 LYS  HN          4.50    (#     56:10  Unique         2.83, 2.90 A)
 &rst
  ixpk= 56, nxpk= 10, iat=1298,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 LYS  HA           84 LYS  HN          4.50    (#     57:10  Unique         2.83, 2.90 A)
 &rst
  ixpk= 57, nxpk= 10, iat=1298,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ASN  HA           23 ASN  HN          4.50    (#     58:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 58, nxpk= 10, iat= 361, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ILE  QG2          23 ASN  HN          4.50    (#     59:10  Unique         2.87, 4.54 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 346, 347, 348,
 &end
#
#   22 ILE  HA           23 ASN  HN          3.50    (#     60:10  Unique         2.16, 2.22 A)
 &rst
  ixpk= 60, 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    (#     61:10  Unique         2.37, 2.61 A)
 &rst
  ixpk= 61, 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    (#     62:10  Unique         3.08, 3.45 A)
 &rst
  ixpk= 62, nxpk= 10, iat= 344, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ASN  HB-          23 ASN  HN          3.50    (#     63:10  Unique         2.37, 2.61 A)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 363, 364,
 &end
#
#   37 VAL  HN           36 ALA  HN          3.50    (#     64:10  Unique         1.85, 2.46 A)
 &rst
  ixpk= 64, nxpk= 10, iat= 592, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ALA  HA           36 ALA  HN          4.50    (#     65:10  Unique         2.87, 2.91 A)
 &rst
  ixpk= 65, nxpk= 10, iat= 584, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:66      36 ALA  HN          4.50    (#     66:10  Single Ambig)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 570, 594,
 &end
#
#   36 ALA  MB           36 ALA  HN          2.80    (#     67:10  Unique         2.44, 2.95 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 586, 587, 588,
 &end
#
#   35 THR  HN           36 ALA  HN          3.50    (#     68:10  Unique         1.97, 2.35 A)
 &rst
  ixpk= 68, nxpk= 10, iat= 568, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 THR  HB           36 ALA  HN          4.50    (#     69:10  Unique         2.84, 3.69 A)
 &rst
  ixpk= 69, nxpk= 10, iat= 572, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:70       5 ILE  HN          3.50    (#     70:10  Single Ambig)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  74, 334, 335, 336,
 &end
#
#   54 SER  HN           53 GLN  HN          4.50    (#     71:10  Unique         2.46, 2.69 A)
 &rst
  ixpk= 71, nxpk= 10, iat= 854, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASN  HN           40 LYS  HN          4.50    (#     72:10  Unique         2.12, 2.91 A)
 &rst
  ixpk= 72, nxpk= 10, iat= 656, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 ASP  HA           40 LYS  HN          2.80    (#     73:10  Unique         2.15, 2.25 A)
 &rst
  ixpk= 73, nxpk= 10, iat= 624, 634, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   40 LYS  HA           40 LYS  HN          4.50    (#     74:10  Unique         2.77, 2.82 A)
 &rst
  ixpk= 74, 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    (#     75:10  Unique         2.33, 3.06 A)
 &rst
  ixpk= 75, 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    (#     76:10  Unique         2.33, 3.06 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#    0 AMB  10-2:77      40 LYS  HN          3.50    (#     77:10  Single Ambig)
 &rst
  ixpk= 77, 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    (#     78:10  Unique         2.06, 2.84 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 641, 642,
 &end
#
#    0 AMB  10-2:80       5 ILE  HN          4.50    (#     80:10  Single Ambig)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  80,  81,  80,  81,
 &end
#
#   46 VAL  HA            5 ILE  HN          4.50    (#     81:10  Unique         2.73, 2.97 A)
 &rst
  ixpk= 81, 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    (#     82:10  Unique         2.18, 2.25 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  48,  70, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 GLN  HG+          53 GLN  HN          4.50    (#     84:10  Unique         4.56, 5.40 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 879, 880,
 &end
#
#    0 AMB  10-2:85       0 AMB  10-1:85     3.50    (#     85:10  Double Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 974, 425,
 igr2= 985, 406,
 &end
#
#   64 MET  HN           63 GLU  HN          3.50    (#     86:10  Unique         2.62, 2.66 A)
 &rst
  ixpk= 86, nxpk= 10, iat=1000, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HN           63 GLU  HN          5.50    (#     87:10  Unique         4.87, 5.25 A)
 &rst
  ixpk= 87, nxpk= 10, iat=1024, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:88      63 GLU  HN          3.50    (#     88:10  Single Ambig)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 987, 923,
 &end
#
#   63 GLU  HG+          63 GLU  HN          4.50    (#     89:10  Unique         2.46, 4.05 A)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 992, 993,
 &end
#
#    0 AMB  10-2:90       0 AMB  10-1:90     4.50    (#     90:10  Double Ambig)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 992, 993, 105,
 igr2= 985, 406,
 &end
#
#    0 AMB  10-2:91      63 GLU  HN          2.80    (#     91:10  Single Ambig)
 &rst
  ixpk= 91, 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          4.50    (#     92:10  Unique         1.96, 2.85 A)
 &rst
  ixpk= 92, nxpk= 10, iat=1164,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 ASN  HA           75 LEU  HN          4.50    (#     93:10  Unique         2.75, 3.40 A)
 &rst
  ixpk= 93, nxpk= 10, iat= 784,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 GLY  HA+          75 LEU  HN          2.80    (#     94:10  Unique         2.17, 2.63 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1140,1141,
 &end
#
#   75 LEU  HA           75 LEU  HN          3.50    (#     95:10  Unique         2.22, 2.77 A)
 &rst
  ixpk= 95, nxpk= 10, iat=1147,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 GLY  HA-          75 LEU  HN          3.50    (#     96:10  Unique         2.17, 2.63 A)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1140,1141,
 &end
#
#   75 LEU  HB+          75 LEU  HN          3.50    (#     97:10  Unique         2.26, 2.52 A)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#   75 LEU  HB-          75 LEU  HN          3.50    (#     98:10  Unique         2.26, 2.52 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#    0 AMB  10-2:99       0 AMB  10-1:99     4.50    (#     99:10  Double Ambig)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 415, 416, 417, 419, 420, 421, 468, 469, 470, 472,
       473, 474, 942, 943, 944,1082,1083,1084,1086,1087,
      1088,1082,1083,1084,1086,1087,1088,
 igr2= 406, 985,
 &end
#
#    7 VAL  HA           26 LEU  HN          4.50    (#    100:10  Unique         3.43, 3.58 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 103, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HA           26 LEU  HN          3.50    (#    101:10  Unique         2.62, 2.69 A)
 &rst
  ixpk= 101, 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    (#    102:10  Unique         2.16, 2.23 A)
 &rst
  ixpk= 102, nxpk= 10, iat= 402, 406, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:103      0 AMB  10-1:103    3.50    (#    103:10  Double Ambig)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 989, 990, 989, 990, 105,
 igr2= 985, 406,
 &end
#
#   26 LEU  HB+          26 LEU  HN          3.50    (#    104:10  Unique         2.25, 2.43 A)
 &rst
  ixpk= 104, 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    (#    105:10  Unique         2.25, 2.43 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#   35 THR  HN           34 ALA  HN          3.50    (#    106:10  Unique         2.71, 2.80 A)
 &rst
  ixpk= 106, nxpk= 10, iat= 568, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 ILE  QG2          34 ALA  HN          3.50    (#    107:10  Unique         2.21, 3.16 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 545, 546, 547,
 &end
#
#   33 ILE  HN           34 ALA  HN          4.50    (#    108:10  Unique         2.75, 2.83 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 539, 558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ALA  HA           34 ALA  HN          3.50    (#    109:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 109, nxpk= 10, iat= 560, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:110     34 ALA  HN          4.50    (#    110:10  Single Ambig)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 541, 480,
 &end
#
#   34 ALA  MB           34 ALA  HN          2.80    (#    111:10  Unique         2.44, 2.87 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 562, 563, 564,
 &end
#
#   78 ILE  HG1+         78 ILE  HN          4.50    (#    112:10  Unique         1.78, 3.27 A)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1208,1209,
 &end
#
#   77 ASP  HN           78 ILE  HN          3.50    (#    113:10  Unique         2.13, 2.53 A)
 &rst
  ixpk= 113, 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    (#    114:10  Unique         2.72, 2.81 A)
 &rst
  ixpk= 114, 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    (#    115:10  Unique         1.78, 3.27 A)
 &rst
  ixpk= 115, 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          3.50    (#    116:10  Unique         2.17, 2.57 A)
 &rst
  ixpk= 116, nxpk= 10, iat=1202,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HN            8 ARG  HN          4.50    (#    117:10  Unique         2.40, 2.72 A)
 &rst
  ixpk= 117, nxpk= 10, iat= 101, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ARG  HB+           8 ARG  HN          4.50    (#    118:10  Unique         2.44, 2.86 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#    0 AMB  10-2:119      8 ARG  HN          4.50    (#    119:10  Single Ambig)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125, 124, 125,
 &end
#
#   20 GLY  HN           21 ALA  HN          4.50    (#    120:10  Unique         1.95, 2.52 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 323, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 GLN  HE2+         21 ALA  HN          4.50    (#    121:10  Unique         4.08, 5.28 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 318, 319,
 &end
#
#   21 ALA  HA           21 ALA  HN          4.50    (#    122:10  Unique         2.85, 2.93 A)
 &rst
  ixpk= 122, nxpk= 10, iat= 332, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 PRO  HB+          82 LYS  HN          4.50    (#    123:10  Unique         2.83, 3.32 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1251,1252,
 &end
#
#   82 LYS  HB+          82 LYS  HN          4.50    (#    124:10  Unique         2.50, 3.20 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1262,1263,
 &end
#
#   81 PRO  HA           82 LYS  HN          2.80    (#    125:10  Unique         2.26, 2.37 A)
 &rst
  ixpk= 125, nxpk= 10, iat=1254,1258, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:126     82 LYS  HN          3.50    (#    126:10  Single Ambig)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1262,1263,1268,1269,
 &end
#
#   82 LYS  HA           82 LYS  HN          4.50    (#    127:10  Unique         2.94, 2.96 A)
 &rst
  ixpk= 127, nxpk= 10, iat=1260,1258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ARG  HA            8 ARG  HN          4.50    (#    128:10  Unique         2.92, 2.98 A)
 &rst
  ixpk= 128, nxpk= 10, iat= 119, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ARG  HB-           8 ARG  HN          4.50    (#    129:10  Unique         2.44, 2.86 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#   20 GLY  HA-          21 ALA  HN          5.50    (#    130:10  Unique         2.72, 3.32 A)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 325, 326,
 &end
#
#   21 ALA  MB           21 ALA  HN          2.80    (#    131:10  Unique         2.46, 2.97 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 334, 335, 336,
 &end
#
#   57 ALA  HN           56 GLN  HN          3.50    (#    132:10  Unique         2.68, 2.83 A)
 &rst
  ixpk= 132, nxpk= 10, iat= 889, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 GLY  HN           56 GLN  HN          4.50    (#    133:10  Unique         2.46, 2.74 A)
 &rst
  ixpk= 133, nxpk= 10, iat= 865, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 GLN  HA           56 GLN  HN          4.50    (#    134:10  Unique         2.54, 3.14 A)
 &rst
  ixpk= 134, 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    (#    135:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 135, 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    (#    136:10  Unique         2.75, 3.24 A)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 867, 868,
 &end
#
#   56 GLN  HG+          56 GLN  HN          3.50    (#    137:10  Unique         2.13, 2.80 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 879, 880,
 &end
#
#    0 AMB  10-2:138     56 GLN  HN          2.80    (#    138:10  Single Ambig)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 879, 880, 876, 877,
 &end
#
#   56 GLN  HB-          56 GLN  HN          4.50    (#    139:10  Unique         2.47, 3.09 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 876, 877,
 &end
#
#   22 ILE  HG1+         22 ILE  HN          4.50    (#    140:10  Unique         1.90, 2.70 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351,
 &end
#
#   21 ALA  HA           22 ILE  HN          2.80    (#    141:10  Unique         2.09, 2.26 A)
 &rst
  ixpk= 141, nxpk= 10, iat= 332, 340, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   22 ILE  HA           22 ILE  HN          4.50    (#    142:10  Unique         2.79, 2.95 A)
 &rst
  ixpk= 142, nxpk= 10, iat= 342, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:143     22 ILE  HN          3.50    (#    143:10  Single Ambig)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 334, 335, 336, 344,
 &end
#
#   56 GLN  HN           57 ALA  HN          3.50    (#    144:10  Unique         2.68, 2.83 A)
 &rst
  ixpk= 144, nxpk= 10, iat= 872, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 GLN  HB-          57 ALA  HN          4.50    (#    145:10  Unique         2.36, 3.01 A)
 &rst
  ixpk= 145, 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    (#    146:10  Unique         2.49, 2.92 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 893, 894, 895,
 &end
#
#   37 VAL  MGY          42 ASP  HN          4.50    (#    147:10  Unique         3.85, 6.04 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   41 ASN  HN           42 ASP  HN          3.50    (#    148:10  Unique         1.96, 2.43 A)
 &rst
  ixpk= 148, 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    (#    149:10  Unique         3.37, 3.48 A)
 &rst
  ixpk= 149, nxpk= 10, iat= 658, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ASP  HA           42 ASP  HN          4.50    (#    150:10  Unique         2.80, 2.89 A)
 &rst
  ixpk= 150, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ASP  HB+          42 ASP  HN          2.80    (#    151:10  Unique         2.32, 2.54 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 674, 675,
 &end
#
#   42 ASP  HB-          42 ASP  HN          3.50    (#    152:10  Unique         2.32, 2.54 A)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   57 ALA  HA           57 ALA  HN          3.50    (#    153:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 891, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 SER  HA           57 ALA  HN          4.50    (#    154:10  Unique         2.87, 3.37 A)
 &rst
  ixpk= 154, nxpk= 10, iat= 856, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 GLN  HB+          57 ALA  HN          3.50    (#    155:10  Unique         2.36, 3.01 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 876, 877,
 &end
#
#    0 AMB  10-2:156     57 ALA  HN          4.50    (#    156:10  Single Ambig)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 415, 416, 417, 419, 420, 421, 949, 950, 951,
 &end
#
#   32 ARG  HN           33 ILE  HN          3.50    (#    157:10  Unique         1.95, 2.54 A)
 &rst
  ixpk= 157, nxpk= 10, iat= 515, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 HIS  HA           69 VAL  HN          2.80    (#    158:10  Unique         2.15, 2.52 A)
 &rst
  ixpk= 158, 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    (#    159:10  Unique         2.58, 2.88 A)
 &rst
  ixpk= 159, nxpk= 10, iat=1080,1076, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:160     69 VAL  HN          3.50    (#    160:10  Single Ambig)
 &rst
  ixpk= 160, 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
#
#    0 AMB  10-2:161     33 ILE  HN          3.50    (#    161:10  Single Ambig)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 541, 480,
 &end
#
#   29 VAL  HA           33 ILE  HN          4.50    (#    162:10  Unique         2.93, 3.28 A)
 &rst
  ixpk= 162, nxpk= 10, iat= 464, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 ILE  HB           33 ILE  HN          2.80    (#    163:10  Unique         2.33, 2.42 A)
 &rst
  ixpk= 163, nxpk= 10, iat= 543, 539, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 ILE  QG2          33 ILE  HN          2.80    (#    164:10  Unique         1.97, 2.99 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 545, 546, 547,
 &end
#
#   32 ARG  HB-          33 ILE  HN          5.50    (#    165:10  Unique         2.63, 3.32 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 519, 520,
 &end
#
#    0 AMB  10-2:167     33 ILE  HN          4.50    (#    167:10  Single Ambig)
 &rst
  ixpk= 167, 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
#
#    2 GLU  HA            3 HIS  HN          2.80    (#    168:10  Unique         2.24, 2.37 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  16,  29, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 HIS  HA            3 HIS  HN          4.50    (#    170:10  Unique         2.91, 2.96 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  31,  29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 VAL  HA            3 HIS  HN          4.50    (#    171:10  Unique         2.55, 2.98 A)
 &rst
  ixpk= 171, nxpk= 10, iat= 698,  29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 HIS  HB-           3 HIS  HN          4.50    (#    172:10  Unique         2.28, 3.17 A)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#    0 AMB  10-2:173      3 HIS  HN          4.50    (#    173:10  Single Ambig)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  18,  19,  18,  19,
 &end
#
#   17 HIS  HA           18 VAL  HN          3.50    (#    174:10  Unique         2.14, 2.29 A)
 &rst
  ixpk= 174, 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    (#    175:10  Unique         2.51, 3.44 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 277, 278,
 &end
#
#   17 HIS  HB-          18 VAL  HN          3.50    (#    176:10  Unique         2.51, 3.44 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 277, 278,
 &end
#
#    0 AMB  10-2:177     18 VAL  HN          4.50    (#    177:10  Single Ambig)
 &rst
  ixpk= 177, 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    (#    178:10  Unique         2.01, 2.15 A)
 &rst
  ixpk= 178, nxpk= 10, iat= 294, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:179     18 VAL  HN          3.50    (#    179:10  Single Ambig)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1, 290, 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
#
#   28 GLU  HN           29 VAL  HN          2.80    (#    180:10  Unique         1.91, 2.02 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 447, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 VAL  HA           29 VAL  HN          3.50    (#    181:10  Unique         2.64, 2.72 A)
 &rst
  ixpk= 181, 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    (#    182:10  Unique         2.07, 2.19 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 466, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 VAL  MGY          29 VAL  HN          3.50    (#    183:10  Unique         2.31, 3.90 A)
 &rst
  ixpk= 183, 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    (#    184:10  Unique         2.31, 3.90 A)
 &rst
  ixpk= 184, 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    (#    185:10  Unique         2.91, 4.42 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 379, 380, 381,
 &end
#
#   71 ASN  HA           71 ASN  HN          4.50    (#    186:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1109,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 GLU  HA           71 ASN  HN          2.80    (#    187:10  Unique         2.17, 2.25 A)
 &rst
  ixpk= 187, 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    (#    188:10  Unique         2.36, 2.73 A)
 &rst
  ixpk= 188, 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    (#    189:10  Unique         2.36, 2.73 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1111,1112,
 &end
#
#   28 GLU  HA           29 VAL  HN          4.50    (#    190:10  Unique         3.30, 3.44 A)
 &rst
  ixpk= 190, nxpk= 10, iat= 449, 462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HA           29 VAL  HN          5.50    (#    191:10  Unique         3.37, 3.46 A)
 &rst
  ixpk= 191, nxpk= 10, iat= 408, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 GLN  HN           13 TYR  HN          4.50    (#    192:10  Unique         2.60, 2.72 A)
 &rst
  ixpk= 192, nxpk= 10, iat= 224, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HN           13 TYR  HN          3.50    (#    193:10  Unique         2.43, 2.55 A)
 &rst
  ixpk= 193, nxpk= 10, iat= 186, 203, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 TYR  HA           13 TYR  HN          4.50    (#    194:10  Unique         2.77, 2.81 A)
 &rst
  ixpk= 194, 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    (#    195:10  Unique         2.08, 2.47 A)
 &rst
  ixpk= 195, 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    (#    196:10  Unique         2.08, 2.47 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#    0 AMB  10-2:197     13 TYR  HN          4.50    (#    197:10  Single Ambig)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 228, 229, 228, 229, 161, 162,
 &end
#
#   65 GLY  HN           66 TYR  HN          3.50    (#    198:10  Unique         1.94, 2.44 A)
 &rst
  ixpk= 198, nxpk= 10, iat=1017,1024, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:200     66 TYR  HN          3.50    (#    200:10  Single Ambig)
 &rst
  ixpk= 200, 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    (#    201:10  Unique         2.25, 2.96 A)
 &rst
  ixpk= 201, 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    (#    202:10  Unique         2.25, 2.96 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1028,1029,
 &end
#
#   61 LEU  HN           60 ILE  HN          3.50    (#    203:10  Unique         2.72, 2.80 A)
 &rst
  ixpk= 203, nxpk= 10, iat= 955, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLU  HN           60 ILE  HN          4.50    (#    204:10  Unique         2.59, 2.64 A)
 &rst
  ixpk= 204, 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    (#    205:10  Unique         3.22, 3.36 A)
 &rst
  ixpk= 205, 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    (#    206:10  Unique         2.86, 2.88 A)
 &rst
  ixpk= 206, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:207     60 ILE  HN          3.50    (#    207:10  Single Ambig)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 925, 926, 925, 926,
 &end
#
#    0 AMB  10-2:208     60 ILE  HN          2.80    (#    208:10  Single Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 940, 946, 947,
 &end
#
#   60 ILE  HG1+         60 ILE  HN          4.50    (#    209:10  Unique         2.50, 3.21 A)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 946, 947,
 &end
#
#    0 AMB  10-2:210     60 ILE  HN          3.50    (#    210:10  Single Ambig)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 949, 950, 951, 942, 943, 944,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   54 SER  HA           54 SER  HN          4.50    (#    211:10  Unique         2.80, 2.86 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 856, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 MET  HA           80 MET  HN          4.50    (#    212:10  Unique         2.91, 2.96 A)
 &rst
  ixpk= 212, 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    (#    213:10  Unique         2.52, 2.69 A)
 &rst
  ixpk= 213, nxpk= 10, iat=1219,1227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   79 ALA  MB           80 MET  HN          4.50    (#    214:10  Unique         4.12, 4.52 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1221,1222,1223,
 &end
#
#   80 MET  HB-          80 MET  HN          3.50    (#    215:10  Unique         2.28, 3.25 A)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1231,1232,
 &end
#
#   78 ILE  QG2          80 MET  HN          3.50    (#    216:10  Unique         2.12, 3.64 A)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1204,1205,1206,
 &end
#
#   82 LYS  HE+          80 MET  HN          4.50    (#    217:10  Unique         3.48, 4.79 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1271,1272,
 &end
#
#   58 LYS  HA           59 GLU  HN          5.50    (#    218:10  Unique         3.60, 3.61 A)
 &rst
  ixpk= 218, nxpk= 10, iat= 901, 921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:219     59 GLU  HN          4.50    (#    219:10  Single Ambig)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 899, 955,
 &end
#
#   60 ILE  HN           59 GLU  HN          4.50    (#    220:10  Unique         2.59, 2.64 A)
 &rst
  ixpk= 220, nxpk= 10, iat= 936, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 GLN  HA           59 GLU  HN          4.50    (#    221:10  Unique         3.54, 3.62 A)
 &rst
  ixpk= 221, nxpk= 10, iat= 874, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HA           59 GLU  HN          3.50    (#    222:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 222, 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    (#    223:10  Unique         2.15, 3.06 A)
 &rst
  ixpk= 223, 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    (#    224:10  Unique         2.15, 3.06 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#    0 AMB  10-2:225     59 GLU  HN          2.80    (#    225:10  Single Ambig)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 925, 926, 925, 926, 903, 904,
 &end
#
#   83 VAL  HA           83 VAL  HN          4.50    (#    230:10  Unique         2.87, 2.94 A)
 &rst
  ixpk= 230, nxpk= 10, iat=1282,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 HIS  HN           83 VAL  HN          4.50    (#    232:10  Unique         2.39, 2.89 A)
 &rst
  ixpk= 232, nxpk= 10, iat= 273,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:233     83 VAL  HN          4.50    (#    233:10  Single Ambig)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1262,1263, 310, 311,
 &end
#
#   83 VAL  MGX          83 VAL  HN          4.50    (#    234:10  Unique         1.88, 3.43 A)
 &rst
  ixpk= 234, 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
#
#    0 AMB  10-2:235      0 AMB  10-1:235    4.50    (#    235:10  Double Ambig)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  91, 938,
 igr2= 750, 955,
 &end
#
#   46 VAL  HA           47 TYR  HN          2.80    (#    236:10  Unique         2.15, 2.26 A)
 &rst
  ixpk= 236, nxpk= 10, iat= 736, 750, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:237      0 AMB  10-1:237    4.50    (#    237:10  Double Ambig)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 740, 741, 742, 744, 745, 746, 468, 469, 470, 472,
       473, 474,
 igr2= 750, 955,
 &end
#
#   13 TYR  HN           14 GLN  HN          4.50    (#    238:10  Unique         2.60, 2.72 A)
 &rst
  ixpk= 238, 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    (#    239:10  Unique         2.16, 2.76 A)
 &rst
  ixpk= 239, nxpk= 10, iat= 241, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 GLN  HE2-         14 GLN  HN          4.50    (#    240:10  Unique         2.54, 4.02 A)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 236, 237,
 &end
#
#   11 GLU  HA           14 GLN  HN          5.50    (#    241:10  Unique         3.13, 3.52 A)
 &rst
  ixpk= 241, nxpk= 10, iat= 173, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 GLN  HA           14 GLN  HN          4.50    (#    242:10  Unique         2.75, 2.86 A)
 &rst
  ixpk= 242, 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    (#    243:10  Unique         2.60, 3.44 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#    0 AMB  10-2:244     14 GLN  HN          4.50    (#    244:10  Single Ambig)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 207, 208, 248, 249,
 &end
#
#    0 AMB  10-2:245     14 GLN  HN          4.50    (#    245:10  Single Ambig)
 &rst
  ixpk= 245, 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  10-2:246     14 GLN  HN          2.80    (#    246:10  Single Ambig)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 228, 229, 228, 229,
 &end
#
#   62 SER  HN           61 LEU  HN          4.50    (#    247:10  Unique         2.64, 2.69 A)
 &rst
  ixpk= 247, 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    (#    248:10  Unique         2.72, 2.80 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 936, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 LEU  HA           61 LEU  HN          4.50    (#    249:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 249, nxpk= 10, iat= 957, 955, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:250     61 LEU  HN          4.50    (#    250:10  Single Ambig)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 901, 891,
 &end
#
#    0 AMB  10-2:251      0 AMB  10-1:251    2.80    (#    251:10  Double Ambig)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 959, 960, 940, 738,
 igr2= 955, 750,
 &end
#
#   61 LEU  HG           61 LEU  HN          3.50    (#    252:10  Unique         2.28, 2.42 A)
 &rst
  ixpk= 252, 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    (#    253:10  Unique         2.30, 3.02 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 959, 960,
 &end
#
#   61 LEU  MDY          61 LEU  HN          4.50    (#    254:10  Unique         2.76, 4.37 A)
 &rst
  ixpk= 254, 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
#
#    0 AMB  10-2:255      0 AMB  10-1:255    3.50    (#    255:10  Double Ambig)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
 igr1= 942, 943, 944, 740, 741, 742, 744, 745, 746,1082,
      1083,1084,1086,1087,1088,1082,1083,1084,1086,1087,
      1088,
 igr2= 955, 750,
 &end
#
#    0 AMB  10-2:258     39 ASP  HN          3.50    (#    258:10  Single Ambig)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 612, 613, 612, 613, 615, 616,
 &end
#
#   39 ASP  HA           39 ASP  HN          4.50    (#    259:10  Unique         2.90, 2.94 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 624, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 PRO  HD+          39 ASP  HN          4.50    (#    260:10  Unique         2.51, 3.41 A)
 &rst
  ixpk= 260, 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    (#    261:10  Unique         2.37, 2.75 A)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 626, 627,
 &end
#
#    0 AMB  10-2:262     39 ASP  HN          3.50    (#    262:10  Single Ambig)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 626, 627, 615, 616,
 &end
#
#   37 VAL  MGY          39 ASP  HN          4.50    (#    263:10  Unique         2.54, 5.27 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   31 GLU  HN           30 LYS  HN          3.50    (#    264:10  Unique         2.56, 2.73 A)
 &rst
  ixpk= 264, nxpk= 10, iat= 500, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HN           30 LYS  HN          4.50    (#    265:10  Unique         2.76, 2.99 A)
 &rst
  ixpk= 265, nxpk= 10, iat= 462, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 LYS  HA           30 LYS  HN          3.50    (#    266:10  Unique         2.78, 2.87 A)
 &rst
  ixpk= 266, nxpk= 10, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:267     30 LYS  HN          3.50    (#    267:10  Single Ambig)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 466, 504, 505, 504, 505,
 &end
#
#   30 LYS  HB+          30 LYS  HN          2.80    (#    268:10  Unique         2.21, 2.87 A)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 482, 483,
 &end
#
#    0 AMB  10-2:269     30 LYS  HN          2.80    (#    269:10  Single Ambig)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 482, 483, 488, 489, 488, 489,
 &end
#
#   30 LYS  HG+          30 LYS  HN          4.50    (#    270:10  Unique         2.05, 3.52 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 485, 486,
 &end
#
#    0 AMB  10-2:271     30 LYS  HN          4.50    (#    271:10  Single Ambig)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 468, 469, 470, 472, 473, 474, 942, 943, 944,
 &end
#
#   29 VAL  MGX          30 LYS  HN          4.50    (#    272:10  Unique         2.30, 4.24 A)
 &rst
  ixpk= 272, 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
#
#   46 VAL  MGX          58 LYS  HN          4.50    (#    273:10  Unique         2.72, 4.69 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#   59 GLU  HN           58 LYS  HN          4.50    (#    274:10  Unique         2.66, 2.72 A)
 &rst
  ixpk= 274, nxpk= 10, iat= 921, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 LYS  HA           58 LYS  HN          3.50    (#    275:10  Unique         2.84, 2.89 A)
 &rst
  ixpk= 275, nxpk= 10, iat= 901, 899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:276     58 LYS  HN          4.50    (#    276:10  Single Ambig)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 867, 868, 856,
 &end
#
#   58 LYS  HB+          58 LYS  HN          3.50    (#    277:10  Unique         2.48, 2.60 A)
 &rst
  ixpk= 277, 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          3.50    (#    278:10  Unique         2.48, 2.60 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 903, 904,
 &end
#
#   57 ALA  MB           58 LYS  HN          3.50    (#    279:10  Unique         2.73, 3.54 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 893, 894, 895,
 &end
#
#   11 GLU  HN           12 GLN  HN          4.50    (#    280:10  Unique         2.80, 2.91 A)
 &rst
  ixpk= 280, nxpk= 10, iat= 171, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HG-          12 GLN  HN          4.50    (#    281:10  Unique         2.11, 2.88 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 193, 194,
 &end
#
#    9 VAL  MGX          12 GLN  HN          3.50    (#    282:10  Unique         2.25, 5.14 A)
 &rst
  ixpk= 282, 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
#
#   12 GLN  HA           12 GLN  HN          4.50    (#    283:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:284     12 GLN  HN          4.50    (#    284:10  Single Ambig)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 228, 229, 228, 229, 161, 162,
 &end
#
#    8 ARG  HN            7 VAL  HN          4.50    (#    285:10  Unique         2.40, 2.72 A)
 &rst
  ixpk= 285, 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    (#    286:10  Unique         2.16, 2.22 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  91, 101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  MGY           7 VAL  HN          4.50    (#    287:10  Unique         2.19, 3.45 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  MGX           7 VAL  HN          3.50    (#    288:10  Unique         2.19, 3.45 A)
 &rst
  ixpk= 288, 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
#
#   13 TYR  HN           12 GLN  HN          3.50    (#    289:10  Unique         2.43, 2.55 A)
 &rst
  ixpk= 289, nxpk= 10, iat= 203, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 TYR  HA           48 CYS  HN          3.50    (#    290:10  Unique         2.22, 2.38 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 752, 771, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 TYR  HB+          48 CYS  HN          4.50    (#    292:10  Unique         2.54, 3.25 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 754, 755,
 &end
#
#   74 GLY  HA-          48 CYS  HN          4.50    (#    293:10  Unique         1.94, 3.85 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1140,1141,
 &end
#
#   47 TYR  HB-          48 CYS  HN          4.50    (#    294:10  Unique         2.54, 3.25 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 754, 755,
 &end
#
#   84 LYS  HA           85 GLY  HN          2.80    (#    295:10  Unique         2.21, 2.31 A)
 &rst
  ixpk= 295, 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    (#    296:10  Unique         2.28, 2.59 A)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1320,1321,
 &end
#
#   15 GLN  HA           85 GLY  HN          4.50    (#    297:10  Unique         2.67, 4.10 A)
 &rst
  ixpk= 297, nxpk= 10, iat= 243,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 GLY  HA-          85 GLY  HN          3.50    (#    298:10  Unique         2.28, 2.59 A)
 &rst
  ixpk= 298, 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    (#    299:10  Unique         2.28, 3.29 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1300,1301,
 &end
#
#   61 LEU  HN           62 SER  HN          3.50    (#    300:10  Unique         2.64, 2.69 A)
 &rst
  ixpk= 300, nxpk= 10, iat= 955, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 GLU  HN           62 SER  HN          3.50    (#    301:10  Unique         2.65, 2.75 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 985, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 SER  HA           62 SER  HN          3.50    (#    302:10  Unique         2.80, 2.85 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 976, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:303     62 SER  HN          2.80    (#    303:10  Single Ambig)
 &rst
  ixpk= 303, 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    (#    304:10  Unique         2.71, 3.35 A)
 &rst
  ixpk= 304, 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          4.50    (#    305:10  Unique         2.71, 3.35 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 959, 960,
 &end
#
#    0 AMB  10-2:306     62 SER  HN          4.50    (#    306:10  Single Ambig)
 &rst
  ixpk= 306, 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
#
#   14 GLN  HN           15 GLN  HN          4.50    (#    307:10  Unique         2.16, 2.76 A)
 &rst
  ixpk= 307, 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    (#    308:10  Unique         2.08, 2.49 A)
 &rst
  ixpk= 308, 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    (#    309:10  Unique         2.83, 2.92 A)
 &rst
  ixpk= 309, nxpk= 10, iat= 243, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 GLN  HA           15 GLN  HN          5.50    (#    310:10  Unique         3.22, 3.53 A)
 &rst
  ixpk= 310, nxpk= 10, iat= 226, 241, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLN  HG+          15 GLN  HN          4.50    (#    311:10  Unique         1.88, 2.75 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 248, 249,
 &end
#
#    0 AMB  10-2:312     15 GLN  HN          2.80    (#    312:10  Single Ambig)
 &rst
  ixpk= 312, 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  10-2:313     15 GLN  HN          3.50    (#    313:10  Single Ambig)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 228, 229, 228, 229,
 &end
#
#   27 LYS  HN           28 GLU  HN          3.50    (#    314:10  Unique         2.67, 2.77 A)
 &rst
  ixpk= 314, nxpk= 10, iat= 425, 447, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 GLU  HA           28 GLU  HN          4.50    (#    315:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 315, nxpk= 10, iat= 449, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HN           28 GLU  HN          2.80    (#    316:10  Unique         1.91, 2.02 A)
 &rst
  ixpk= 316, nxpk= 10, iat= 462, 447, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:317     28 GLU  HN          4.50    (#    317:10  Single Ambig)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452, 454, 455, 399, 400,
 &end
#
#   28 GLU  HG-          28 GLU  HN          4.50    (#    318:10  Unique         2.59, 3.38 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 454, 455,
 &end
#
#    0 AMB  10-2:319     28 GLU  HN          3.50    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 451, 452, 429, 430,
 &end
#
#   28 GLU  HA           28 GLU  HN          4.50    (#    320:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 449, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 THR  MG2          43 THR  HN          4.50    (#    321:10  Unique         4.24, 4.49 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 688, 689, 690,
 &end
#
#    2 GLU  HA           43 THR  HN          4.50    (#    322:10  Unique         2.37, 3.10 A)
 &rst
  ixpk= 322, 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    (#    324:10  Unique         2.17, 2.32 A)
 &rst
  ixpk= 324, nxpk= 10, iat= 672, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 THR  HB           43 THR  HN          2.80    (#    325:10  Unique         2.28, 2.58 A)
 &rst
  ixpk= 325, nxpk= 10, iat= 686, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 ASP  HB+          43 THR  HN          4.50    (#    326:10  Unique         3.71, 3.93 A)
 &rst
  ixpk= 326, 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    (#    327:10  Unique         3.71, 3.93 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#    0 AMB  10-2:328     77 ASP  HN          4.50    (#    328:10  Single Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1171,1172,1171,1172,
 &end
#
#    0 AMB  10-2:329     77 ASP  HN          4.50    (#    329:10  Single Ambig)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1168,1169,1208,1209,
 &end
#
#   76 LYS  HN           77 ASP  HN          4.50    (#    331:10  Unique         2.56, 2.74 A)
 &rst
  ixpk= 331, 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    (#    332:10  Unique         2.13, 2.53 A)
 &rst
  ixpk= 332, nxpk= 10, iat=1198,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:333      0 AMB  10-1:333    3.50    (#    333:10  Double Ambig)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1007,1008,1190,1191,
 igr2=1000,1186,
 &end
#
#   77 ASP  HA           77 ASP  HN          4.50    (#    334:10  Unique         2.80, 2.90 A)
 &rst
  ixpk= 334, nxpk= 10, iat=1188,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 LYS  HN           41 ASN  HN          3.50    (#    335:10  Unique         2.12, 2.91 A)
 &rst
  ixpk= 335, 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    (#    336:10  Unique         1.96, 2.43 A)
 &rst
  ixpk= 336, nxpk= 10, iat= 670, 656, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   41 ASN  HA           41 ASN  HN          4.50    (#    337:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 337, nxpk= 10, iat= 658, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASN  HB+          41 ASN  HN          4.50    (#    338:10  Unique         2.25, 2.68 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 660, 661,
 &end
#
#    0 AMB  10-2:339     41 ASN  HN          3.50    (#    339:10  Single Ambig)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 660, 661, 647, 648, 647, 648,
 &end
#
#   46 VAL  HA           46 VAL  HN          4.50    (#    340:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 340, nxpk= 10, iat= 736, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:341     46 VAL  HN          2.80    (#    341:10  Single Ambig)
 &rst
  ixpk= 341, 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          3.50    (#    342:10  Unique         1.97, 3.33 A)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  10-2:343      0 AMB  10-1:343    4.50    (#    343:10  Double Ambig)
 &rst
  ixpk= 343, 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
#
#   61 LEU  HA           64 MET  HN          4.50    (#    344:10  Unique         2.95, 3.09 A)
 &rst
  ixpk= 344, nxpk= 10, iat= 957,1000, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:345      0 AMB  10-1:345    3.50    (#    345:10  Double Ambig)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1007,1008,1190,1191,
 igr2=1000,1186,
 &end
#
#    0 AMB  10-2:346     64 MET  HN          3.50    (#    346:10  Single Ambig)
 &rst
  ixpk= 346, 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    (#    347:10  Unique         2.23, 2.95 A)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1004,1005,
 &end
#
#    0 AMB  10-2:348     64 MET  HN          4.50    (#    348:10  Single Ambig)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 989, 990, 989, 990,
 &end
#
#   63 GLU  HN           64 MET  HN          3.50    (#    349:10  Unique         2.62, 2.66 A)
 &rst
  ixpk= 349, nxpk= 10, iat= 985,1000, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASN  HB+          41 ASN  HD2+        4.50    (#    350:10  Unique         2.23, 3.39 A)
 &rst
  ixpk= 350, 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    (#    351:10  Unique         2.23, 3.39 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   15 GLN  HN           16 GLU  HN          3.50    (#    352:10  Unique         2.08, 2.49 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 241, 258, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLN  HA           16 GLU  HN          5.50    (#    353:10  Unique         3.59, 3.64 A)
 &rst
  ixpk= 353, nxpk= 10, iat= 243, 258, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:354     16 GLU  HN          4.50    (#    354:10  Single Ambig)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 265, 266, 262, 263,
 &end
#
#   16 GLU  HA           16 GLU  HN          4.50    (#    355:10  Unique         2.62, 2.79 A)
 &rst
  ixpk= 355, nxpk= 10, iat= 260, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:356     16 GLU  HN          3.50    (#    356:10  Single Ambig)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 245, 246, 245, 246,
 &end
#
#   41 ASN  HB-          41 ASN  HD2-        4.50    (#    357:10  Unique         2.23, 3.39 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   75 LEU  HN           76 LYS  HN          4.50    (#    358:10  Unique         1.96, 2.85 A)
 &rst
  ixpk= 358, nxpk= 10, iat=1145,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ASP  HN           76 LYS  HN          4.50    (#    359:10  Unique         2.56, 2.74 A)
 &rst
  ixpk= 359, nxpk= 10, iat=1186,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 LYS  HA           76 LYS  HN          3.50    (#    360:10  Unique         2.79, 2.84 A)
 &rst
  ixpk= 360, nxpk= 10, iat=1166,1164, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 LEU  HB+          76 LYS  HN          3.50    (#    361:10  Unique         2.44, 3.39 A)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#    0 AMB  10-2:362      0 AMB  10-1:362    2.80    (#    362:10  Double Ambig)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1168,1169, 310, 311,
 igr2=1164, 323,
 &end
#
#    0 AMB  10-2:363     76 LYS  HN          3.50    (#    363:10  Single Ambig)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1171,1172,1171,1172,
 &end
#
#   20 GLY  HA-          20 GLY  HN          4.50    (#    365:10  Unique         2.29, 2.68 A)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 325, 326,
 &end
#
#    0 AMB  10-2:366      0 AMB  10-1:366    4.50    (#    366:10  Double Ambig)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1149,1150, 310, 311,
 igr2=1164, 323,
 &end
#
#   19 GLN  HA           20 GLY  HN          3.50    (#    367:10  Unique         2.15, 2.32 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 308, 323, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 VAL  HN           17 HIS  HN          4.50    (#    368:10  Unique         2.39, 2.89 A)
 &rst
  ixpk= 368, 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    (#    369:10  Unique         2.91, 2.95 A)
 &rst
  ixpk= 369, 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    (#    370:10  Unique         2.17, 2.28 A)
 &rst
  ixpk= 370, 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    (#    371:10  Unique         2.92, 4.34 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 265, 266,
 &end
#
#   16 GLU  HG-          17 HIS  HN          4.50    (#    372:10  Unique         2.92, 4.34 A)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 265, 266,
 &end
#
#   30 LYS  HN           31 GLU  HN          3.50    (#    373:10  Unique         2.56, 2.73 A)
 &rst
  ixpk= 373, 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    (#    374:10  Unique         2.06, 2.22 A)
 &rst
  ixpk= 374, 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    (#    375:10  Unique         2.92, 2.98 A)
 &rst
  ixpk= 375, nxpk= 10, iat= 502, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:376     31 GLU  HN          4.50    (#    376:10  Single Ambig)
 &rst
  ixpk= 376, 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  10-2:377     31 GLU  HN          2.80    (#    377:10  Single Ambig)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 504, 505, 504, 505,
 &end
#
#   30 LYS  HB-          31 GLU  HN          4.50    (#    378:10  Unique         2.72, 3.69 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 482, 483,
 &end
#
#    0 AMB  10-2:379     31 GLU  HN          4.50    (#    379:10  Single Ambig)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 482, 483, 522, 523,
 &end
#
#   30 LYS  HA           31 GLU  HN          4.50    (#    380:10  Unique         3.37, 3.50 A)
 &rst
  ixpk= 380, nxpk= 10, iat= 480, 500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HN           11 GLU  HN          4.50    (#    381:10  Unique         2.80, 2.91 A)
 &rst
  ixpk= 381, nxpk= 10, iat= 186, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLU  HA           11 GLU  HN          3.50    (#    382:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 382, nxpk= 10, iat= 173, 171, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:383     11 GLU  HN          4.50    (#    383:10  Single Ambig)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 158, 159, 158, 159,
 &end
#
#    9 VAL  HB           11 GLU  HN          4.50    (#    384:10  Unique         2.23, 2.47 A)
 &rst
  ixpk= 384, nxpk= 10, iat= 145, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:385     11 GLU  HN          4.50    (#    385:10  Single Ambig)
 &rst
  ixpk= 385, 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  10-2:386     11 GLU  HN          2.80    (#    386:10  Single Ambig)
 &rst
  ixpk= 386, 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    (#    387:10  Unique         3.04, 3.96 A)
 &rst
  ixpk= 387, 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    (#    388:10  Unique         2.48, 4.27 A)
 &rst
  ixpk= 388, 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
#
#    0 AMB  10-2:389     37 VAL  HN          4.50    (#    389:10  Single Ambig)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 594, 570,
 &end
#
#   37 VAL  HB           37 VAL  HN          3.50    (#    390:10  Unique         2.70, 2.85 A)
 &rst
  ixpk= 390, nxpk= 10, iat= 596, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ALA  HN           37 VAL  HN          3.50    (#    391:10  Unique         1.85, 2.46 A)
 &rst
  ixpk= 391, nxpk= 10, iat= 582, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:392     37 VAL  HN          4.50    (#    392:10  Single Ambig)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 594, 570,
 &end
#
#   37 VAL  HB           37 VAL  HN          4.50    (#    393:10  Unique         2.70, 2.85 A)
 &rst
  ixpk= 393, nxpk= 10, iat= 596, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:394     37 VAL  HN          3.50    (#    394:10  Single Ambig)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 586, 587, 588, 549, 550,
 &end
#
#   37 VAL  MGX          37 VAL  HN          4.50    (#    395:10  Unique         2.81, 4.27 A)
 &rst
  ixpk= 395, 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
#
#   33 ILE  HN           32 ARG  HN          3.50    (#    396:10  Unique         1.95, 2.54 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 539, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLU  HN           32 ARG  HN          3.50    (#    397:10  Unique         2.06, 2.22 A)
 &rst
  ixpk= 397, 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    (#    398:10  Unique         2.74, 2.89 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 517, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:399     32 ARG  HN          4.50    (#    399:10  Single Ambig)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 504, 505, 504, 505,
 &end
#
#    0 AMB  10-2:400     32 ARG  HN          3.50    (#    400:10  Single Ambig)
 &rst
  ixpk= 400, 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          3.50    (#    401:10  Unique         2.16, 2.96 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 519, 520,
 &end
#
#   26 LEU  HN           27 LYS  HN          5.50    (#    402:10  Unique         2.94, 3.08 A)
 &rst
  ixpk= 402, nxpk= 10, iat= 406, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 LYS  HA           27 LYS  HN          3.50    (#    403:10  Unique         2.82, 2.86 A)
 &rst
  ixpk= 403, nxpk= 10, iat= 427, 425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:404     27 LYS  HN          2.80    (#    404:10  Single Ambig)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 429, 430, 410, 411,
 &end
#
#    0 AMB  10-2:405     27 LYS  HN          4.50    (#    405:10  Single Ambig)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 399, 400, 413,
 &end
#
#    0 AMB  10-2:406     27 LYS  HN          3.50    (#    406:10  Single Ambig)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 432, 433, 432, 433, 410, 411,
 &end
#
#   68 HIS  HN           67 THR  HN          4.50    (#    407:10  Unique         2.00, 2.67 A)
 &rst
  ixpk= 407, nxpk= 10, iat=1059,1045, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HA           67 THR  HN          2.80    (#    409:10  Unique         2.16, 2.25 A)
 &rst
  ixpk= 409, nxpk= 10, iat=1026,1045, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 THR  MG2          67 THR  HN          3.50    (#    410:10  Unique         2.17, 3.69 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1051,1052,1053,
 &end
#
#    0 AMB  10-2:411     67 THR  HN          3.50    (#    411:10  Single Ambig)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1047,1049,
 &end
#
#   54 SER  HN           55 GLY  HN          4.50    (#    415:10  Unique         2.47, 2.66 A)
 &rst
  ixpk= 415, nxpk= 10, iat= 854, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:416      0 AMB  10-1:416    2.80    (#    416:10  Double Ambig)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 867, 868, 243,
 igr2= 865, 236, 237,
 &end
#
#    0 AMB  10-2:417      0 AMB  10-1:417    3.50    (#    417:10  Double Ambig)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 867, 868,1320,1321,
 igr2= 865, 236, 237,
 &end
#
#   12 GLN  HG+          12 GLN  HE2+        4.50    (#    418:10  Unique         2.20, 3.28 A)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 193, 194,
 igr2= 198, 199,
 &end
#
#    0 AMB  10-2:419      0 AMB  10-1:419    4.50    (#    419:10  Double Ambig)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 193, 194,  93,  94,
 igr2= 198, 199, 198, 199,
 &end
#
#    8 ARG  HA            9 VAL  HN          3.50    (#    420:10  Unique         2.36, 2.53 A)
 &rst
  ixpk= 420, nxpk= 10, iat= 119, 141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 VAL  HA            9 VAL  HN          4.50    (#    421:10  Unique         2.73, 2.80 A)
 &rst
  ixpk= 421, nxpk= 10, iat= 143, 141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ARG  HB+           9 VAL  HN          3.50    (#    422:10  Unique         1.96, 3.33 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 121, 122,
 &end
#
#    8 ARG  HB-           9 VAL  HN          4.50    (#    423:10  Unique         1.96, 3.33 A)
 &rst
  ixpk= 423, 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    (#    424:10  Unique         1.90, 3.00 A)
 &rst
  ixpk= 424, 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
#
#    9 VAL  MGX           9 VAL  HN          3.50    (#    425:10  Unique         1.90, 3.00 A)
 &rst
  ixpk= 425, 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
#
#   55 GLY  HA-          71 ASN  HD2+        4.50    (#    426:10  Unique         2.55, 4.07 A)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 867, 868,
 igr2=1116,1117,
 &end
#
#   55 GLY  HA-          71 ASN  HD2-        4.50    (#    427:10  Unique         2.55, 4.07 A)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 867, 868,
 igr2=1116,1117,
 &end
#
#   71 ASN  HB+          71 ASN  HD2+        4.50    (#    428:10  Unique         2.33, 3.27 A)
 &rst
  ixpk= 428, 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    (#    429:10  Unique         2.33, 3.27 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#    0 AMB  10-2:430      0 AMB  10-1:430    5.50    (#    430:10  Double Ambig)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 879, 880, 876, 877,
 igr2= 884, 885, 884, 885,
 &end
#
#   74 GLY  HA+          74 GLY  HN          4.50    (#    431:10  Unique         2.24, 2.68 A)
 &rst
  ixpk= 431, 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    (#    432:10  Unique         2.17, 2.82 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1133,1134,
 &end
#
#   73 GLY  HA-          74 GLY  HN          3.50    (#    433:10  Unique         2.17, 2.82 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1133,1134,
 &end
#
#   74 GLY  HA-          74 GLY  HN          3.50    (#    434:10  Unique         2.24, 2.68 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1140,1141,
 &end
#
#   34 ALA  HN           35 THR  HN          3.50    (#    435:10  Unique         2.71, 2.80 A)
 &rst
  ixpk= 435, 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    (#    436:10  Unique         2.71, 3.44 A)
 &rst
  ixpk= 436, nxpk= 10, iat= 572, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 THR  HA           35 THR  HN          4.50    (#    437:10  Unique         2.85, 2.93 A)
 &rst
  ixpk= 437, nxpk= 10, iat= 570, 568, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ALA  MB           35 THR  HN          4.50    (#    438:10  Unique         2.68, 3.73 A)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 562, 563, 564,
 &end
#
#   35 THR  MG2          35 THR  HN          4.50    (#    439:10  Unique         2.32, 3.88 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 574, 575, 576,
 &end
#
#   36 ALA  HN           35 THR  HN          3.50    (#    440:10  Unique         1.97, 2.35 A)
 &rst
  ixpk= 440, nxpk= 10, iat= 582, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 ASN  HA           23 ASN  HD2+        4.50    (#    441:10  Unique         2.42, 3.11 A)
 &rst
  ixpk= 441, 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    (#    442:10  Unique         2.42, 3.11 A)
 &rst
  ixpk= 442, nxpk= 10, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 368, 369,
 &end
#
#   72 ALA  HN           73 GLY  HN          3.50    (#    443:10  Unique         2.38, 2.63 A)
 &rst
  ixpk= 443, nxpk= 10, iat=1121,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 GLY  HA+          73 GLY  HN          3.50    (#    444:10  Unique         2.25, 2.73 A)
 &rst
  ixpk= 444, 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    (#    445:10  Unique         2.25, 2.73 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1133,1134,
 &end
#
#   65 GLY  HA+          65 GLY  HN          4.50    (#    446:10  Unique         2.27, 2.63 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1019,1020,
 &end
#
#   66 TYR  HN           65 GLY  HN          3.50    (#    447:10  Unique         1.94, 2.44 A)
 &rst
  ixpk= 447, 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    (#    448:10  Unique         2.27, 2.63 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1019,1020,
 &end
#
#   46 VAL  HN           72 ALA  HN          4.50    (#    449:10  Unique         3.06, 3.44 A)
 &rst
  ixpk= 449, nxpk= 10, iat= 734,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 VAL  MGX          72 ALA  HN          4.50    (#    450:10  Unique         3.27, 5.59 A)
 &rst
  ixpk= 450, 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  10-2:451     45 LYS  HN          5.50    (#    451:10  Single Ambig)
 &rst
  ixpk= 451, 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
#
#   21 ALA  MB            6 ASP  HN          4.50    (#    452:10  Unique         2.67, 3.96 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 334, 335, 336,
 &end
#
#   69 VAL  HN           68 HIS  HN          5.50    (#    453:10  Unique         2.29, 3.25 A)
 &rst
  ixpk= 453, nxpk= 10, iat=1076,1059, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:454     68 HIS  HN          4.50    (#    454:10  Single Ambig)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1047,1049,
 &end
#
#   68 HIS  HB+          68 HIS  HN          4.50    (#    455:10  Unique         2.62, 3.26 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#   67 THR  MG2          68 HIS  HN          5.50    (#    456:10  Unique         3.47, 5.02 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1051,1052,1053,
 &end
#
#    7 VAL  HA           24 ILE  HN          5.50    (#    458:10  Unique         2.78, 3.08 A)
 &rst
  ixpk= 458, nxpk= 10, iat= 103, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  HG1-         24 ILE  HN          5.50    (#    459:10  Unique         2.94, 3.49 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 383, 384,
 &end
#
#    0 AMB  10-2:460     24 ILE  HN          5.50    (#    460:10  Single Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 383, 384, 107, 108, 109, 111, 112, 113,
 &end
#
#   83 VAL  MGY          84 LYS  HN          4.50    (#    461:10  Unique         2.35, 4.53 A)
 &rst
  ixpk= 461, 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
#
#   33 ILE  HA           36 ALA  HN          4.50    (#    462:10  Unique         3.04, 3.23 A)
 &rst
  ixpk= 462, nxpk= 10, iat= 541, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HB+           5 ILE  HN          5.50    (#    463:10  Unique         2.84, 3.77 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#   62 SER  HA           63 GLU  HN          4.50    (#    464:10  Unique         3.60, 3.63 A)
 &rst
  ixpk= 464, nxpk= 10, iat= 976, 985, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 PRO  HA           26 LEU  HN          4.50    (#    465:10  Unique         2.16, 2.23 A)
 &rst
  ixpk= 465, nxpk= 10, iat= 402, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:466     75 LEU  HN          5.50    (#    466:10  Single Ambig)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1154,1155,1156,1158,1159,1160,1208,1209,
 &end
#
#    0 AMB  10-2:467      0 AMB  10-1:467    5.50    (#    467:10  Double Ambig)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 974, 425,
 igr2= 985, 406,
 &end
#
#   25 PRO  HB+          26 LEU  HN          5.50    (#    468:10  Unique         2.94, 3.44 A)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 399, 400,
 &end
#
#   26 LEU  MDX          26 LEU  HN          5.50    (#    469:10  Unique         4.44, 5.08 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  10-2:470     26 LEU  HN          5.50    (#    470:10  Single Ambig)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 107, 108, 109, 111, 112, 113, 468, 469, 470, 472,
       473, 474,
 &end
#
#    7 VAL  MGX          26 LEU  HN          5.50    (#    471:10  Unique         4.08, 5.32 A)
 &rst
  ixpk= 471, 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  10-2:472     34 ALA  HN          4.50    (#    472:10  Single Ambig)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 543, 522, 523,
 &end
#
#   77 ASP  HA           78 ILE  HN          5.50    (#    473:10  Unique         3.55, 3.59 A)
 &rst
  ixpk= 473, nxpk= 10, iat=1188,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:474     78 ILE  HN          5.50    (#    474:10  Single Ambig)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1190,1191,1271,1272,
 &end
#
#   78 ILE  QG2          78 ILE  HN          4.50    (#    475:10  Unique         4.14, 4.50 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1204,1205,1206,
 &end
#
#   78 ILE  QD1          78 ILE  HN          5.50    (#    476:10  Unique         2.09, 3.02 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#    7 VAL  HA            8 ARG  HN          4.50    (#    477:10  Unique         2.40, 2.96 A)
 &rst
  ixpk= 477, nxpk= 10, iat= 103, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:478      8 ARG  HN          4.50    (#    478:10  Single Ambig)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 396, 397, 410, 411,
 &end
#
#   20 GLY  HA+          21 ALA  HN          5.50    (#    479:10  Unique         2.72, 3.32 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 325, 326,
 &end
#
#   18 VAL  MGX          21 ALA  HN          5.50    (#    481:10  Unique         2.57, 5.14 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#   81 PRO  HB-          82 LYS  HN          4.50    (#    482:10  Unique         2.83, 3.32 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1251,1252,
 &end
#
#   82 LYS  HG-          82 LYS  HN          5.50    (#    483:10  Unique         2.86, 3.74 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1265,1266,
 &end
#
#    0 AMB  10-2:484     56 GLN  HN          4.50    (#    484:10  Single Ambig)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 867, 868, 856,
 &end
#
#   56 GLN  HA           57 ALA  HN          4.50    (#    486:10  Unique         3.62, 3.64 A)
 &rst
  ixpk= 486, nxpk= 10, iat= 874, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  MDX          57 ALA  HN          5.50    (#    487:10  Unique         2.47, 4.13 A)
 &rst
  ixpk= 487, 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
#
#   34 ALA  HN           33 ILE  HN          4.50    (#    488:10  Unique         2.75, 2.83 A)
 &rst
  ixpk= 488, nxpk= 10, iat= 558, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 HIS  HN           69 VAL  HN          4.50    (#    489:10  Unique         2.29, 3.25 A)
 &rst
  ixpk= 489, nxpk= 10, iat=1059,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:490      0 AMB  10-1:490    5.50    (#    490:10  Double Ambig)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1063,1064, 823, 824, 823, 824,
 igr2=1076, 813,
 &end
#
#   43 THR  HB            3 HIS  HN          4.50    (#    491:10  Unique         3.43, 3.69 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 686,  29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 HIS  HB+           3 HIS  HN          4.50    (#    492:10  Unique         2.28, 3.17 A)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#   18 VAL  HA           18 VAL  HN          4.50    (#    493:10  Unique         2.77, 2.84 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:494     29 VAL  HN          4.50    (#    494:10  Single Ambig)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 451, 452, 482, 483,
 &end
#
#   70 GLU  HB+          71 ASN  HN          4.50    (#    496:10  Unique         2.53, 3.91 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1096,1097,
 &end
#
#   70 GLU  HB-          71 ASN  HN          5.50    (#    497:10  Unique         2.53, 3.91 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1096,1097,
 &end
#
#   58 LYS  HD-          71 ASN  HN          4.50    (#    498:10  Unique         3.68, 5.04 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 909, 910,
 &end
#
#   10 PRO  HA           13 TYR  HN          5.50    (#    499:10  Unique         2.79, 3.06 A)
 &rst
  ixpk= 499, nxpk= 10, iat= 167, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 GLY  HA-          66 TYR  HN          4.50    (#    500:10  Unique         2.69, 3.32 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1019,1020,
 &end
#
#    0 AMB  10-2:501     60 ILE  HN          5.50    (#    501:10  Single Ambig)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 923, 978, 979,
 &end
#
#   53 GLN  HN           54 SER  HN          4.50    (#    502:10  Unique         2.46, 2.69 A)
 &rst
  ixpk= 502, nxpk= 10, iat= 837, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 MET  HG+          80 MET  HN          4.50    (#    503:10  Unique         2.56, 3.61 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1234,1235,
 &end
#
#   80 MET  HB+          80 MET  HN          4.50    (#    504:10  Unique         2.28, 3.25 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1231,1232,
 &end
#
#    0 AMB  10-2:505     59 GLU  HN          4.50    (#    505:10  Single Ambig)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904, 909, 910,
 &end
#
#   83 VAL  MGY          83 VAL  HN          4.50    (#    506:10  Unique         1.88, 3.43 A)
 &rst
  ixpk= 506, 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
#
#   12 GLN  HN           14 GLN  HN          5.50    (#    507:10  Unique         3.95, 4.11 A)
 &rst
  ixpk= 507, nxpk= 10, iat= 186, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:508      0 AMB  10-1:508    5.50    (#    508:10  Double Ambig)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  91, 938,
 igr2= 750, 955,
 &end
#
#   19 GLN  HN           83 VAL  HN          4.50    (#    509:10  Unique         3.18, 3.81 A)
 &rst
  ixpk= 509, nxpk= 10, iat= 306,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 ASN  HB+          49 ASN  HD2+        4.50    (#    510:10  Unique         2.21, 3.32 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 786, 787,
 igr2= 791, 792,
 &end
#
#   37 VAL  HA           39 ASP  HN          4.50    (#    511:10  Unique         3.22, 3.64 A)
 &rst
  ixpk= 511, nxpk= 10, iat= 594, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HA           30 LYS  HN          5.50    (#    512:10  Unique         3.42, 3.52 A)
 &rst
  ixpk= 512, nxpk= 10, iat= 464, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HA            7 VAL  HN          4.50    (#    513:10  Unique         2.97, 2.99 A)
 &rst
  ixpk= 513, nxpk= 10, iat= 103, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 GLY  HA+          48 CYS  HN          5.50    (#    516:10  Unique         1.94, 3.85 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1140,1141,
 &end
#
#   16 GLU  HA           85 GLY  HN          4.50    (#    517:10  Unique         2.84, 3.86 A)
 &rst
  ixpk= 517, nxpk= 10, iat= 260,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 LYS  HB-          85 GLY  HN          4.50    (#    518:10  Unique         2.28, 3.29 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1300,1301,
 &end
#
#   12 GLN  HA           15 GLN  HN          4.50    (#    519:10  Unique         2.88, 3.60 A)
 &rst
  ixpk= 519, nxpk= 10, iat= 188, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLN  HG-          15 GLN  HN          4.50    (#    520:10  Unique         1.88, 2.75 A)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 248, 249,
 &end
#
#   27 LYS  HA           28 GLU  HN          4.50    (#    521:10  Unique         3.40, 3.45 A)
 &rst
  ixpk= 521, nxpk= 10, iat= 427, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 LYS  HA           77 ASP  HN          4.50    (#    523:10  Unique         3.42, 3.54 A)
 &rst
  ixpk= 523, nxpk= 10, iat=1166,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:524     41 ASN  HN          5.50    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 624, 672,
 &end
#
#   40 LYS  HA           41 ASN  HN          5.50    (#    525:10  Unique         3.28, 3.38 A)
 &rst
  ixpk= 525, nxpk= 10, iat= 636, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   72 ALA  HN           46 VAL  HN          4.50    (#    526:10  Unique         3.06, 3.44 A)
 &rst
  ixpk= 526, nxpk= 10, iat=1121, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:527     46 VAL  HN          5.50    (#    527:10  Single Ambig)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 738,1096,1097,  74,
 &end
#
#   46 VAL  MGY          46 VAL  HN          4.50    (#    528:10  Unique         1.97, 3.33 A)
 &rst
  ixpk= 528, 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
#
#   66 TYR  HN           64 MET  HN          5.50    (#    529:10  Unique         3.99, 4.17 A)
 &rst
  ixpk= 529, nxpk= 10, iat=1024,1000, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 TYR  HA           16 GLU  HN          5.50    (#    531:10  Unique         3.24, 3.81 A)
 &rst
  ixpk= 531, nxpk= 10, iat= 205, 258, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:532      0 AMB  10-1:532    4.50    (#    532:10  Double Ambig)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 325, 326,1140,1141,
 igr2= 323,1164,
 &end
#
#    0 AMB  10-2:533     76 LYS  HN          5.50    (#    533:10  Single Ambig)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1152,1202,
 &end
#
#   84 LYS  HA           17 HIS  HN          4.50    (#    534:10  Unique         3.32, 3.81 A)
 &rst
  ixpk= 534, nxpk= 10, iat=1298, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HB+          17 HIS  HN          5.50    (#    535:10  Unique         2.61, 3.65 A)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 262, 263,
 &end
#
#   28 GLU  HA           31 GLU  HN          5.50    (#    536:10  Unique         3.17, 3.61 A)
 &rst
  ixpk= 536, nxpk= 10, iat= 449, 500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 ALA  HA           37 VAL  HN          4.50    (#    537:10  Unique         3.54, 3.58 A)
 &rst
  ixpk= 537, 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    (#    538:10  Unique         3.01, 3.79 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#    0 AMB  10-2:539     37 VAL  HN          5.50    (#    539:10  Single Ambig)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 598, 599, 600, 602, 603, 604, 549, 550,
 &end
#
#   33 ILE  QD1          37 VAL  HN          5.50    (#    540:10  Unique         3.02, 4.57 A)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 552, 553, 554,
 &end
#
#   31 GLU  HA           32 ARG  HN          5.50    (#    541:10  Unique         3.26, 3.55 A)
 &rst
  ixpk= 541, nxpk= 10, iat= 502, 515, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 VAL  HA           32 ARG  HN          4.50    (#    542:10  Unique         3.48, 3.75 A)
 &rst
  ixpk= 542, nxpk= 10, iat= 464, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:543     32 ARG  HN          4.50    (#    543:10  Single Ambig)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   26 LEU  HA           27 LYS  HN          5.50    (#    544:10  Unique         3.56, 3.58 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 408, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:545     27 LYS  HN          5.50    (#    545:10  Single Ambig)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 399, 400, 454, 455,
 &end
#
#   66 TYR  HB+          67 THR  HN          5.50    (#    546:10  Unique         2.61, 3.70 A)
 &rst
  ixpk= 546, 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          5.50    (#    547:10  Unique         2.83, 4.50 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#   51 GLY  HA+          51 GLY  HN          5.50    (#    548:10  Unique         2.25, 2.60 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 806, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 808, 809,
 &end
#
#   73 GLY  HA+          51 GLY  HN          5.50    (#    549:10  Unique         4.27, 5.99 A)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1, 806, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1133,1134,
 &end
#
#   53 GLN  HG+          53 GLN  HE2+        5.50    (#    550:10  Unique         2.26, 3.37 A)
 &rst
  ixpk= 550, 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    (#    551:10  Unique         2.26, 3.37 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#   52 ARG  HA           55 GLY  HN          4.50    (#    552:10  Unique         2.72, 3.24 A)
 &rst
  ixpk= 552, nxpk= 10, iat= 815, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 VAL  HB            9 VAL  HN          4.50    (#    553:10  Unique         3.47, 3.54 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 145, 141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASN  HB+          71 ASN  HD2-        5.50    (#    554:10  Unique         2.33, 3.27 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   71 ASN  HB-          71 ASN  HD2-        5.50    (#    555:10  Unique         2.33, 3.27 A)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#    0 AMB  10-2:556      0 AMB  10-1:556    4.50    (#    556:10  Double Ambig)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 396, 397, 363, 364,
 igr2= 368, 369, 368, 369,
 &end
#
#   71 ASN  HA           73 GLY  HN          4.50    (#    557:10  Unique         3.22, 3.71 A)
 &rst
  ixpk= 557, nxpk= 10, iat=1109,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:558     73 GLY  HN          4.50    (#    558:10  Single Ambig)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1123,1140,1141,
 &end
#
#   24 ILE  HA           24 ILE  HN          4.50    (#    559:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 559, nxpk= 10, iat= 375, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 PRO  HB-          26 LEU  HN          5.50    (#    560:10  Unique         2.94, 3.44 A)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 399, 400,
 &end
#
#   32 ARG  HA           33 ILE  HN          4.50    (#    561:10  Unique         3.49, 3.55 A)
 &rst
  ixpk= 561, nxpk= 10, iat= 517, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 VAL  HB           83 VAL  HN          4.50    (#    562:10  Unique         2.51, 3.43 A)
 &rst
  ixpk= 562, nxpk= 10, iat=1284,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:563     53 GLN  HN          4.50    (#    563:10  Single Ambig)
 &rst
  ixpk= 563, 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    (#    564:10  Unique         1.93, 2.90 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 844, 845,
 &end
#
#    0 AMB  10-2:565     53 GLN  HN          4.50    (#    565:10  Single Ambig)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 817, 818, 817, 818,
 &end
#
#    0 AMB  10-2:566     78 ILE  HN          5.50    (#    566:10  Single Ambig)
 &rst
  ixpk= 566, 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  10-2:568     66 TYR  HN          5.50    (#    568:10  Single Ambig)
 &rst
  ixpk= 568, 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
#
#   24 ILE  QG2          28 GLU  HN          5.50    (#    569:10  Unique         4.30, 5.52 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 379, 380, 381,
 &end
#
#    0 AMB  10-2:570     28 GLU  HN          4.50    (#    570:10  Single Ambig)
 &rst
  ixpk= 570, 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
#
#   73 GLY  HA+          71 ASN  HD2-        5.50    (#    571:10  Unique         2.87, 4.77 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1133,1134,
 igr2=1116,1117,
 &end
#
#   72 ALA  MB           73 GLY  HN          4.50    (#    572:10  Unique         2.66, 3.71 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1125,1126,1127,
 &end
#
#   70 GLU  HN           46 VAL  HN          5.50    (#    573:10  Unique         3.36, 3.55 A)
 &rst
  ixpk= 573, nxpk= 10, iat=1092, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:575      0 AMB  10-1:575    5.50    (#    575:10  Double Ambig)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 117, 936, 849, 850,
 igr2= 406, 985,
 &end
#
#   44 VAL  MGX          44 VAL  HN          5.50    (#    576:10  Unique         2.18, 4.18 A)
 &rst
  ixpk= 576, 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
#
#   68 HIS  HB+          44 VAL  HN          5.50    (#    577:10  Unique         3.65, 4.11 A)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#    3 HIS  HB-          45 LYS  HN          5.50    (#    578:10  Unique         4.03, 4.72 A)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  33,  34,
 &end
#
#    6 ASP  HA            6 ASP  HN          5.50    (#    579:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  91,  89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  HN            6 ASP  HN          5.50    (#    580:10  Unique         3.25, 3.55 A)
 &rst
  ixpk= 580, nxpk= 10, iat= 373,  89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:581     70 GLU  HN          5.50    (#    581:10  Single Ambig)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1099,1100,1099,1100,
 &end
#
#    0 AMB  10-2:582     70 GLU  HN          5.50    (#    582:10  Single Ambig)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 702, 703, 704, 706, 707, 708, 719, 720,
 &end
#
#   78 ILE  QD1          75 LEU  HN          5.50    (#    584:10  Unique         2.63, 5.20 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#   75 LEU  MDY          75 LEU  HN          5.50    (#    585:10  Unique         4.25, 5.18 A)
 &rst
  ixpk= 585, 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
#
#    0 AMB  10-2:586     34 ALA  HN          5.50    (#    586:10  Single Ambig)
 &rst
  ixpk= 586, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  10-2:587      8 ARG  HN          5.50    (#    587:10  Single Ambig)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 117, 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
#
#   22 ILE  QG2          22 ILE  HN          5.50    (#    589:10  Unique         2.33, 4.11 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 346, 347, 348,
 &end
#
#   22 ILE  HG1-         22 ILE  HN          4.50    (#    590:10  Unique         1.90, 2.70 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351,
 &end
#
#    0 AMB  10-2:591     22 ILE  HN          5.50    (#    591:10  Single Ambig)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  83,  84,  85,  76,  77,  78,
 &end
#
#    4 TRP  HB-          22 ILE  HN          5.50    (#    592:10  Unique         3.96, 4.71 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#   40 LYS  HA           42 ASP  HN          5.50    (#    593:10  Unique         3.28, 3.54 A)
 &rst
  ixpk= 593, nxpk= 10, iat= 636, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  MGX          57 ALA  HN          5.50    (#    594:10  Unique         3.35, 5.34 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1, 889, 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     57 ALA  HN          5.50    (#    595:10  Single Ambig)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 107, 108, 109, 111, 112, 113, 740, 741, 742, 744,
       745, 746, 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  10-2:596      3 HIS  HN          4.50    (#    596:10  Single Ambig)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  21,  22,  21,  22,
 &end
#
#   43 THR  MG2           3 HIS  HN          5.50    (#    597:10  Unique         3.76, 5.25 A)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 688, 689, 690,
 &end
#
#    0 AMB  10-2:598      3 HIS  HN          5.50    (#    598:10  Single Ambig)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 702, 703, 704, 706, 707, 708, 722, 723,
 &end
#
#   75 LEU  MDY          18 VAL  HN          5.50    (#    599:10  Unique         1.88, 4.27 A)
 &rst
  ixpk= 599, 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  10-2:601     71 ASN  HN          5.50    (#    601:10  Single Ambig)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  10-2:602     71 ASN  HN          5.50    (#    602:10  Single Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1099,1100,1099,1100,
 &end
#
#   65 GLY  HA+          66 TYR  HN          5.50    (#    603:10  Unique         2.69, 3.32 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1019,1020,
 &end
#
#    0 AMB  10-2:604     66 TYR  HN          5.50    (#    604:10  Single Ambig)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 957, 978, 979, 978, 979,
 &end
#
#   55 GLY  HN           54 SER  HN          5.50    (#    606:10  Unique         2.47, 2.66 A)
 &rst
  ixpk= 606, nxpk= 10, iat= 865, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  MGX          54 SER  HN          5.50    (#    608:10  Unique         3.85, 6.12 A)
 &rst
  ixpk= 608, 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
#
#   56 GLN  HG+          54 SER  HN          5.50    (#    609:10  Unique         5.00, 6.06 A)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 879, 880,
 &end
#
#   54 SER  HB-          54 SER  HN          5.50    (#    610:10  Unique         2.45, 3.17 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 858, 859,
 &end
#
#    0 AMB  10-2:611     59 GLU  HN          5.50    (#    611:10  Single Ambig)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 940, 946, 947, 959, 960,
 &end
#
#   58 LYS  HG+          59 GLU  HN          5.50    (#    612:10  Unique         4.34, 4.76 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 906, 907,
 &end
#
#   18 VAL  HA           83 VAL  HN          5.50    (#    614:10  Unique         3.41, 3.99 A)
 &rst
  ixpk= 614, nxpk= 10, iat= 292,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HN           47 TYR  HN          5.50    (#    615:10  Unique         3.15, 3.53 A)
 &rst
  ixpk= 615, nxpk= 10, iat= 101, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   10 PRO  HA           14 GLN  HN          5.50    (#    618:10  Unique         3.85, 4.52 A)
 &rst
  ixpk= 618, nxpk= 10, iat= 167, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HA           39 ASP  HN          5.50    (#    622:10  Unique         3.35, 3.55 A)
 &rst
  ixpk= 622, nxpk= 10, iat= 618, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:623      7 VAL  HN          5.50    (#    623:10  Single Ambig)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 124, 125, 738,  74,
 &end
#
#    0 AMB  10-2:624      7 VAL  HN          5.50    (#    624:10  Single Ambig)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 121, 122, 105,
 &end
#
#    0 AMB  10-2:625     85 GLY  HN          5.50    (#    625:10  Single Ambig)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1303,1304,1303,1304,
 &end
#
#   64 MET  HN           62 SER  HN          5.50    (#    626:10  Unique         3.88, 4.05 A)
 &rst
  ixpk= 626, nxpk= 10, iat=1000, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 LYS  HA           62 SER  HN          5.50    (#    627:10  Unique         4.00, 4.18 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 901, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:628     62 SER  HN          5.50    (#    628:10  Single Ambig)
 &rst
  ixpk= 628, 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
#
#   61 LEU  HG           62 SER  HN          5.50    (#    629:10  Unique         4.50, 4.59 A)
 &rst
  ixpk= 629, nxpk= 10, iat= 962, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   40 LYS  HB+          41 ASN  HN          5.50    (#    630:10  Unique         3.27, 4.26 A)
 &rst
  ixpk= 630, 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          5.50    (#    631:10  Unique         3.27, 4.26 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#   45 LYS  HB-          46 VAL  HN          5.50    (#    632:10  Unique         3.37, 4.06 A)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 716, 717,
 &end
#
#    0 AMB  10-2:633     46 VAL  HN          5.50    (#    633:10  Single Ambig)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 702, 703, 704, 706, 707, 708, 719, 720,
 &end
#
#   41 ASN  HB+          41 ASN  HD2-        5.50    (#    634:10  Unique         2.23, 3.39 A)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#    0 AMB  10-2:635      0 AMB  10-1:635    5.50    (#    635:10  Double Ambig)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1154,1155,1156,1158,1159,1160,1286,1287,1288,1290,
      1291,1292,
 igr2=1164, 323,
 &end
#
#    0 AMB  10-2:636     76 LYS  HN          5.50    (#    636:10  Single Ambig)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1154,1155,1156,1158,1159,1160,1208,1209,
 &end
#
#   83 VAL  MGX          17 HIS  HN          5.50    (#    637:10  Unique         3.32, 5.33 A)
 &rst
  ixpk= 637, 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  10-2:638     17 HIS  HN          5.50    (#    638:10  Single Ambig)
 &rst
  ixpk= 638, 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
#
#   30 LYS  HG-          30 LYS  HN          5.50    (#    639:10  Unique         2.05, 3.52 A)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 485, 486,
 &end
#
#   17 HIS  HB+          17 HIS  HN          5.50    (#    640:10  Unique         2.33, 3.49 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 277, 278,
 &end
#
#   26 LEU  MDY          27 LYS  HN          5.50    (#    641:10  Unique         3.30, 5.43 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#   26 LEU  MDX          27 LYS  HN          5.50    (#    642:10  Unique         3.30, 5.43 A)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#   66 TYR  HB-          67 THR  HN          5.50    (#    644:10  Unique         2.61, 3.70 A)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1028,1029,
 &end
#
#   53 GLN  HG-          53 GLN  HE2-        5.50    (#    645:10  Unique         2.26, 3.37 A)
 &rst
  ixpk= 645, 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    (#    646:10  Unique         2.26, 3.37 A)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#   12 GLN  HG+          12 GLN  HE2-        5.50    (#    647:10  Unique         2.20, 3.28 A)
 &rst
  ixpk= 647, 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  10-2:648     12 GLN  HE2-        5.50    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 193, 194,  93,  94,
 igr2= 198, 199,
 &end
#
#    0 AMB  10-2:650      9 VAL  HN          5.50    (#    650:10  Single Ambig)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 396, 397, 410, 411,
 &end
#
#    0 AMB  10-2:652     23 ASN  HD2-        5.50    (#    652:10  Single Ambig)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 396, 397, 363, 364,
 igr2= 368, 369,
 &end
#
#   23 ASN  HB-          23 ASN  HD2-        5.50    (#    653:10  Unique         2.42, 3.50 A)
 &rst
  ixpk= 653, 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    (#    654:10  Unique         2.42, 3.50 A)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 368, 369,
 &end
#
#    6 ASP  HB+          23 ASN  HD2-        5.50    (#    655:10  Unique         2.73, 4.50 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  93,  94,
 igr2= 368, 369,
 &end
#
#   78 ILE  QG2          79 ALA  HN          4.50    (#    656:10  Unique         2.28, 3.74 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,1217, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1204,1205,1206,
 &end
#
#   79 ALA  MB           79 ALA  HN          4.50    (#    657:10  Unique         2.44, 2.93 A)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1,1217, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1221,1222,1223,
 &end
#
#   78 ILE  HA           79 ALA  HN          3.50    (#    658:10  Unique         2.13, 2.18 A)
 &rst
  ixpk= 658, nxpk= 10, iat=1200,1217, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 ALA  HA           79 ALA  HN          4.50    (#    659:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 659, nxpk= 10, iat=1219,1217, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HA           73 GLY  HN          5.50    (#    662:10  Unique         2.45, 3.74 A)
 &rst
  ixpk= 662, nxpk= 10, iat= 752,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:663     65 GLY  HN          5.50    (#    663:10  Single Ambig)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 976,1026,
 &end
#
#   64 MET  HA           65 GLY  HN          5.50    (#    664:10  Unique         3.28, 3.44 A)
 &rst
  ixpk= 664, nxpk= 10, iat=1002,1017, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   63 GLU  HA           65 GLY  HN          5.50    (#    665:10  Unique         3.50, 3.71 A)
 &rst
  ixpk= 665, nxpk= 10, iat= 987,1017, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1  -0.290   1.326  -0.591
    2    H2   ALA   1           H2       ALA   1  -1.728   1.204  -1.351
    3    H3   ALA   1           H3       ALA   1  -1.149  -0.117  -0.470
    4    HA   ALA   1           HA       ALA   1   0.742  -0.187  -2.011
    5    HB1  ALA   1           HB1      ALA   1  -1.191  -1.665  -2.393
    6    HB2  ALA   1           HB2      ALA   1  -2.041  -0.354  -3.260
    7    HB3  ALA   1           HB3      ALA   1  -0.556  -1.068  -3.937
    8    H    GLU   2           H        GLU   2   0.691   0.462  -4.633
    9    HA   GLU   2           HA       GLU   2   0.093   3.315  -4.768
   10    HB2  GLU   2           HB2      GLU   2   2.750   1.964  -5.345
   11    HB3  GLU   2           HB3      GLU   2   2.352   3.628  -5.800
   12    HG2  GLU   2           HG2      GLU   2   2.816   4.512  -3.884
   13    HG3  GLU   2           HG3      GLU   2   2.192   3.200  -2.880
   14    H    HIS   3           H        HIS   3   0.042   3.982  -6.884
   15    HA   HIS   3           HA       HIS   3   0.589   2.006  -9.031
   16    HB2  HIS   3           HB2      HIS   3  -1.737   3.903  -8.616
   17    HB3  HIS   3           HB3      HIS   3  -1.205   3.548 -10.272
   18    HD1  HIS   3           HD1      HIS   3  -2.777   2.004  -7.212
   19    HD2  HIS   3           HD2      HIS   3  -1.625   0.960 -11.164
   20    HE1  HIS   3           HE1      HIS   3  -3.878  -0.207  -7.740
   21    H    TRP   4           H        TRP   4   1.522   2.839 -10.755
   22    HA   TRP   4           HA       TRP   4   2.486   5.628 -10.563
   23    HB2  TRP   4           HB2      TRP   4   3.677   3.036 -11.519
   24    HB3  TRP   4           HB3      TRP   4   4.331   4.652 -11.755
   25    HD1  TRP   4           HD1      TRP   4   2.833   3.059  -8.292
   26    HE1  TRP   4           HE1      TRP   4   4.282   4.159  -6.494
   27    HE3  TRP   4           HE3      TRP   4   6.382   4.164 -11.134
   28    HZ2  TRP   4           HZ2      TRP   4   7.317   3.449  -6.833
   29    HZ3  TRP   4           HZ3      TRP   4   8.096   3.293  -9.545
   30    HH2  TRP   4           HH2      TRP   4   6.762   1.265  -8.038
   31    H    ILE   5           H        ILE   5   2.443   6.900 -12.354
   32    HA   ILE   5           HA       ILE   5   1.112   5.726 -14.754
   33    HB   ILE   5           HB       ILE   5   0.337   8.324 -13.446
   34   HG12  ILE   5          HG12      ILE   5  -0.279   6.559 -11.833
   35   HG13  ILE   5          HG13      ILE   5  -1.577   7.562 -12.438
   36   HG21  ILE   5          HG21      ILE   5  -0.138   8.218 -15.799
   37   HG22  ILE   5          HG22      ILE   5  -0.938   6.654 -15.635
   38   HG23  ILE   5          HG23      ILE   5  -1.667   8.121 -14.922
   39   HD11  ILE   5          HD11      ILE   5  -2.441   5.732 -13.788
   40   HD12  ILE   5          HD12      ILE   5  -1.100   4.683 -13.243
   41   HD13  ILE   5          HD13      ILE   5  -2.268   5.314 -12.073
   42    H    ASP   6           H        ASP   6   2.104   6.345 -16.528
   43    HA   ASP   6           HA       ASP   6   4.084   8.574 -16.569
   44    HB2  ASP   6           HB2      ASP   6   4.746   6.596 -17.804
   45    HB3  ASP   6           HB3      ASP   6   3.169   6.400 -18.503
   46    H    VAL   7           H        VAL   7   3.203  10.577 -16.982
   47    HA   VAL   7           HA       VAL   7   0.537  10.637 -18.317
   48    HB   VAL   7           HB       VAL   7   0.004  12.645 -17.091
   49   HG11  VAL   7          HG11      VAL   7  -0.606  10.496 -16.098
   50   HG12  VAL   7          HG12      VAL   7   0.953  10.411 -15.244
   51   HG13  VAL   7          HG13      VAL   7  -0.221  11.678 -14.842
   52   HG21  VAL   7          HG21      VAL   7   2.677  12.285 -15.666
   53   HG22  VAL   7          HG22      VAL   7   2.251  13.619 -16.772
   54   HG23  VAL   7          HG23      VAL   7   1.390  13.420 -15.243
   55    H    ARG   8           H        ARG   8   3.245  10.681 -19.644
   56    HA   ARG   8           HA       ARG   8   2.827  13.267 -21.081
   57    HB2  ARG   8           HB2      ARG   8   5.155  12.353 -19.967
   58    HB3  ARG   8           HB3      ARG   8   5.260  11.624 -21.571
   59    HG2  ARG   8           HG2      ARG   8   4.710  13.969 -22.506
   60    HG3  ARG   8           HG3      ARG   8   4.913  14.564 -20.851
   61    HD2  ARG   8           HD2      ARG   8   7.190  13.661 -20.791
   62    HD3  ARG   8           HD3      ARG   8   7.003  12.986 -22.438
   63    HE   ARG   8           HE       ARG   8   6.477  15.826 -21.768
   64   HH11  ARG   8          HH11      ARG   8   8.424  13.578 -23.824
   65   HH12  ARG   8          HH12      ARG   8   9.036  14.879 -24.790
   66   HH21  ARG   8          HH21      ARG   8   7.180  17.325 -22.882
   67   HH22  ARG   8          HH22      ARG   8   8.301  17.186 -24.206
   68    H    VAL   9           H        VAL   9   3.823  12.798 -23.495
   69    HA   VAL   9           HA       VAL   9   1.947  11.154 -24.834
   70    HB   VAL   9           HB       VAL   9   3.567  11.527 -26.791
   71   HG11  VAL   9          HG11      VAL   9   1.612  12.941 -26.396
   72   HG12  VAL   9          HG12      VAL   9   2.537  13.965 -25.269
   73   HG13  VAL   9          HG13      VAL   9   2.970  13.902 -26.992
   74   HG21  VAL   9          HG21      VAL   9   5.031  13.349 -24.816
   75   HG22  VAL   9          HG22      VAL   9   5.675  11.861 -25.537
   76   HG23  VAL   9          HG23      VAL   9   5.289  13.248 -26.562
   77    HA   PRO  10           HA       PRO  10   3.738   7.125 -24.530
   78    HB2  PRO  10           HB2      PRO  10   3.470   6.538 -27.404
   79    HB3  PRO  10           HB3      PRO  10   2.580   5.851 -26.017
   80    HG2  PRO  10           HG2      PRO  10   1.654   7.761 -27.942
   81    HG3  PRO  10           HG3      PRO  10   0.803   7.199 -26.469
   82    HD2  PRO  10           HD2      PRO  10   2.033   9.773 -26.972
   83    HD3  PRO  10           HD3      PRO  10   1.114   9.227 -25.538
   84    H    GLU  11           H        GLU  11   5.032   9.433 -26.756
   85    HA   GLU  11           HA       GLU  11   7.075   8.113 -27.996
   86    HB2  GLU  11           HB2      GLU  11   6.041  10.639 -27.807
   87    HB3  GLU  11           HB3      GLU  11   7.509  10.877 -26.829
   88    HG2  GLU  11           HG2      GLU  11   8.898  10.005 -28.563
   89    HG3  GLU  11           HG3      GLU  11   7.486   9.474 -29.530
   90    H    GLN  12           H        GLN  12   7.049   9.429 -24.659
   91    HA   GLN  12           HA       GLN  12   9.866   8.720 -24.304
   92    HB2  GLN  12           HB2      GLN  12   9.603   9.232 -22.037
   93    HB3  GLN  12           HB3      GLN  12   8.903  10.524 -23.004
   94    HG2  GLN  12           HG2      GLN  12   6.783  10.205 -22.186
   95    HG3  GLN  12           HG3      GLN  12   6.950   8.483 -21.929
   96   HE21  GLN  12          HE22      GLN  12   6.989   8.009 -19.815
   97   HE22  GLN  12          HE21      GLN  12   7.743   8.924 -18.571
   98    H    TYR  13           H        TYR  13   6.701   7.249 -23.610
   99    HA   TYR  13           HA       TYR  13   7.529   5.133 -22.013
  100    HB2  TYR  13           HB2      TYR  13   5.202   6.022 -22.602
  101    HB3  TYR  13           HB3      TYR  13   5.256   5.058 -24.064
  102    HD1  TYR  13           HD1      TYR  13   5.161   2.430 -23.819
  103    HD2  TYR  13           HD2      TYR  13   4.894   5.203 -20.505
  104    HE1  TYR  13           HE1      TYR  13   4.136   0.654 -22.403
  105    HE2  TYR  13           HE2      TYR  13   3.916   3.549 -19.153
  106    HH   TYR  13           HH       TYR  13   3.486   1.900 -18.919
  107    H    GLN  14           H        GLN  14   7.451   5.406 -25.523
  108    HA   GLN  14           HA       GLN  14   7.988   2.713 -26.238
  109    HB2  GLN  14           HB2      GLN  14   8.733   5.379 -27.555
  110    HB3  GLN  14           HB3      GLN  14   9.013   3.804 -28.318
  111    HG2  GLN  14           HG2      GLN  14   6.350   5.048 -27.635
  112    HG3  GLN  14           HG3      GLN  14   7.042   4.802 -29.237
  113   HE21  GLN  14          HE22      GLN  14   4.872   3.628 -27.082
  114   HE22  GLN  14          HE21      GLN  14   4.780   1.968 -27.704
  115    H    GLN  15           H        GLN  15  10.251   5.316 -25.202
  116    HA   GLN  15           HA       GLN  15  12.474   3.524 -26.009
  117    HB2  GLN  15           HB2      GLN  15  13.890   5.406 -25.057
  118    HB3  GLN  15           HB3      GLN  15  13.099   5.486 -26.650
  119    HG2  GLN  15           HG2      GLN  15  11.306   6.888 -25.557
  120    HG3  GLN  15           HG3      GLN  15  12.342   6.975 -24.114
  121   HE21  GLN  15          HE22      GLN  15  11.549   8.998 -25.823
  122   HE22  GLN  15          HE21      GLN  15  12.949   9.653 -26.694
  123    H    GLU  16           H        GLU  16  11.150   5.070 -23.001
  124    HA   GLU  16           HA       GLU  16  11.538   2.589 -21.731
  125    HB2  GLU  16           HB2      GLU  16  13.069   3.162 -19.957
  126    HB3  GLU  16           HB3      GLU  16  13.882   3.348 -21.496
  127    HG2  GLU  16           HG2      GLU  16  12.857   5.900 -21.115
  128    HG3  GLU  16           HG3      GLU  16  13.117   5.369 -19.451
  129    H    HIS  17           H        HIS  17  10.371   2.463 -19.783
  130    HA   HIS  17           HA       HIS  17   9.206   4.933 -18.681
  131    HB2  HIS  17           HB2      HIS  17   6.985   3.876 -18.482
  132    HB3  HIS  17           HB3      HIS  17   7.467   4.100 -20.152
  133    HD1  HIS  17           HD1      HIS  17   8.056   1.925 -21.600
  134    HD2  HIS  17           HD2      HIS  17   6.431   1.247 -17.778
  135    HE1  HIS  17           HE1      HIS  17   7.351  -0.506 -21.529
  136    H    VAL  18           H        VAL  18   8.620   4.668 -16.523
  137    HA   VAL  18           HA       VAL  18  10.196   2.944 -14.878
  138    HB   VAL  18           HB       VAL  18   7.656   4.574 -14.493
  139   HG11  VAL  18          HG11      VAL  18   7.649   2.866 -12.781
  140   HG12  VAL  18          HG12      VAL  18   9.349   3.230 -12.371
  141   HG13  VAL  18          HG13      VAL  18   8.097   4.462 -12.131
  142   HG21  VAL  18          HG21      VAL  18  10.553   5.017 -13.620
  143   HG22  VAL  18          HG22      VAL  18   9.756   5.878 -14.953
  144   HG23  VAL  18          HG23      VAL  18   9.188   6.115 -13.305
  145    H    GLN  19           H        GLN  19   9.906   0.918 -14.264
  146    HA   GLN  19           HA       GLN  19   8.208  -0.809 -15.751
  147    HB2  GLN  19           HB2      GLN  19  10.434  -1.323 -14.716
  148    HB3  GLN  19           HB3      GLN  19   9.734  -1.162 -13.108
  149    HG2  GLN  19           HG2      GLN  19   8.686  -3.190 -15.113
  150    HG3  GLN  19           HG3      GLN  19  10.124  -3.478 -14.123
  151   HE21  GLN  19          HE22      GLN  19   6.604  -2.631 -13.652
  152   HE22  GLN  19          HE21      GLN  19   6.515  -3.524 -12.157
  153    H    GLY  20           H        GLY  20   5.904  -0.522 -15.382
  154    HA2  GLY  20           HA2      GLY  20   4.276  -1.639 -13.792
  155    HA3  GLY  20           HA3      GLY  20   5.073  -0.720 -12.501
  156    H    ALA  21           H        ALA  21   5.432   1.440 -14.840
  157    HA   ALA  21           HA       ALA  21   3.029   2.876 -14.105
  158    HB1  ALA  21           HB1      ALA  21   5.154   4.056 -14.434
  159    HB2  ALA  21           HB2      ALA  21   5.235   3.457 -16.113
  160    HB3  ALA  21           HB3      ALA  21   3.945   4.590 -15.637
  161    H    ILE  22           H        ILE  22   1.644   3.757 -15.751
  162    HA   ILE  22           HA       ILE  22   1.312   2.224 -18.261
  163    HB   ILE  22           HB       ILE  22  -1.250   2.945 -17.744
  164   HG12  ILE  22          HG12      ILE  22  -0.186   2.204 -14.974
  165   HG13  ILE  22          HG13      ILE  22  -0.917   3.753 -15.440
  166   HG21  ILE  22          HG21      ILE  22  -0.362   0.776 -18.440
  167   HG22  ILE  22          HG22      ILE  22   0.146   0.448 -16.748
  168   HG23  ILE  22          HG23      ILE  22  -1.581   0.571 -17.199
  169   HD11  ILE  22          HD11      ILE  22  -3.057   2.495 -15.928
  170   HD12  ILE  22          HD12      ILE  22  -2.307   1.029 -15.263
  171   HD13  ILE  22          HD13      ILE  22  -2.531   2.417 -14.223
  172    H    ASN  23           H        ASN  23   0.844   3.529 -20.012
  173    HA   ASN  23           HA       ASN  23   1.401   6.377 -19.679
  174    HB2  ASN  23           HB2      ASN  23   2.322   5.219 -21.621
  175    HB3  ASN  23           HB3      ASN  23   0.705   4.714 -22.138
  176   HD21  ASN  23          HD22      ASN  23   2.658   7.660 -21.409
  177   HD22  ASN  23          HD21      ASN  23   1.762   8.731 -22.434
  178    H    ILE  24           H        ILE  24  -0.113   7.726 -19.041
  179    HA   ILE  24           HA       ILE  24  -2.806   7.643 -20.254
  180    HB   ILE  24           HB       ILE  24  -2.376   8.033 -17.261
  181   HG12  ILE  24          HG12      ILE  24  -3.278   5.606 -18.859
  182   HG13  ILE  24          HG13      ILE  24  -1.983   5.713 -17.654
  183   HG21  ILE  24          HG21      ILE  24  -4.248   9.302 -18.302
  184   HG22  ILE  24          HG22      ILE  24  -4.841   7.760 -18.967
  185   HG23  ILE  24          HG23      ILE  24  -4.844   8.053 -17.213
  186   HD11  ILE  24          HD11      ILE  24  -3.677   6.029 -15.888
  187   HD12  ILE  24          HD12      ILE  24  -4.963   5.827 -17.114
  188   HD13  ILE  24          HD13      ILE  24  -3.853   4.499 -16.788
  189    HA   PRO  25           HA       PRO  25  -0.231  11.395 -20.730
  190    HB2  PRO  25           HB2      PRO  25  -2.370  11.987 -22.779
  191    HB3  PRO  25           HB3      PRO  25  -0.595  12.222 -22.896
  192    HG2  PRO  25           HG2      PRO  25  -1.770  10.077 -24.072
  193    HG3  PRO  25           HG3      PRO  25  -0.232   9.873 -23.179
  194    HD2  PRO  25           HD2      PRO  25  -3.036   9.267 -22.242
  195    HD3  PRO  25           HD3      PRO  25  -1.544   8.306 -22.037
  196    H    LEU  26           H        LEU  26  -0.393  13.550 -20.168
  197    HA   LEU  26           HA       LEU  26  -2.028  14.376 -18.183
  198    HB2  LEU  26           HB2      LEU  26   0.025  15.507 -18.852
  199    HB3  LEU  26           HB3      LEU  26  -0.685  16.000 -20.390
  200    HG   LEU  26           HG       LEU  26  -2.276  17.500 -19.219
  201   HD11  LEU  26          HD11      LEU  26  -2.398  16.323 -17.038
  202   HD12  LEU  26          HD12      LEU  26  -0.700  16.759 -16.716
  203   HD13  LEU  26          HD13      LEU  26  -1.943  18.032 -16.854
  204   HD21  LEU  26          HD21      LEU  26   0.606  17.910 -18.346
  205   HD22  LEU  26          HD22      LEU  26  -0.119  18.423 -19.907
  206   HD23  LEU  26          HD23      LEU  26  -0.664  19.152 -18.386
  207    H    LYS  27           H        LYS  27  -2.760  14.712 -21.613
  208    HA   LYS  27           HA       LYS  27  -4.960  16.513 -21.346
  209    HB2  LYS  27           HB2      LYS  27  -4.303  14.423 -23.503
  210    HB3  LYS  27           HB3      LYS  27  -5.485  15.735 -23.601
  211    HG2  LYS  27           HG2      LYS  27  -3.127  17.016 -22.591
  212    HG3  LYS  27           HG3      LYS  27  -2.495  15.800 -23.751
  213    HD2  LYS  27           HD2      LYS  27  -4.138  16.547 -25.402
  214    HD3  LYS  27           HD3      LYS  27  -4.842  17.711 -24.180
  215    HE2  LYS  27           HE2      LYS  27  -3.088  18.989 -24.007
  216    HE3  LYS  27           HE3      LYS  27  -1.888  17.705 -24.418
  217    HZ1  LYS  27           HZ1      LYS  27  -2.434  17.884 -26.614
  218    HZ2  LYS  27           HZ2      LYS  27  -3.772  18.832 -26.306
  219    HZ3  LYS  27           HZ3      LYS  27  -2.233  19.439 -26.009
  220    H    GLU  28           H        GLU  28  -4.755  13.213 -20.590
  221    HA   GLU  28           HA       GLU  28  -7.702  12.876 -20.917
  222    HB2  GLU  28           HB2      GLU  28  -5.475  10.846 -21.380
  223    HB3  GLU  28           HB3      GLU  28  -7.240  10.729 -21.558
  224    HG2  GLU  28           HG2      GLU  28  -7.162  12.507 -23.306
  225    HG3  GLU  28           HG3      GLU  28  -5.391  12.321 -23.304
  226    H    VAL  29           H        VAL  29  -4.962  12.724 -18.801
  227    HA   VAL  29           HA       VAL  29  -5.519  10.614 -17.147
  228    HB   VAL  29           HB       VAL  29  -3.522  12.226 -17.234
  229   HG11  VAL  29          HG11      VAL  29  -4.666  14.358 -16.765
  230   HG12  VAL  29          HG12      VAL  29  -5.128  13.779 -15.152
  231   HG13  VAL  29          HG13      VAL  29  -3.425  14.011 -15.561
  232   HG21  VAL  29          HG21      VAL  29  -4.552  11.278 -14.542
  233   HG22  VAL  29          HG22      VAL  29  -3.618  10.335 -15.723
  234   HG23  VAL  29          HG23      VAL  29  -2.871  11.720 -14.921
  235    H    LYS  30           H        LYS  30  -7.158  13.697 -17.230
  236    HA   LYS  30           HA       LYS  30  -8.383  13.692 -14.714
  237    HB2  LYS  30           HB2      LYS  30  -8.232  15.403 -16.731
  238    HB3  LYS  30           HB3      LYS  30  -9.751  14.625 -17.247
  239    HG2  LYS  30           HG2      LYS  30 -10.787  15.177 -15.091
  240    HG3  LYS  30           HG3      LYS  30  -9.251  15.860 -14.495
  241    HD2  LYS  30           HD2      LYS  30  -9.163  17.501 -16.248
  242    HD3  LYS  30           HD3      LYS  30 -10.528  16.717 -17.138
  243    HE2  LYS  30           HE2      LYS  30 -12.007  17.090 -15.313
  244    HE3  LYS  30           HE3      LYS  30 -10.688  17.843 -14.350
  245    HZ1  LYS  30           HZ1      LYS  30 -10.515  19.525 -16.042
  246    HZ2  LYS  30           HZ2      LYS  30 -11.702  18.821 -16.941
  247    HZ3  LYS  30           HZ3      LYS  30 -12.064  19.465 -15.453
  248    H    GLU  31           H        GLU  31  -9.277  11.877 -17.634
  249    HA   GLU  31           HA       GLU  31 -11.793  10.984 -16.280
  250    HB2  GLU  31           HB2      GLU  31 -10.817  10.826 -19.175
  251    HB3  GLU  31           HB3      GLU  31 -12.331  10.127 -18.552
  252    HG2  GLU  31           HG2      GLU  31 -12.625  12.591 -17.517
  253    HG3  GLU  31           HG3      GLU  31 -11.446  13.016 -18.773
  254    H    ARG  32           H        ARG  32  -8.762   9.873 -17.720
  255    HA   ARG  32           HA       ARG  32  -9.593   7.096 -17.547
  256    HB2  ARG  32           HB2      ARG  32  -7.015   8.599 -18.118
  257    HB3  ARG  32           HB3      ARG  32  -7.110   6.801 -18.180
  258    HG2  ARG  32           HG2      ARG  32  -8.853   6.821 -19.704
  259    HG3  ARG  32           HG3      ARG  32  -9.182   8.543 -19.655
  260    HD2  ARG  32           HD2      ARG  32  -7.670   8.955 -21.200
  261    HD3  ARG  32           HD3      ARG  32  -6.321   8.305 -20.183
  262    HE   ARG  32           HE       ARG  32  -8.011   6.349 -20.961
  263   HH11  ARG  32          HH11      ARG  32  -5.882   8.498 -22.776
  264   HH12  ARG  32          HH12      ARG  32  -5.622   7.385 -23.997
  265   HH21  ARG  32          HH21      ARG  32  -7.970   5.131 -22.236
  266   HH22  ARG  32          HH22      ARG  32  -7.011   5.126 -23.685
  267    H    ILE  33           H        ILE  33  -8.086   9.256 -15.255
  268    HA   ILE  33           HA       ILE  33  -6.710   7.309 -13.789
  269    HB   ILE  33           HB       ILE  33  -6.568   9.743 -13.394
  270   HG12  ILE  33          HG12      ILE  33  -6.593   9.675 -10.882
  271   HG13  ILE  33          HG13      ILE  33  -7.353   8.099 -10.953
  272   HG21  ILE  33          HG21      ILE  33  -8.956  10.369 -13.617
  273   HG22  ILE  33          HG22      ILE  33  -9.336   9.504 -12.115
  274   HG23  ILE  33          HG23      ILE  33  -8.301  10.925 -12.081
  275   HD11  ILE  33          HD11      ILE  33  -5.348   7.207 -12.164
  276   HD12  ILE  33          HD12      ILE  33  -4.622   8.831 -12.115
  277   HD13  ILE  33          HD13      ILE  33  -4.922   7.931 -10.612
  278    H    ALA  34           H        ALA  34 -10.216   7.925 -14.026
  279    HA   ALA  34           HA       ALA  34 -10.954   6.545 -11.652
  280    HB1  ALA  34           HB1      ALA  34 -12.459   8.088 -12.850
  281    HB2  ALA  34           HB2      ALA  34 -12.487   6.996 -14.256
  282    HB3  ALA  34           HB3      ALA  34 -13.201   6.477 -12.714
  283    H    THR  35           H        THR  35 -10.202   5.354 -14.943
  284    HA   THR  35           HA       THR  35 -11.089   2.646 -14.239
  285    HB   THR  35           HB       THR  35 -10.031   2.349 -16.671
  286    HG1  THR  35           HG1      THR  35 -10.345   4.291 -17.857
  287   HG21  THR  35          HG21      THR  35 -12.422   2.136 -16.109
  288   HG22  THR  35          HG22      THR  35 -12.607   3.902 -16.124
  289   HG23  THR  35          HG23      THR  35 -12.218   3.027 -17.628
  290    H    ALA  36           H        ALA  36  -8.100   4.528 -14.372
  291    HA   ALA  36           HA       ALA  36  -6.374   2.189 -14.317
  292    HB1  ALA  36           HB1      ALA  36  -5.667   4.324 -15.263
  293    HB2  ALA  36           HB2      ALA  36  -5.859   5.134 -13.694
  294    HB3  ALA  36           HB3      ALA  36  -4.613   3.884 -13.901
  295    H    VAL  37           H        VAL  37  -7.715   4.436 -11.881
  296    HA   VAL  37           HA       VAL  37  -6.836   2.648  -9.705
  297    HB   VAL  37           HB       VAL  37  -6.328   5.641  -9.579
  298   HG11  VAL  37          HG11      VAL  37  -6.672   4.451  -7.433
  299   HG12  VAL  37          HG12      VAL  37  -5.435   3.259  -7.871
  300   HG13  VAL  37          HG13      VAL  37  -4.992   4.950  -7.588
  301   HG21  VAL  37          HG21      VAL  37  -4.284   3.468 -10.156
  302   HG22  VAL  37          HG22      VAL  37  -4.776   4.767 -11.270
  303   HG23  VAL  37          HG23      VAL  37  -3.932   5.170  -9.776
  304    HA   PRO  38           HA       PRO  38 -11.220   4.019  -9.721
  305    HB2  PRO  38           HB2      PRO  38 -11.968   1.622  -8.261
  306    HB3  PRO  38           HB3      PRO  38 -12.348   2.082  -9.944
  307    HG2  PRO  38           HG2      PRO  38 -10.455   0.108  -8.995
  308    HG3  PRO  38           HG3      PRO  38 -10.840   0.554 -10.687
  309    HD2  PRO  38           HD2      PRO  38  -8.469   1.179  -9.159
  310    HD3  PRO  38           HD3      PRO  38  -8.846   1.597 -10.855
  311    H    ASP  39           H        ASP  39  -9.175   2.995  -7.026
  312    HA   ASP  39           HA       ASP  39 -11.019   4.307  -5.087
  313    HB2  ASP  39           HB2      ASP  39 -10.372   2.085  -4.401
  314    HB3  ASP  39           HB3      ASP  39  -8.659   2.445  -4.696
  315    H    LYS  40           H        LYS  40 -10.573   6.454  -5.304
  316    HA   LYS  40           HA       LYS  40  -7.932   7.364  -6.022
  317    HB2  LYS  40           HB2      LYS  40  -8.911   9.640  -5.146
  318    HB3  LYS  40           HB3      LYS  40  -9.400   8.850  -6.664
  319    HG2  LYS  40           HG2      LYS  40 -11.365   8.151  -5.926
  320    HG3  LYS  40           HG3      LYS  40 -11.039   8.533  -4.198
  321    HD2  LYS  40           HD2      LYS  40 -11.279  10.802  -4.484
  322    HD3  LYS  40           HD3      LYS  40 -10.476  10.843  -6.097
  323    HE2  LYS  40           HE2      LYS  40 -12.173   9.943  -7.230
  324    HE3  LYS  40           HE3      LYS  40 -12.990   9.307  -5.756
  325    HZ1  LYS  40           HZ1      LYS  40 -13.412  11.503  -5.086
  326    HZ2  LYS  40           HZ2      LYS  40 -12.680  12.143  -6.426
  327    HZ3  LYS  40           HZ3      LYS  40 -14.070  11.217  -6.600
  328    H    ASN  41           H        ASN  41  -8.919   6.232  -3.015
  329    HA   ASN  41           HA       ASN  41  -7.145   7.993  -1.493
  330    HB2  ASN  41           HB2      ASN  41  -9.228   7.103  -0.559
  331    HB3  ASN  41           HB3      ASN  41  -8.663   5.455  -0.878
  332   HD21  ASN  41          HD22      ASN  41  -6.824   7.798   1.604
  333   HD22  ASN  41          HD21      ASN  41  -6.428   6.268   2.046
  334    H    ASP  42           H        ASP  42  -6.808   5.203  -3.487
  335    HA   ASP  42           HA       ASP  42  -4.477   4.188  -2.180
  336    HB2  ASP  42           HB2      ASP  42  -5.834   2.953  -3.891
  337    HB3  ASP  42           HB3      ASP  42  -5.170   4.021  -5.127
  338    H    THR  43           H        THR  43  -2.224   4.458  -2.821
  339    HA   THR  43           HA       THR  43  -1.626   7.221  -3.304
  340    HB   THR  43           HB       THR  43   0.345   4.933  -3.321
  341    HG1  THR  43           HG1      THR  43   0.405   5.143  -1.109
  342   HG21  THR  43          HG21      THR  43   1.269   7.183  -3.823
  343   HG22  THR  43          HG22      THR  43   0.569   7.794  -2.307
  344   HG23  THR  43          HG23      THR  43   1.848   6.562  -2.265
  345    H    VAL  44           H        VAL  44  -1.113   8.210  -5.211
  346    HA   VAL  44           HA       VAL  44  -0.600   6.488  -7.595
  347    HB   VAL  44           HB       VAL  44  -2.147   9.100  -7.540
  348   HG11  VAL  44          HG11      VAL  44  -0.947   8.681  -9.670
  349   HG12  VAL  44          HG12      VAL  44  -1.674   7.058  -9.767
  350   HG13  VAL  44          HG13      VAL  44  -2.690   8.514  -9.884
  351   HG21  VAL  44          HG21      VAL  44  -3.191   6.276  -7.882
  352   HG22  VAL  44          HG22      VAL  44  -3.526   7.349  -6.517
  353   HG23  VAL  44          HG23      VAL  44  -4.146   7.768  -8.115
  354    H    LYS  45           H        LYS  45   1.387   6.902  -8.406
  355    HA   LYS  45           HA       LYS  45   2.726   9.496  -7.743
  356    HB2  LYS  45           HB2      LYS  45   3.745   6.686  -8.224
  357    HB3  LYS  45           HB3      LYS  45   4.808   8.097  -8.373
  358    HG2  LYS  45           HG2      LYS  45   4.269   8.813  -6.088
  359    HG3  LYS  45           HG3      LYS  45   3.144   7.451  -5.893
  360    HD2  LYS  45           HD2      LYS  45   4.939   5.885  -5.954
  361    HD3  LYS  45           HD3      LYS  45   6.145   7.129  -6.364
  362    HE2  LYS  45           HE2      LYS  45   5.205   8.123  -4.102
  363    HE3  LYS  45           HE3      LYS  45   4.387   6.536  -3.955
  364    HZ1  LYS  45           HZ1      LYS  45   6.447   5.432  -3.896
  365    HZ2  LYS  45           HZ2      LYS  45   7.292   6.879  -4.102
  366    HZ3  LYS  45           HZ3      LYS  45   6.377   6.577  -2.756
  367    H    VAL  46           H        VAL  46   2.832  10.834  -9.432
  368    HA   VAL  46           HA       VAL  46   2.603   9.682 -12.184
  369    HB   VAL  46           HB       VAL  46   1.896  11.999 -12.827
  370   HG11  VAL  46          HG11      VAL  46   0.230  10.242 -12.574
  371   HG12  VAL  46          HG12      VAL  46   0.111  10.547 -10.827
  372   HG13  VAL  46          HG13      VAL  46  -0.427  11.770 -11.997
  373   HG21  VAL  46          HG21      VAL  46   1.484  12.412  -9.830
  374   HG22  VAL  46          HG22      VAL  46   2.645  13.297 -10.855
  375   HG23  VAL  46          HG23      VAL  46   0.907  13.470 -11.116
  376    H    TYR  47           H        TYR  47   4.131  10.274 -13.699
  377    HA   TYR  47           HA       TYR  47   6.153  12.278 -13.041
  378    HB2  TYR  47           HB2      TYR  47   8.046  10.947 -13.353
  379    HB3  TYR  47           HB3      TYR  47   7.027  10.092 -12.179
  380    HD1  TYR  47           HD2      TYR  47   5.246   8.490 -13.231
  381    HD2  TYR  47           HD1      TYR  47   8.968   9.529 -15.118
  382    HE1  TYR  47           HE2      TYR  47   4.970   6.665 -14.636
  383    HE2  TYR  47           HE1      TYR  47   8.684   7.552 -16.619
  384    HH   TYR  47           HH       TYR  47   5.555   5.752 -15.957
  385    H    CYS  48           H        CYS  48   7.475  12.695 -15.051
  386    HA   CYS  48           HA       CYS  48   6.531  11.620 -17.579
  387    HB2  CYS  48           HB2      CYS  48   5.804  13.719 -18.518
  388    HB3  CYS  48           HB3      CYS  48   4.867  13.445 -17.042
  389    HG   CYS  48           HG       CYS  48   5.240  15.723 -17.226
  390    H    ASN  49           H        ASN  49   7.854  13.025 -19.338
  391    HA   ASN  49           HA       ASN  49  10.466  12.478 -18.844
  392    HB2  ASN  49           HB2      ASN  49   9.480  12.811 -21.095
  393    HB3  ASN  49           HB3      ASN  49   9.531  14.570 -20.844
  394   HD21  ASN  49          HD22      ASN  49  11.393  14.654 -22.732
  395   HD22  ASN  49          HD21      ASN  49  12.942  14.020 -22.162
  396    H    ALA  50           H        ALA  50   8.872  15.517 -18.004
  397    HA   ALA  50           HA       ALA  50  11.551  16.674 -17.302
  398    HB1  ALA  50           HB1      ALA  50  10.690  17.680 -19.331
  399    HB2  ALA  50           HB2      ALA  50   9.121  18.013 -18.537
  400    HB3  ALA  50           HB3      ALA  50  10.599  18.843 -17.995
  401    H    GLY  51           H        GLY  51   8.761  15.555 -15.864
  402    HA2  GLY  51           HA2      GLY  51   8.237  15.671 -13.629
  403    HA3  GLY  51           HA3      GLY  51   9.442  16.967 -13.418
  404    H    ARG  52           H        ARG  52   8.206  18.589 -15.545
  405    HA   ARG  52           HA       ARG  52   6.448  20.085 -13.946
  406    HB2  ARG  52           HB2      ARG  52   7.965  20.962 -15.487
  407    HB3  ARG  52           HB3      ARG  52   7.577  19.857 -16.789
  408    HG2  ARG  52           HG2      ARG  52   6.415  21.487 -17.722
  409    HG3  ARG  52           HG3      ARG  52   5.141  21.074 -16.564
  410    HD2  ARG  52           HD2      ARG  52   6.551  22.483 -14.847
  411    HD3  ARG  52           HD3      ARG  52   7.403  23.121 -16.309
  412    HE   ARG  52           HE       ARG  52   5.232  23.295 -17.307
  413   HH11  ARG  52          HH11      ARG  52   5.163  22.879 -13.799
  414   HH12  ARG  52          HH12      ARG  52   3.657  23.690 -13.587
  415   HH21  ARG  52          HH21      ARG  52   3.613  24.108 -17.292
  416   HH22  ARG  52          HH22      ARG  52   2.601  24.543 -15.942
  417    H    GLN  53           H        GLN  53   5.761  17.991 -16.762
  418    HA   GLN  53           HA       GLN  53   2.970  18.661 -16.764
  419    HB2  GLN  53           HB2      GLN  53   4.333  16.328 -18.200
  420    HB3  GLN  53           HB3      GLN  53   2.723  16.931 -18.481
  421    HG2  GLN  53           HG2      GLN  53   3.770  19.226 -18.872
  422    HG3  GLN  53           HG3      GLN  53   5.365  18.475 -18.667
  423   HE21  GLN  53          HE22      GLN  53   2.474  18.385 -20.789
  424   HE22  GLN  53          HE21      GLN  53   3.461  18.022 -22.186
  425    H    SER  54           H        SER  54   4.840  16.072 -15.128
  426    HA   SER  54           HA       SER  54   2.485  14.760 -14.152
  427    HB2  SER  54           HB2      SER  54   4.329  14.084 -12.361
  428    HB3  SER  54           HB3      SER  54   4.258  13.407 -13.998
  429    HG   SER  54           HG       SER  54   6.362  14.201 -13.234
  430    H    GLY  55           H        GLY  55   4.454  17.533 -13.034
  431    HA2  GLY  55           HA2      GLY  55   3.119  18.033 -10.594
  432    HA3  GLY  55           HA3      GLY  55   3.807  19.268 -11.678
  433    H    GLN  56           H        GLN  56   2.248  19.066 -13.953
  434    HA   GLN  56           HA       GLN  56  -0.168  20.379 -13.213
  435    HB2  GLN  56           HB2      GLN  56   0.506  19.003 -15.861
  436    HB3  GLN  56           HB3      GLN  56  -0.812  20.159 -15.598
  437    HG2  GLN  56           HG2      GLN  56   1.042  21.767 -14.691
  438    HG3  GLN  56           HG3      GLN  56   2.160  20.574 -15.330
  439   HE21  GLN  56          HE22      GLN  56  -0.649  22.506 -16.914
  440   HE22  GLN  56          HE21      GLN  56   0.415  22.728 -18.290
  441    H    ALA  57           H        ALA  57   0.409  16.992 -14.304
  442    HA   ALA  57           HA       ALA  57  -2.315  16.211 -14.207
  443    HB1  ALA  57           HB1      ALA  57  -0.565  14.818 -15.237
  444    HB2  ALA  57           HB2      ALA  57   0.170  14.548 -13.632
  445    HB3  ALA  57           HB3      ALA  57  -1.444  13.910 -13.985
  446    H    LYS  58           H        LYS  58   0.141  16.474 -11.594
  447    HA   LYS  58           HA       LYS  58  -1.443  15.122  -9.654
  448    HB2  LYS  58           HB2      LYS  58   1.037  15.606  -9.536
  449    HB3  LYS  58           HB3      LYS  58   0.665  17.291  -9.167
  450    HG2  LYS  58           HG2      LYS  58  -0.628  15.134  -7.499
  451    HG3  LYS  58           HG3      LYS  58   1.097  15.432  -7.271
  452    HD2  LYS  58           HD2      LYS  58   0.811  17.629  -6.552
  453    HD3  LYS  58           HD3      LYS  58  -0.810  17.778  -7.264
  454    HE2  LYS  58           HE2      LYS  58  -1.597  16.011  -5.640
  455    HE3  LYS  58           HE3      LYS  58  -0.016  16.130  -4.828
  456    HZ1  LYS  58           HZ1      LYS  58  -0.504  18.482  -4.426
  457    HZ2  LYS  58           HZ2      LYS  58  -1.953  18.326  -5.181
  458    HZ3  LYS  58           HZ3      LYS  58  -1.706  17.519  -3.801
  459    H    GLU  59           H        GLU  59  -1.294  18.581 -10.659
  460    HA   GLU  59           HA       GLU  59  -3.153  19.499  -8.696
  461    HB2  GLU  59           HB2      GLU  59  -2.508  20.594 -11.459
  462    HB3  GLU  59           HB3      GLU  59  -3.369  21.442 -10.163
  463    HG2  GLU  59           HG2      GLU  59  -1.006  20.364  -8.946
  464    HG3  GLU  59           HG3      GLU  59  -0.490  20.980 -10.523
  465    H    ILE  60           H        ILE  60  -3.600  18.293 -12.041
  466    HA   ILE  60           HA       ILE  60  -6.402  18.685 -12.170
  467    HB   ILE  60           HB       ILE  60  -4.608  16.543 -13.415
  468   HG12  ILE  60          HG12      ILE  60  -5.932  19.025 -14.617
  469   HG13  ILE  60          HG13      ILE  60  -4.247  18.935 -14.115
  470   HG21  ILE  60          HG21      ILE  60  -6.914  15.642 -13.298
  471   HG22  ILE  60          HG22      ILE  60  -7.513  17.148 -14.035
  472   HG23  ILE  60          HG23      ILE  60  -6.484  16.008 -14.946
  473   HD11  ILE  60          HD11      ILE  60  -3.846  17.125 -15.719
  474   HD12  ILE  60          HD12      ILE  60  -5.494  17.268 -16.346
  475   HD13  ILE  60          HD13      ILE  60  -4.383  18.625 -16.517
  476    H    LEU  61           H        LEU  61  -4.498  15.897 -10.930
  477    HA   LEU  61           HA       LEU  61  -6.871  14.421 -10.235
  478    HB2  LEU  61           HB2      LEU  61  -3.988  14.107  -9.324
  479    HB3  LEU  61           HB3      LEU  61  -5.288  12.972  -8.978
  480    HG   LEU  61           HG       LEU  61  -4.155  13.587 -11.713
  481   HD11  LEU  61          HD11      LEU  61  -2.813  12.021 -10.409
  482   HD12  LEU  61          HD12      LEU  61  -4.242  11.017 -10.082
  483   HD13  LEU  61          HD13      LEU  61  -3.597  11.192 -11.737
  484   HD21  LEU  61          HD21      LEU  61  -6.518  11.835 -11.040
  485   HD22  LEU  61          HD22      LEU  61  -6.566  13.328 -11.997
  486   HD23  LEU  61          HD23      LEU  61  -5.704  11.940 -12.630
  487    H    SER  62           H        SER  62  -4.769  16.734  -8.354
  488    HA   SER  62           HA       SER  62  -6.145  16.303  -5.903
  489    HB2  SER  62           HB2      SER  62  -4.981  18.862  -7.046
  490    HB3  SER  62           HB3      SER  62  -5.405  18.586  -5.344
  491    HG   SER  62           HG       SER  62  -3.220  18.266  -6.238
  492    H    GLU  63           H        GLU  63  -7.051  18.365  -8.719
  493    HA   GLU  63           HA       GLU  63  -9.325  19.468  -7.479
  494    HB2  GLU  63           HB2      GLU  63  -7.987  20.086  -9.650
  495    HB3  GLU  63           HB3      GLU  63  -9.023  18.895 -10.466
  496    HG2  GLU  63           HG2      GLU  63 -10.972  19.995 -10.028
  497    HG3  GLU  63           HG3      GLU  63 -10.351  20.855  -8.602
  498    H    MET  64           H        MET  64  -8.872  16.482  -9.300
  499    HA   MET  64           HA       MET  64 -11.631  15.638  -9.324
  500    HB2  MET  64           HB2      MET  64  -9.009  14.117  -9.561
  501    HB3  MET  64           HB3      MET  64 -10.581  13.383  -9.795
  502    HG2  MET  64           HG2      MET  64  -9.704  15.789 -11.387
  503    HG3  MET  64           HG3      MET  64  -9.144  14.172 -11.808
  504    HE1  MET  64           HE1      MET  64 -11.119  12.091 -12.332
  505    HE2  MET  64           HE2      MET  64 -12.211  12.583 -11.011
  506    HE3  MET  64           HE3      MET  64 -12.790  12.573 -12.682
  507    H    GLY  65           H        GLY  65  -9.469  15.968  -6.696
  508    HA2  GLY  65           HA2      GLY  65 -10.139  15.721  -4.514
  509    HA3  GLY  65           HA3      GLY  65 -11.478  14.654  -5.014
  510    H    TYR  66           H        TYR  66  -8.219  14.067  -5.969
  511    HA   TYR  66           HA       TYR  66  -7.953  11.502  -4.756
  512    HB2  TYR  66           HB2      TYR  66  -5.803  13.498  -5.651
  513    HB3  TYR  66           HB3      TYR  66  -5.519  11.864  -4.904
  514    HD1  TYR  66           HD1      TYR  66  -5.515   9.919  -6.157
  515    HD2  TYR  66           HD2      TYR  66  -7.378  13.498  -7.272
  516    HE1  TYR  66           HE1      TYR  66  -7.040   8.685  -7.672
  517    HE2  TYR  66           HE2      TYR  66  -9.227  12.411  -8.294
  518    HH   TYR  66           HH       TYR  66  -9.028   8.945  -8.887
  519    H    THR  67           H        THR  67  -6.873  10.856  -2.991
  520    HA   THR  67           HA       THR  67  -6.179  13.076  -1.173
  521    HB   THR  67           HB       THR  67  -6.230  10.968   0.418
  522    HG1  THR  67           HG1      THR  67  -8.021   9.718  -0.298
  523   HG21  THR  67          HG21      THR  67  -7.780  12.917   0.505
  524   HG22  THR  67          HG22      THR  67  -8.735  12.216  -0.833
  525   HG23  THR  67          HG23      THR  67  -8.637  11.369   0.738
  526    H    HIS  68           H        HIS  68  -4.580  10.456  -2.925
  527    HA   HIS  68           HA       HIS  68  -2.084  11.206  -1.482
  528    HB2  HIS  68           HB2      HIS  68  -3.294   8.464  -1.919
  529    HB3  HIS  68           HB3      HIS  68  -1.561   8.683  -1.589
  530    HD1  HIS  68           HD1      HIS  68  -3.959   7.411   0.155
  531    HD2  HIS  68           HD2      HIS  68  -1.641  10.882   0.734
  532    HE1  HIS  68           HE1      HIS  68  -3.856   7.823   2.702
  533    H    VAL  69           H        VAL  69  -2.621  12.297  -3.815
  534    HA   VAL  69           HA       VAL  69  -1.131  10.712  -5.822
  535    HB   VAL  69           HB       VAL  69  -2.013  13.590  -6.172
  536   HG11  VAL  69          HG11      VAL  69  -0.615  12.595  -7.997
  537   HG12  VAL  69          HG12      VAL  69  -1.772  11.235  -8.102
  538   HG13  VAL  69          HG13      VAL  69  -2.293  12.886  -8.505
  539   HG21  VAL  69          HG21      VAL  69  -3.625  11.082  -6.565
  540   HG22  VAL  69          HG22      VAL  69  -3.789  12.502  -5.456
  541   HG23  VAL  69          HG23      VAL  69  -4.040  12.736  -7.162
  542    H    GLU  70           H        GLU  70   0.928  11.301  -6.440
  543    HA   GLU  70           HA       GLU  70   2.140  13.705  -5.224
  544    HB2  GLU  70           HB2      GLU  70   2.549  11.835  -3.713
  545    HB3  GLU  70           HB3      GLU  70   3.165  10.836  -5.051
  546    HG2  GLU  70           HG2      GLU  70   5.115  12.035  -5.266
  547    HG3  GLU  70           HG3      GLU  70   4.366  13.573  -4.789
  548    H    ASN  71           H        ASN  71   3.559  14.669  -6.580
  549    HA   ASN  71           HA       ASN  71   4.106  13.445  -9.215
  550    HB2  ASN  71           HB2      ASN  71   3.668  15.838  -9.295
  551    HB3  ASN  71           HB3      ASN  71   4.920  16.135  -8.067
  552   HD21  ASN  71          HD22      ASN  71   5.738  17.464 -10.423
  553   HD22  ASN  71          HD21      ASN  71   6.774  16.389 -11.315
  554    H    ALA  72           H        ALA  72   5.617  11.938  -9.178
  555    HA   ALA  72           HA       ALA  72   7.571  11.623  -7.071
  556    HB1  ALA  72           HB1      ALA  72   6.673   9.727  -8.388
  557    HB2  ALA  72           HB2      ALA  72   7.366  10.417  -9.865
  558    HB3  ALA  72           HB3      ALA  72   8.445   9.843  -8.571
  559    H    GLY  73           H        GLY  73   7.619  13.269 -10.225
  560    HA2  GLY  73           HA2      GLY  73   9.374  15.113 -10.153
  561    HA3  GLY  73           HA3      GLY  73  10.540  13.785  -9.990
  562    H    GLY  74           H        GLY  74  11.491  13.961 -12.001
  563    HA2  GLY  74           HA2      GLY  74   9.736  13.580 -14.376
  564    HA3  GLY  74           HA3      GLY  74  11.373  14.241 -14.454
  565    H    LEU  75           H        LEU  75  10.665  12.046 -16.018
  566    HA   LEU  75           HA       LEU  75  11.012   9.465 -15.046
  567    HB2  LEU  75           HB2      LEU  75  10.372  10.017 -17.346
  568    HB3  LEU  75           HB3      LEU  75  11.925  10.797 -17.637
  569    HG   LEU  75           HG       LEU  75  13.135   8.693 -17.521
  570   HD11  LEU  75          HD11      LEU  75  11.657   7.434 -15.906
  571   HD12  LEU  75          HD12      LEU  75  10.484   7.306 -17.239
  572   HD13  LEU  75          HD13      LEU  75  12.012   6.533 -17.412
  573   HD21  LEU  75          HD21      LEU  75  10.639   8.434 -19.265
  574   HD22  LEU  75          HD22      LEU  75  12.169   9.260 -19.708
  575   HD23  LEU  75          HD23      LEU  75  12.138   7.518 -19.451
  576    H    LYS  76           H        LYS  76  13.477  11.834 -15.635
  577    HA   LYS  76           HA       LYS  76  15.756  10.145 -15.350
  578    HB2  LYS  76           HB2      LYS  76  15.342  13.107 -14.580
  579    HB3  LYS  76           HB3      LYS  76  16.922  12.240 -14.765
  580    HG2  LYS  76           HG2      LYS  76  16.251  11.482 -16.944
  581    HG3  LYS  76           HG3      LYS  76  14.754  12.511 -16.891
  582    HD2  LYS  76           HD2      LYS  76  15.798  14.511 -16.643
  583    HD3  LYS  76           HD3      LYS  76  17.419  13.804 -16.162
  584    HE2  LYS  76           HE2      LYS  76  17.656  12.566 -18.063
  585    HE3  LYS  76           HE3      LYS  76  15.940  12.774 -18.592
  586    HZ1  LYS  76           HZ1      LYS  76  16.254  14.960 -18.847
  587    HZ2  LYS  76           HZ2      LYS  76  17.845  14.895 -18.302
  588    HZ3  LYS  76           HZ3      LYS  76  17.408  14.087 -19.734
  589    H    ASP  77           H        ASP  77  13.624  11.561 -13.009
  590    HA   ASP  77           HA       ASP  77  15.708  11.561 -10.939
  591    HB2  ASP  77           HB2      ASP  77  14.190  13.475 -11.171
  592    HB3  ASP  77           HB3      ASP  77  12.793  12.442 -10.904
  593    H    ILE  78           H        ILE  78  12.652   9.888 -11.870
  594    HA   ILE  78           HA       ILE  78  12.522   8.363  -9.487
  595    HB   ILE  78           HB       ILE  78  11.453   7.722 -12.268
  596   HG12  ILE  78          HG12      ILE  78   9.334   8.051 -10.405
  597   HG13  ILE  78          HG13      ILE  78  10.537   9.212  -9.815
  598   HG21  ILE  78          HG21      ILE  78  11.696   5.597 -10.973
  599   HG22  ILE  78          HG22      ILE  78  10.809   6.367  -9.621
  600   HG23  ILE  78          HG23      ILE  78  10.010   6.052 -11.173
  601   HD11  ILE  78          HD11      ILE  78  10.596  10.212 -11.971
  602   HD12  ILE  78          HD12      ILE  78   9.436   9.020 -12.607
  603   HD13  ILE  78          HD13      ILE  78   8.987  10.187 -11.305
  604    H    ALA  79           H        ALA  79  13.711   6.828  -8.727
  605    HA   ALA  79           HA       ALA  79  15.823   5.643 -10.408
  606    HB1  ALA  79           HB1      ALA  79  16.545   7.007  -8.531
  607    HB2  ALA  79           HB2      ALA  79  15.571   6.025  -7.400
  608    HB3  ALA  79           HB3      ALA  79  16.960   5.301  -8.244
  609    H    MET  80           H        MET  80  13.184   4.631 -10.575
  610    HA   MET  80           HA       MET  80  13.351   1.946  -9.314
  611    HB2  MET  80           HB2      MET  80  11.259   3.266 -11.092
  612    HB3  MET  80           HB3      MET  80  11.127   1.632 -10.434
  613    HG2  MET  80           HG2      MET  80  11.887   3.214  -8.232
  614    HG3  MET  80           HG3      MET  80  10.819   4.273  -9.141
  615    HE1  MET  80           HE1      MET  80   8.926   1.172  -9.825
  616    HE2  MET  80           HE2      MET  80  10.055   0.273  -8.742
  617    HE3  MET  80           HE3      MET  80   8.462   0.572  -8.233
  618    HA   PRO  81           HA       PRO  81  14.806   0.012 -13.095
  619    HB2  PRO  81           HB2      PRO  81  12.395  -1.784 -12.888
  620    HB3  PRO  81           HB3      PRO  81  14.115  -2.218 -13.138
  621    HG2  PRO  81           HG2      PRO  81  12.915  -2.528 -10.709
  622    HG3  PRO  81           HG3      PRO  81  14.609  -1.950 -10.840
  623    HD2  PRO  81           HD2      PRO  81  12.105  -0.348 -10.355
  624    HD3  PRO  81           HD3      PRO  81  13.725  -0.179  -9.611
  625    H    LYS  82           H        LYS  82  14.259  -0.084 -15.331
  626    HA   LYS  82           HA       LYS  82  11.664   1.102 -16.114
  627    HB2  LYS  82           HB2      LYS  82  14.415   2.042 -17.069
  628    HB3  LYS  82           HB3      LYS  82  12.859   2.558 -17.748
  629    HG2  LYS  82           HG2      LYS  82  12.196   3.591 -15.673
  630    HG3  LYS  82           HG3      LYS  82  13.642   2.980 -14.847
  631    HD2  LYS  82           HD2      LYS  82  15.093   4.342 -16.277
  632    HD3  LYS  82           HD3      LYS  82  13.669   4.969 -17.138
  633    HE2  LYS  82           HE2      LYS  82  13.270   6.457 -15.486
  634    HE3  LYS  82           HE3      LYS  82  13.080   5.115 -14.332
  635    HZ1  LYS  82           HZ1      LYS  82  15.406   5.209 -13.934
  636    HZ2  LYS  82           HZ2      LYS  82  15.579   6.468 -15.011
  637    HZ3  LYS  82           HZ3      LYS  82  14.692   6.652 -13.622
  638    H    VAL  83           H        VAL  83  11.106   0.614 -18.268
  639    HA   VAL  83           HA       VAL  83  12.624  -1.528 -19.623
  640    HB   VAL  83           HB       VAL  83   9.879  -2.129 -20.016
  641   HG11  VAL  83          HG11      VAL  83  11.626  -3.780 -19.987
  642   HG12  VAL  83          HG12      VAL  83  11.881  -3.523 -18.222
  643   HG13  VAL  83          HG13      VAL  83  10.362  -4.224 -18.836
  644   HG21  VAL  83          HG21      VAL  83  10.351  -2.030 -17.026
  645   HG22  VAL  83          HG22      VAL  83   9.195  -0.996 -17.946
  646   HG23  VAL  83          HG23      VAL  83   8.971  -2.751 -17.887
  647    H    LYS  84           H        LYS  84  11.887  -1.682 -21.857
  648    HA   LYS  84           HA       LYS  84  11.060   0.944 -22.923
  649    HB2  LYS  84           HB2      LYS  84  11.193  -1.210 -24.908
  650    HB3  LYS  84           HB3      LYS  84  11.976   0.372 -24.837
  651    HG2  LYS  84           HG2      LYS  84  13.623  -0.626 -23.198
  652    HG3  LYS  84           HG3      LYS  84  12.740  -2.194 -23.313
  653    HD2  LYS  84           HD2      LYS  84  14.450  -2.504 -24.766
  654    HD3  LYS  84           HD3      LYS  84  13.064  -2.041 -25.842
  655    HE2  LYS  84           HE2      LYS  84  13.783   0.421 -25.335
  656    HE3  LYS  84           HE3      LYS  84  15.232  -0.306 -24.588
  657    HZ1  LYS  84           HZ1      LYS  84  15.579  -1.379 -26.708
  658    HZ2  LYS  84           HZ2      LYS  84  14.304  -0.500 -27.337
  659    HZ3  LYS  84           HZ3      LYS  84  15.645   0.300 -26.726
  660    H    GLY  85           H        GLY  85   9.546   0.979 -24.613
  661    HA2  GLY  85           HA2      GLY  85   7.012  -0.146 -23.988
  662    HA3  GLY  85           HA3      GLY  85   7.479   0.762 -25.463
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1  -2.433   0.712  -0.385
    2    H2   ALA   1           H2       ALA   1  -1.601   2.135  -0.303
    3    H3   ALA   1           H3       ALA   1  -2.802   1.967  -1.401
    4    HA   ALA   1           HA       ALA   1  -0.266   0.508  -1.414
    5    HB1  ALA   1           HB1      ALA   1  -2.511   0.436  -3.481
    6    HB2  ALA   1           HB2      ALA   1  -0.985  -0.472  -3.523
    7    HB3  ALA   1           HB3      ALA   1  -2.188  -0.838  -2.285
    8    H    GLU   2           H        GLU   2   0.151   1.025  -4.188
    9    HA   GLU   2           HA       GLU   2   0.259   3.937  -4.502
   10    HB2  GLU   2           HB2      GLU   2   2.698   2.098  -4.614
   11    HB3  GLU   2           HB3      GLU   2   2.666   3.767  -5.188
   12    HG2  GLU   2           HG2      GLU   2   2.311   4.604  -2.925
   13    HG3  GLU   2           HG3      GLU   2   2.192   2.959  -2.290
   14    H    HIS   3           H        HIS   3   0.221   4.477  -6.694
   15    HA   HIS   3           HA       HIS   3   0.468   2.313  -8.727
   16    HB2  HIS   3           HB2      HIS   3  -1.768   4.342  -8.361
   17    HB3  HIS   3           HB3      HIS   3  -1.384   3.647  -9.931
   18    HD1  HIS   3           HD1      HIS   3  -2.975   2.584  -6.574
   19    HD2  HIS   3           HD2      HIS   3  -1.925   1.066 -10.378
   20    HE1  HIS   3           HE1      HIS   3  -4.128   0.344  -6.802
   21    H    TRP   4           H        TRP   4   2.238   2.854  -9.840
   22    HA   TRP   4           HA       TRP   4   3.001   5.654 -10.324
   23    HB2  TRP   4           HB2      TRP   4   4.101   2.964 -11.227
   24    HB3  TRP   4           HB3      TRP   4   4.637   4.487 -11.916
   25    HD1  TRP   4           HD1      TRP   4   4.997   2.410  -8.760
   26    HE1  TRP   4           HE1      TRP   4   6.769   3.440  -7.240
   27    HE3  TRP   4           HE3      TRP   4   5.686   6.826 -11.239
   28    HZ2  TRP   4           HZ2      TRP   4   8.365   5.875  -7.149
   29    HZ3  TRP   4           HZ3      TRP   4   7.341   8.481 -10.427
   30    HH2  TRP   4           HH2      TRP   4   8.691   8.013  -8.388
   31    H    ILE   5           H        ILE   5   2.330   6.789 -12.092
   32    HA   ILE   5           HA       ILE   5   0.962   5.355 -14.317
   33    HB   ILE   5           HB       ILE   5   0.029   7.894 -12.931
   34   HG12  ILE   5          HG12      ILE   5  -0.544   5.930 -11.549
   35   HG13  ILE   5          HG13      ILE   5  -1.938   6.780 -12.175
   36   HG21  ILE   5          HG21      ILE   5  -1.900   7.796 -14.462
   37   HG22  ILE   5          HG22      ILE   5  -0.375   7.927 -15.345
   38   HG23  ILE   5          HG23      ILE   5  -1.192   6.373 -15.271
   39   HD11  ILE   5          HD11      ILE   5  -0.873   4.186 -13.369
   40   HD12  ILE   5          HD12      ILE   5  -2.201   4.313 -12.202
   41   HD13  ILE   5          HD13      ILE   5  -2.377   5.025 -13.808
   42    H    ASP   6           H        ASP   6   1.824   5.924 -16.182
   43    HA   ASP   6           HA       ASP   6   3.841   8.089 -16.446
   44    HB2  ASP   6           HB2      ASP   6   4.332   5.912 -17.470
   45    HB3  ASP   6           HB3      ASP   6   2.790   5.867 -18.260
   46    H    VAL   7           H        VAL   7   3.084  10.075 -17.231
   47    HA   VAL   7           HA       VAL   7   0.341  10.112 -18.391
   48    HB   VAL   7           HB       VAL   7  -0.188  12.162 -17.178
   49   HG11  VAL   7          HG11      VAL   7  -0.524  11.238 -14.985
   50   HG12  VAL   7          HG12      VAL   7  -0.810   9.997 -16.208
   51   HG13  VAL   7          HG13      VAL   7   0.701   9.982 -15.265
   52   HG21  VAL   7          HG21      VAL   7   2.516  11.700 -15.779
   53   HG22  VAL   7          HG22      VAL   7   2.094  13.081 -16.817
   54   HG23  VAL   7          HG23      VAL   7   1.275  12.846 -15.265
   55    H    ARG   8           H        ARG   8   2.763   9.969 -19.926
   56    HA   ARG   8           HA       ARG   8   2.510  12.624 -21.292
   57    HB2  ARG   8           HB2      ARG   8   4.812  11.897 -20.060
   58    HB3  ARG   8           HB3      ARG   8   5.027  11.046 -21.589
   59    HG2  ARG   8           HG2      ARG   8   4.368  13.389 -22.662
   60    HG3  ARG   8           HG3      ARG   8   4.724  14.025 -21.062
   61    HD2  ARG   8           HD2      ARG   8   7.017  13.307 -21.206
   62    HD3  ARG   8           HD3      ARG   8   6.682  12.294 -22.616
   63    HE   ARG   8           HE       ARG   8   6.356  15.270 -22.668
   64   HH11  ARG   8          HH21      ARG   8   7.893  12.376 -24.097
   65   HH12  ARG   8          HH22      ARG   8   8.306  13.165 -25.587
   66   HH21  ARG   8          HH11      ARG   8   7.070  16.331 -24.566
   67   HH22  ARG   8          HH12      ARG   8   7.937  15.470 -25.787
   68    H    VAL   9           H        VAL   9   3.758  12.070 -23.626
   69    HA   VAL   9           HA       VAL   9   1.862  10.414 -25.047
   70    HB   VAL   9           HB       VAL   9   3.581  10.868 -26.939
   71   HG11  VAL   9          HG11      VAL   9   1.465  12.099 -26.711
   72   HG12  VAL   9          HG12      VAL   9   2.214  13.224 -25.558
   73   HG13  VAL   9          HG13      VAL   9   2.764  13.175 -27.248
   74   HG21  VAL   9          HG21      VAL   9   5.468  11.481 -25.276
   75   HG22  VAL   9          HG22      VAL   9   5.228  12.548 -26.676
   76   HG23  VAL   9          HG23      VAL   9   4.639  13.040 -25.086
   77    HA   PRO  10           HA       PRO  10   3.963   6.524 -24.810
   78    HB2  PRO  10           HB2      PRO  10   3.764   5.522 -27.386
   79    HB3  PRO  10           HB3      PRO  10   2.437   5.539 -26.178
   80    HG2  PRO  10           HG2      PRO  10   2.983   7.518 -28.405
   81    HG3  PRO  10           HG3      PRO  10   1.421   6.756 -27.958
   82    HD2  PRO  10           HD2      PRO  10   2.034   9.246 -27.135
   83    HD3  PRO  10           HD3      PRO  10   1.221   8.112 -26.019
   84    H    GLU  11           H        GLU  11   5.134   8.967 -26.996
   85    HA   GLU  11           HA       GLU  11   7.471   7.989 -28.058
   86    HB2  GLU  11           HB2      GLU  11   6.572  10.287 -28.327
   87    HB3  GLU  11           HB3      GLU  11   7.013  10.649 -26.656
   88    HG2  GLU  11           HG2      GLU  11   9.417  10.274 -27.226
   89    HG3  GLU  11           HG3      GLU  11   8.944   9.997 -28.906
   90    H    GLN  12           H        GLN  12   7.009   9.101 -24.615
   91    HA   GLN  12           HA       GLN  12   9.777   8.436 -23.997
   92    HB2  GLN  12           HB2      GLN  12   9.347   8.888 -21.730
   93    HB3  GLN  12           HB3      GLN  12   8.654  10.171 -22.709
   94    HG2  GLN  12           HG2      GLN  12   6.393   9.332 -22.276
   95    HG3  GLN  12           HG3      GLN  12   7.037   7.912 -21.441
   96   HE21  GLN  12          HE22      GLN  12   6.608   8.147 -19.266
   97   HE22  GLN  12          HE21      GLN  12   7.025   9.556 -18.321
   98    H    TYR  13           H        TYR  13   6.621   6.813 -23.670
   99    HA   TYR  13           HA       TYR  13   7.381   4.744 -21.987
  100    HB2  TYR  13           HB2      TYR  13   5.061   5.534 -22.926
  101    HB3  TYR  13           HB3      TYR  13   5.344   4.356 -24.197
  102    HD1  TYR  13           HD2      TYR  13   4.976   4.864 -20.540
  103    HD2  TYR  13           HD1      TYR  13   4.920   1.978 -23.735
  104    HE1  TYR  13           HE2      TYR  13   3.962   3.222 -19.005
  105    HE2  TYR  13           HE1      TYR  13   3.900   0.312 -22.209
  106    HH   TYR  13           HH       TYR  13   3.129   1.093 -18.769
  107    H    GLN  14           H        GLN  14   7.650   4.959 -25.533
  108    HA   GLN  14           HA       GLN  14   8.532   2.281 -25.968
  109    HB2  GLN  14           HB2      GLN  14   8.972   4.858 -27.539
  110    HB3  GLN  14           HB3      GLN  14   9.478   3.269 -28.113
  111    HG2  GLN  14           HG2      GLN  14   6.611   4.103 -27.503
  112    HG3  GLN  14           HG3      GLN  14   7.323   3.941 -29.099
  113   HE21  GLN  14          HE22      GLN  14   5.224   2.396 -27.122
  114   HE22  GLN  14          HE21      GLN  14   5.539   0.735 -27.554
  115    H    GLN  15           H        GLN  15  10.447   5.293 -25.243
  116    HA   GLN  15           HA       GLN  15  12.924   3.829 -25.675
  117    HB2  GLN  15           HB2      GLN  15  14.058   5.842 -24.780
  118    HB3  GLN  15           HB3      GLN  15  13.081   6.087 -26.222
  119    HG2  GLN  15           HG2      GLN  15  11.341   7.178 -24.966
  120    HG3  GLN  15           HG3      GLN  15  12.130   6.816 -23.427
  121   HE21  GLN  15          HE22      GLN  15  14.104   7.899 -22.882
  122   HE22  GLN  15          HE21      GLN  15  14.542   9.430 -23.649
  123    H    GLU  16           H        GLU  16  11.181   4.982 -22.716
  124    HA   GLU  16           HA       GLU  16  11.518   2.575 -21.452
  125    HB2  GLU  16           HB2      GLU  16  12.913   3.026 -19.525
  126    HB3  GLU  16           HB3      GLU  16  13.859   2.937 -20.973
  127    HG2  GLU  16           HG2      GLU  16  12.992   5.586 -19.741
  128    HG3  GLU  16           HG3      GLU  16  14.419   4.719 -19.219
  129    H    HIS  17           H        HIS  17  10.335   2.467 -19.517
  130    HA   HIS  17           HA       HIS  17   9.071   4.924 -18.458
  131    HB2  HIS  17           HB2      HIS  17   6.904   3.664 -18.382
  132    HB3  HIS  17           HB3      HIS  17   7.419   4.132 -19.985
  133    HD1  HIS  17           HD1      HIS  17   8.022   2.080 -21.697
  134    HD2  HIS  17           HD2      HIS  17   6.748   1.034 -17.822
  135    HE1  HIS  17           HE1      HIS  17   7.476  -0.398 -21.764
  136    H    VAL  18           H        VAL  18   8.378   4.638 -16.303
  137    HA   VAL  18           HA       VAL  18   9.959   3.008 -14.574
  138    HB   VAL  18           HB       VAL  18   7.369   4.574 -14.280
  139   HG11  VAL  18          HG11      VAL  18   7.754   4.420 -11.795
  140   HG12  VAL  18          HG12      VAL  18   7.260   2.891 -12.529
  141   HG13  VAL  18          HG13      VAL  18   8.962   3.154 -12.102
  142   HG21  VAL  18          HG21      VAL  18  10.198   5.132 -13.282
  143   HG22  VAL  18          HG22      VAL  18   9.462   5.878 -14.712
  144   HG23  VAL  18          HG23      VAL  18   8.774   6.192 -13.123
  145    H    GLN  19           H        GLN  19   9.692   0.972 -13.883
  146    HA   GLN  19           HA       GLN  19   8.452  -0.881 -15.481
  147    HB2  GLN  19           HB2      GLN  19  10.271  -1.396 -13.993
  148    HB3  GLN  19           HB3      GLN  19   9.319  -1.034 -12.563
  149    HG2  GLN  19           HG2      GLN  19   8.069  -3.141 -14.235
  150    HG3  GLN  19           HG3      GLN  19   9.718  -3.535 -13.784
  151   HE21  GLN  19          HE22      GLN  19   6.973  -1.894 -11.974
  152   HE22  GLN  19          HE21      GLN  19   7.062  -2.996 -10.619
  153    H    GLY  20           H        GLY  20   6.367  -1.310 -15.903
  154    HA2  GLY  20           HA2      GLY  20   4.237  -2.022 -15.525
  155    HA3  GLY  20           HA3      GLY  20   4.531  -1.960 -13.784
  156    H    ALA  21           H        ALA  21   5.263   1.124 -15.072
  157    HA   ALA  21           HA       ALA  21   2.954   2.376 -13.950
  158    HB1  ALA  21           HB1      ALA  21   5.090   3.575 -14.291
  159    HB2  ALA  21           HB2      ALA  21   4.897   3.411 -16.057
  160    HB3  ALA  21           HB3      ALA  21   3.757   4.403 -15.124
  161    H    ILE  22           H        ILE  22   0.961   2.824 -14.843
  162    HA   ILE  22           HA       ILE  22   0.288   1.699 -17.476
  163    HB   ILE  22           HB       ILE  22  -1.458   3.396 -15.638
  164   HG12  ILE  22          HG12      ILE  22  -1.182   0.353 -15.632
  165   HG13  ILE  22          HG13      ILE  22  -0.629   1.435 -14.352
  166   HG21  ILE  22          HG21      ILE  22  -2.211   1.327 -17.756
  167   HG22  ILE  22          HG22      ILE  22  -3.323   2.379 -16.854
  168   HG23  ILE  22          HG23      ILE  22  -2.215   3.081 -18.020
  169   HD11  ILE  22          HD11      ILE  22  -3.519   0.930 -15.123
  170   HD12  ILE  22          HD12      ILE  22  -2.683   0.475 -13.633
  171   HD13  ILE  22          HD13      ILE  22  -2.980   2.189 -13.981
  172    H    ASN  23           H        ASN  23   0.326   2.966 -19.377
  173    HA   ASN  23           HA       ASN  23   0.994   5.836 -19.179
  174    HB2  ASN  23           HB2      ASN  23   2.069   4.657 -20.984
  175    HB3  ASN  23           HB3      ASN  23   0.519   4.025 -21.563
  176   HD21  ASN  23          HD22      ASN  23   2.116   7.290 -20.834
  177   HD22  ASN  23          HD21      ASN  23   1.333   8.084 -22.147
  178    H    ILE  24           H        ILE  24  -0.473   7.270 -18.779
  179    HA   ILE  24           HA       ILE  24  -3.107   7.155 -20.111
  180    HB   ILE  24           HB       ILE  24  -2.850   7.895 -17.169
  181   HG12  ILE  24          HG12      ILE  24  -3.814   5.229 -18.288
  182   HG13  ILE  24          HG13      ILE  24  -2.386   5.493 -17.279
  183   HG21  ILE  24          HG21      ILE  24  -4.669   8.837 -18.728
  184   HG22  ILE  24          HG22      ILE  24  -5.256   7.182 -18.891
  185   HG23  ILE  24          HG23      ILE  24  -5.247   7.990 -17.290
  186   HD11  ILE  24          HD11      ILE  24  -5.281   5.817 -16.423
  187   HD12  ILE  24          HD12      ILE  24  -4.097   4.626 -15.868
  188   HD13  ILE  24          HD13      ILE  24  -3.888   6.336 -15.443
  189    HA   PRO  25           HA       PRO  25  -0.403  10.804 -20.880
  190    HB2  PRO  25           HB2      PRO  25  -2.584  11.316 -22.906
  191    HB3  PRO  25           HB3      PRO  25  -0.811  11.492 -23.093
  192    HG2  PRO  25           HG2      PRO  25  -2.094   9.312 -24.079
  193    HG3  PRO  25           HG3      PRO  25  -0.521   9.124 -23.245
  194    HD2  PRO  25           HD2      PRO  25  -3.292   8.613 -22.169
  195    HD3  PRO  25           HD3      PRO  25  -1.792   7.672 -21.933
  196    H    LEU  26           H        LEU  26  -0.491  13.009 -20.343
  197    HA   LEU  26           HA       LEU  26  -2.150  14.043 -18.488
  198    HB2  LEU  26           HB2      LEU  26  -0.059  15.085 -19.175
  199    HB3  LEU  26           HB3      LEU  26  -0.716  15.463 -20.768
  200    HG   LEU  26           HG       LEU  26  -2.323  17.070 -19.729
  201   HD11  LEU  26          HD11      LEU  26  -2.473  16.066 -17.458
  202   HD12  LEU  26          HD12      LEU  26  -0.771  16.491 -17.173
  203   HD13  LEU  26          HD13      LEU  26  -1.988  17.766 -17.386
  204   HD21  LEU  26          HD21      LEU  26  -0.671  18.795 -19.212
  205   HD22  LEU  26          HD22      LEU  26   0.588  17.562 -18.997
  206   HD23  LEU  26          HD23      LEU  26  -0.147  17.829 -20.598
  207    H    LYS  27           H        LYS  27  -2.737  14.304 -22.013
  208    HA   LYS  27           HA       LYS  27  -4.985  16.060 -21.815
  209    HB2  LYS  27           HB2      LYS  27  -4.265  14.075 -24.021
  210    HB3  LYS  27           HB3      LYS  27  -5.378  15.422 -24.184
  211    HG2  LYS  27           HG2      LYS  27  -2.372  15.593 -23.712
  212    HG3  LYS  27           HG3      LYS  27  -3.222  15.943 -25.204
  213    HD2  LYS  27           HD2      LYS  27  -3.386  17.525 -22.602
  214    HD3  LYS  27           HD3      LYS  27  -2.537  18.008 -24.058
  215    HE2  LYS  27           HE2      LYS  27  -5.563  17.630 -23.844
  216    HE3  LYS  27           HE3      LYS  27  -4.721  19.173 -23.717
  217    HZ1  LYS  27           HZ1      LYS  27  -4.735  17.457 -26.134
  218    HZ2  LYS  27           HZ2      LYS  27  -5.562  18.845 -25.936
  219    HZ3  LYS  27           HZ3      LYS  27  -3.938  18.880 -25.991
  220    H    GLU  28           H        GLU  28  -4.793  12.746 -20.975
  221    HA   GLU  28           HA       GLU  28  -7.733  12.362 -21.327
  222    HB2  GLU  28           HB2      GLU  28  -5.407  10.444 -21.790
  223    HB3  GLU  28           HB3      GLU  28  -7.098   9.966 -21.689
  224    HG2  GLU  28           HG2      GLU  28  -7.628  11.475 -23.612
  225    HG3  GLU  28           HG3      GLU  28  -5.899  11.809 -23.780
  226    H    VAL  29           H        VAL  29  -5.145  12.443 -19.042
  227    HA   VAL  29           HA       VAL  29  -5.500  10.319 -17.477
  228    HB   VAL  29           HB       VAL  29  -3.762  12.153 -17.302
  229   HG11  VAL  29          HG11      VAL  29  -4.048  13.952 -15.739
  230   HG12  VAL  29          HG12      VAL  29  -5.299  14.089 -16.979
  231   HG13  VAL  29          HG13      VAL  29  -5.707  13.463 -15.361
  232   HG21  VAL  29          HG21      VAL  29  -4.942  11.032 -14.740
  233   HG22  VAL  29          HG22      VAL  29  -3.762  10.250 -15.811
  234   HG23  VAL  29          HG23      VAL  29  -3.310  11.716 -14.927
  235    H    LYS  30           H        LYS  30  -7.630  13.165 -17.272
  236    HA   LYS  30           HA       LYS  30  -9.098  12.459 -14.977
  237    HB2  LYS  30           HB2      LYS  30 -10.116  13.852 -17.491
  238    HB3  LYS  30           HB3      LYS  30 -10.900  13.854 -15.906
  239    HG2  LYS  30           HG2      LYS  30  -8.836  14.939 -14.954
  240    HG3  LYS  30           HG3      LYS  30  -8.218  15.123 -16.602
  241    HD2  LYS  30           HD2      LYS  30 -10.822  16.282 -15.521
  242    HD3  LYS  30           HD3      LYS  30  -9.310  17.174 -15.741
  243    HE2  LYS  30           HE2      LYS  30  -9.389  16.708 -18.189
  244    HE3  LYS  30           HE3      LYS  30 -10.925  15.857 -17.972
  245    HZ1  LYS  30           HZ1      LYS  30 -10.476  18.729 -17.395
  246    HZ2  LYS  30           HZ2      LYS  30 -11.274  18.131 -18.682
  247    HZ3  LYS  30           HZ3      LYS  30 -11.894  17.940 -17.189
  248    H    GLU  31           H        GLU  31  -9.386  11.205 -18.286
  249    HA   GLU  31           HA       GLU  31 -12.076  10.128 -17.749
  250    HB2  GLU  31           HB2      GLU  31 -10.381  10.213 -20.285
  251    HB3  GLU  31           HB3      GLU  31 -12.064   9.698 -20.192
  252    HG2  GLU  31           HG2      GLU  31 -11.020  12.504 -19.628
  253    HG3  GLU  31           HG3      GLU  31 -11.862  11.969 -21.071
  254    H    ARG  32           H        ARG  32  -9.145   8.988 -16.907
  255    HA   ARG  32           HA       ARG  32 -10.034   6.161 -17.261
  256    HB2  ARG  32           HB2      ARG  32  -7.227   7.134 -17.854
  257    HB3  ARG  32           HB3      ARG  32  -7.725   5.455 -17.760
  258    HG2  ARG  32           HG2      ARG  32  -7.637   5.751 -20.023
  259    HG3  ARG  32           HG3      ARG  32  -9.348   6.020 -19.710
  260    HD2  ARG  32           HD2      ARG  32  -8.847   8.535 -19.754
  261    HD3  ARG  32           HD3      ARG  32  -7.180   8.158 -20.098
  262    HE   ARG  32           HE       ARG  32  -7.742   7.994 -22.290
  263   HH11  ARG  32          HH11      ARG  32 -10.807   7.349 -20.518
  264   HH12  ARG  32          HH12      ARG  32 -11.728   7.329 -21.980
  265   HH21  ARG  32          HH21      ARG  32  -8.918   8.109 -24.038
  266   HH22  ARG  32          HH22      ARG  32 -10.636   7.763 -24.081
  267    H    ILE  33           H        ILE  33  -8.102   8.573 -15.405
  268    HA   ILE  33           HA       ILE  33  -7.003   6.775 -13.595
  269    HB   ILE  33           HB       ILE  33  -6.482   9.205 -13.811
  270   HG12  ILE  33          HG12      ILE  33  -6.130   9.642 -11.356
  271   HG13  ILE  33          HG13      ILE  33  -7.022   8.169 -11.005
  272   HG21  ILE  33          HG21      ILE  33  -8.887  10.014 -13.778
  273   HG22  ILE  33          HG22      ILE  33  -8.891   9.726 -12.023
  274   HG23  ILE  33          HG23      ILE  33  -7.788  10.904 -12.742
  275   HD11  ILE  33          HD11      ILE  33  -5.325   6.829 -12.198
  276   HD12  ILE  33          HD12      ILE  33  -4.469   8.318 -12.668
  277   HD13  ILE  33          HD13      ILE  33  -4.568   7.841 -10.962
  278    H    ALA  34           H        ALA  34 -10.319   8.041 -13.693
  279    HA   ALA  34           HA       ALA  34 -11.206   7.206 -11.170
  280    HB1  ALA  34           HB1      ALA  34 -13.457   7.420 -12.147
  281    HB2  ALA  34           HB2      ALA  34 -12.421   8.763 -12.660
  282    HB3  ALA  34           HB3      ALA  34 -12.768   7.422 -13.783
  283    H    THR  35           H        THR  35 -10.373   5.146 -13.865
  284    HA   THR  35           HA       THR  35 -11.704   2.843 -12.535
  285    HB   THR  35           HB       THR  35 -11.433   1.917 -14.972
  286    HG1  THR  35           HG1      THR  35 -10.314   3.680 -15.864
  287   HG21  THR  35          HG21      THR  35 -13.605   2.348 -13.874
  288   HG22  THR  35          HG22      THR  35 -13.504   4.065 -14.322
  289   HG23  THR  35          HG23      THR  35 -13.650   2.816 -15.581
  290    H    ALA  36           H        ALA  36  -8.646   4.144 -13.840
  291    HA   ALA  36           HA       ALA  36  -7.145   1.708 -13.486
  292    HB1  ALA  36           HB1      ALA  36  -5.193   3.201 -13.641
  293    HB2  ALA  36           HB2      ALA  36  -6.375   3.584 -14.909
  294    HB3  ALA  36           HB3      ALA  36  -6.235   4.623 -13.469
  295    H    VAL  37           H        VAL  37  -7.944   4.495 -11.380
  296    HA   VAL  37           HA       VAL  37  -7.052   3.008  -8.987
  297    HB   VAL  37           HB       VAL  37  -6.310   5.918  -9.493
  298   HG11  VAL  37          HG11      VAL  37  -4.925   5.597  -7.467
  299   HG12  VAL  37          HG12      VAL  37  -6.613   5.247  -7.109
  300   HG13  VAL  37          HG13      VAL  37  -5.464   3.913  -7.342
  301   HG21  VAL  37          HG21      VAL  37  -4.913   4.613 -11.004
  302   HG22  VAL  37          HG22      VAL  37  -3.954   5.150  -9.631
  303   HG23  VAL  37          HG23      VAL  37  -4.520   3.467  -9.702
  304    HA   PRO  38           HA       PRO  38 -11.286   4.866  -9.129
  305    HB2  PRO  38           HB2      PRO  38 -12.714   2.820  -7.962
  306    HB3  PRO  38           HB3      PRO  38 -12.240   2.843  -9.686
  307    HG2  PRO  38           HG2      PRO  38 -10.849   1.437  -7.393
  308    HG3  PRO  38           HG3      PRO  38 -11.258   0.786  -9.012
  309    HD2  PRO  38           HD2      PRO  38  -8.772   1.734  -8.423
  310    HD3  PRO  38           HD3      PRO  38  -9.501   1.977 -10.037
  311    H    ASP  39           H        ASP  39  -9.661   3.337  -6.326
  312    HA   ASP  39           HA       ASP  39 -11.172   4.950  -4.377
  313    HB2  ASP  39           HB2      ASP  39 -10.427   2.785  -3.625
  314    HB3  ASP  39           HB3      ASP  39  -8.757   3.132  -4.094
  315    H    LYS  40           H        LYS  40 -10.819   7.099  -4.884
  316    HA   LYS  40           HA       LYS  40  -8.311   8.065  -5.762
  317    HB2  LYS  40           HB2      LYS  40  -9.263  10.278  -5.609
  318    HB3  LYS  40           HB3      LYS  40 -10.393   9.146  -6.336
  319    HG2  LYS  40           HG2      LYS  40 -11.676   9.042  -4.212
  320    HG3  LYS  40           HG3      LYS  40 -10.480  10.087  -3.431
  321    HD2  LYS  40           HD2      LYS  40 -12.408  11.414  -4.031
  322    HD3  LYS  40           HD3      LYS  40 -11.026  11.912  -5.015
  323    HE2  LYS  40           HE2      LYS  40 -11.894  10.534  -6.911
  324    HE3  LYS  40           HE3      LYS  40 -13.289  10.078  -5.922
  325    HZ1  LYS  40           HZ1      LYS  40 -13.810  11.916  -7.389
  326    HZ2  LYS  40           HZ2      LYS  40 -13.898  12.437  -5.848
  327    HZ3  LYS  40           HZ3      LYS  40 -12.606  12.839  -6.781
  328    H    ASN  41           H        ASN  41  -9.015   7.107  -2.569
  329    HA   ASN  41           HA       ASN  41  -7.165   9.068  -1.381
  330    HB2  ASN  41           HB2      ASN  41  -8.992   8.211   0.010
  331    HB3  ASN  41           HB3      ASN  41  -8.417   6.553  -0.227
  332   HD21  ASN  41          HD22      ASN  41  -6.985   9.754   0.799
  333   HD22  ASN  41          HD21      ASN  41  -6.011   9.056   2.062
  334    H    ASP  42           H        ASP  42  -6.914   6.088  -3.190
  335    HA   ASP  42           HA       ASP  42  -4.566   5.046  -1.897
  336    HB2  ASP  42           HB2      ASP  42  -6.075   3.726  -3.403
  337    HB3  ASP  42           HB3      ASP  42  -5.451   4.659  -4.777
  338    H    THR  43           H        THR  43  -2.342   5.186  -2.591
  339    HA   THR  43           HA       THR  43  -1.658   7.877  -3.267
  340    HB   THR  43           HB       THR  43   0.332   5.613  -3.279
  341    HG1  THR  43           HG1      THR  43  -0.487   5.028  -1.497
  342   HG21  THR  43          HG21      THR  43   1.763   7.255  -2.138
  343   HG22  THR  43          HG22      THR  43   1.179   7.880  -3.687
  344   HG23  THR  43          HG23      THR  43   0.442   8.446  -2.174
  345    H    VAL  44           H        VAL  44  -0.935   8.758  -5.214
  346    HA   VAL  44           HA       VAL  44  -0.389   6.896  -7.480
  347    HB   VAL  44           HB       VAL  44  -1.930   9.519  -7.602
  348   HG11  VAL  44          HG11      VAL  44  -0.596   9.211  -9.635
  349   HG12  VAL  44          HG12      VAL  44  -1.188   7.543  -9.802
  350   HG13  VAL  44          HG13      VAL  44  -2.295   8.919  -9.997
  351   HG21  VAL  44          HG21      VAL  44  -2.871   6.656  -8.011
  352   HG22  VAL  44          HG22      VAL  44  -3.382   7.766  -6.722
  353   HG23  VAL  44          HG23      VAL  44  -3.832   8.106  -8.392
  354    H    LYS  45           H        LYS  45   1.369   7.419  -8.718
  355    HA   LYS  45           HA       LYS  45   2.861   9.904  -8.013
  356    HB2  LYS  45           HB2      LYS  45   3.950   7.061  -8.140
  357    HB3  LYS  45           HB3      LYS  45   4.967   8.505  -8.296
  358    HG2  LYS  45           HG2      LYS  45   4.246   9.326  -6.105
  359    HG3  LYS  45           HG3      LYS  45   3.162   7.937  -5.903
  360    HD2  LYS  45           HD2      LYS  45   5.041   6.391  -5.885
  361    HD3  LYS  45           HD3      LYS  45   6.184   7.716  -6.217
  362    HE2  LYS  45           HE2      LYS  45   5.682   8.792  -4.105
  363    HE3  LYS  45           HE3      LYS  45   4.342   7.680  -3.790
  364    HZ1  LYS  45           HZ1      LYS  45   7.166   6.814  -3.952
  365    HZ2  LYS  45           HZ2      LYS  45   6.365   7.113  -2.560
  366    HZ3  LYS  45           HZ3      LYS  45   5.859   5.894  -3.524
  367    H    VAL  46           H        VAL  46   3.339  11.015  -9.742
  368    HA   VAL  46           HA       VAL  46   3.188   9.706 -12.422
  369    HB   VAL  46           HB       VAL  46   2.342  11.883 -13.260
  370   HG11  VAL  46          HG11      VAL  46   0.026  11.521 -12.555
  371   HG12  VAL  46          HG12      VAL  46   0.845   9.978 -12.831
  372   HG13  VAL  46          HG13      VAL  46   0.568  10.550 -11.173
  373   HG21  VAL  46          HG21      VAL  46   1.267  13.479 -11.763
  374   HG22  VAL  46          HG22      VAL  46   1.802  12.581 -10.336
  375   HG23  VAL  46          HG23      VAL  46   2.987  13.388 -11.386
  376    H    TYR  47           H        TYR  47   4.569  10.613 -14.065
  377    HA   TYR  47           HA       TYR  47   6.699  12.431 -13.400
  378    HB2  TYR  47           HB2      TYR  47   8.519  10.865 -13.842
  379    HB3  TYR  47           HB3      TYR  47   7.571  10.228 -12.516
  380    HD1  TYR  47           HD2      TYR  47   5.837   8.378 -13.012
  381    HD2  TYR  47           HD1      TYR  47   8.790   9.642 -15.894
  382    HE1  TYR  47           HE2      TYR  47   5.404   6.337 -14.331
  383    HE2  TYR  47           HE1      TYR  47   8.349   7.582 -17.223
  384    HH   TYR  47           HH       TYR  47   5.966   5.136 -16.268
  385    H    CYS  48           H        CYS  48   7.929  12.876 -15.485
  386    HA   CYS  48           HA       CYS  48   7.048  11.593 -17.913
  387    HB2  CYS  48           HB2      CYS  48   6.177  13.584 -19.045
  388    HB3  CYS  48           HB3      CYS  48   5.197  13.239 -17.614
  389    HG   CYS  48           HG       CYS  48   6.463  14.883 -16.034
  390    H    ASN  49           H        ASN  49   8.254  12.545 -19.784
  391    HA   ASN  49           HA       ASN  49  10.922  12.611 -19.580
  392    HB2  ASN  49           HB2      ASN  49   9.629  12.480 -21.687
  393    HB3  ASN  49           HB3      ASN  49   9.246  14.198 -21.569
  394   HD21  ASN  49          HD22      ASN  49  12.029  11.905 -21.889
  395   HD22  ASN  49          HD21      ASN  49  13.067  13.051 -22.688
  396    H    ALA  50           H        ALA  50   8.942  15.504 -18.950
  397    HA   ALA  50           HA       ALA  50  11.444  17.087 -18.523
  398    HB1  ALA  50           HB1      ALA  50  10.205  17.719 -20.572
  399    HB2  ALA  50           HB2      ALA  50   8.753  18.035 -19.592
  400    HB3  ALA  50           HB3      ALA  50  10.213  19.023 -19.373
  401    H    GLY  51           H        GLY  51   9.032  15.658 -16.748
  402    HA2  GLY  51           HA2      GLY  51   8.417  15.871 -14.570
  403    HA3  GLY  51           HA3      GLY  51   9.464  17.289 -14.419
  404    H    ARG  52           H        ARG  52   8.125  18.837 -16.550
  405    HA   ARG  52           HA       ARG  52   6.169  20.113 -15.011
  406    HB2  ARG  52           HB2      ARG  52   7.366  21.315 -16.715
  407    HB3  ARG  52           HB3      ARG  52   6.818  20.228 -17.982
  408    HG2  ARG  52           HG2      ARG  52   5.708  22.424 -18.080
  409    HG3  ARG  52           HG3      ARG  52   4.579  21.091 -17.917
  410    HD2  ARG  52           HD2      ARG  52   3.895  23.023 -16.576
  411    HD3  ARG  52           HD3      ARG  52   4.210  21.625 -15.548
  412    HE   ARG  52           HE       ARG  52   6.555  23.263 -15.769
  413   HH11  ARG  52          HH11      ARG  52   3.335  23.236 -14.228
  414   HH12  ARG  52          HH12      ARG  52   3.849  24.151 -12.854
  415   HH21  ARG  52          HH21      ARG  52   7.211  24.498 -13.939
  416   HH22  ARG  52          HH22      ARG  52   6.084  24.902 -12.702
  417    H    GLN  53           H        GLN  53   5.604  17.903 -17.834
  418    HA   GLN  53           HA       GLN  53   2.812  18.380 -17.828
  419    HB2  GLN  53           HB2      GLN  53   4.335  15.966 -18.896
  420    HB3  GLN  53           HB3      GLN  53   2.652  16.346 -19.244
  421    HG2  GLN  53           HG2      GLN  53   3.331  18.491 -20.287
  422    HG3  GLN  53           HG3      GLN  53   5.026  18.140 -19.936
  423   HE21  GLN  53          HE22      GLN  53   2.175  16.880 -21.770
  424   HE22  GLN  53          HE21      GLN  53   3.130  16.128 -23.019
  425    H    SER  54           H        SER  54   4.722  15.934 -15.998
  426    HA   SER  54           HA       SER  54   2.362  14.697 -14.890
  427    HB2  SER  54           HB2      SER  54   4.141  13.781 -13.271
  428    HB3  SER  54           HB3      SER  54   4.220  13.338 -14.980
  429    HG   SER  54           HG       SER  54   5.940  14.845 -13.453
  430    H    GLY  55           H        GLY  55   4.458  17.433 -13.929
  431    HA2  GLY  55           HA2      GLY  55   3.361  18.016 -11.393
  432    HA3  GLY  55           HA3      GLY  55   3.962  19.188 -12.587
  433    H    GLN  56           H        GLN  56   2.203  18.923 -14.689
  434    HA   GLN  56           HA       GLN  56  -0.103  20.334 -13.816
  435    HB2  GLN  56           HB2      GLN  56   0.266  18.845 -16.423
  436    HB3  GLN  56           HB3      GLN  56  -0.971  20.054 -16.082
  437    HG2  GLN  56           HG2      GLN  56   2.017  20.487 -16.041
  438    HG3  GLN  56           HG3      GLN  56   0.945  20.989 -17.349
  439   HE21  GLN  56          HE22      GLN  56  -1.022  22.469 -16.363
  440   HE22  GLN  56          HE21      GLN  56  -0.462  23.726 -15.291
  441    H    ALA  57           H        ALA  57   0.283  16.914 -14.942
  442    HA   ALA  57           HA       ALA  57  -2.383  16.109 -14.579
  443    HB1  ALA  57           HB1      ALA  57  -1.519  13.821 -14.472
  444    HB2  ALA  57           HB2      ALA  57  -0.623  14.723 -15.708
  445    HB3  ALA  57           HB3      ALA  57   0.108  14.423 -14.111
  446    H    LYS  58           H        LYS  58   0.227  16.432 -12.207
  447    HA   LYS  58           HA       LYS  58  -1.135  14.991 -10.104
  448    HB2  LYS  58           HB2      LYS  58   1.265  15.332 -10.039
  449    HB3  LYS  58           HB3      LYS  58   1.094  17.082  -9.954
  450    HG2  LYS  58           HG2      LYS  58  -0.266  15.394  -7.859
  451    HG3  LYS  58           HG3      LYS  58   1.485  15.551  -7.779
  452    HD2  LYS  58           HD2      LYS  58   1.438  17.830  -7.312
  453    HD3  LYS  58           HD3      LYS  58  -0.148  18.068  -8.053
  454    HE2  LYS  58           HE2      LYS  58  -1.174  16.671  -6.250
  455    HE3  LYS  58           HE3      LYS  58   0.387  16.623  -5.422
  456    HZ1  LYS  58           HZ1      LYS  58  -1.205  18.415  -4.704
  457    HZ2  LYS  58           HZ2      LYS  58   0.281  18.974  -5.110
  458    HZ3  LYS  58           HZ3      LYS  58  -0.973  19.163  -6.147
  459    H    GLU  59           H        GLU  59  -1.094  18.459 -11.048
  460    HA   GLU  59           HA       GLU  59  -2.837  19.224  -8.872
  461    HB2  GLU  59           HB2      GLU  59  -2.062  20.584 -11.481
  462    HB3  GLU  59           HB3      GLU  59  -3.127  21.323 -10.282
  463    HG2  GLU  59           HG2      GLU  59  -0.271  20.407  -9.712
  464    HG3  GLU  59           HG3      GLU  59  -0.745  22.054 -10.101
  465    H    ILE  60           H        ILE  60  -3.429  18.128 -12.247
  466    HA   ILE  60           HA       ILE  60  -6.242  18.599 -12.243
  467    HB   ILE  60           HB       ILE  60  -4.575  16.456 -13.622
  468   HG12  ILE  60          HG12      ILE  60  -5.881  18.995 -14.708
  469   HG13  ILE  60          HG13      ILE  60  -4.178  18.839 -14.308
  470   HG21  ILE  60          HG21      ILE  60  -6.521  16.006 -15.062
  471   HG22  ILE  60          HG22      ILE  60  -6.883  15.606 -13.400
  472   HG23  ILE  60          HG23      ILE  60  -7.508  17.121 -14.084
  473   HD11  ILE  60          HD11      ILE  60  -4.076  16.899 -15.993
  474   HD12  ILE  60          HD12      ILE  60  -5.668  17.446 -16.554
  475   HD13  ILE  60          HD13      ILE  60  -4.283  18.540 -16.648
  476    H    LEU  61           H        LEU  61  -4.362  15.684 -11.155
  477    HA   LEU  61           HA       LEU  61  -6.714  14.305 -10.291
  478    HB2  LEU  61           HB2      LEU  61  -3.836  13.976  -9.341
  479    HB3  LEU  61           HB3      LEU  61  -5.177  12.880  -9.001
  480    HG   LEU  61           HG       LEU  61  -3.806  13.328 -11.660
  481   HD11  LEU  61          HD11      LEU  61  -3.547  10.891 -11.586
  482   HD12  LEU  61          HD12      LEU  61  -2.840  11.649 -10.158
  483   HD13  LEU  61          HD13      LEU  61  -4.412  10.833 -10.032
  484   HD21  LEU  61          HD21      LEU  61  -6.495  12.010 -11.205
  485   HD22  LEU  61          HD22      LEU  61  -6.125  13.370 -12.293
  486   HD23  LEU  61          HD23      LEU  61  -5.492  11.774 -12.660
  487    H    SER  62           H        SER  62  -4.611  16.633  -8.622
  488    HA   SER  62           HA       SER  62  -5.774  16.320  -6.028
  489    HB2  SER  62           HB2      SER  62  -4.573  18.826  -7.274
  490    HB3  SER  62           HB3      SER  62  -4.804  18.499  -5.550
  491    HG   SER  62           HG       SER  62  -3.127  17.061  -7.365
  492    H    GLU  63           H        GLU  63  -6.697  18.384  -8.858
  493    HA   GLU  63           HA       GLU  63  -8.883  19.672  -7.540
  494    HB2  GLU  63           HB2      GLU  63  -7.726  20.468  -9.601
  495    HB3  GLU  63           HB3      GLU  63  -8.464  19.146 -10.516
  496    HG2  GLU  63           HG2      GLU  63 -10.712  20.028 -10.019
  497    HG3  GLU  63           HG3      GLU  63 -10.012  21.292  -9.003
  498    H    MET  64           H        MET  64  -8.613  16.607  -9.376
  499    HA   MET  64           HA       MET  64 -11.416  15.913  -9.206
  500    HB2  MET  64           HB2      MET  64  -8.926  14.205  -9.599
  501    HB3  MET  64           HB3      MET  64 -10.578  13.598  -9.687
  502    HG2  MET  64           HG2      MET  64 -11.063  15.130 -11.560
  503    HG3  MET  64           HG3      MET  64  -9.423  15.766 -11.472
  504    HE1  MET  64           HE1      MET  64 -11.762  12.925 -12.641
  505    HE2  MET  64           HE2      MET  64 -10.661  11.594 -13.046
  506    HE3  MET  64           HE3      MET  64 -10.931  12.027 -11.349
  507    H    GLY  65           H        GLY  65  -9.123  16.237  -6.714
  508    HA2  GLY  65           HA2      GLY  65  -9.622  16.042  -4.487
  509    HA3  GLY  65           HA3      GLY  65 -10.992  14.984  -4.850
  510    H    TYR  66           H        TYR  66  -7.977  14.013  -6.367
  511    HA   TYR  66           HA       TYR  66  -7.764  11.659  -4.659
  512    HB2  TYR  66           HB2      TYR  66  -5.982  12.802  -6.836
  513    HB3  TYR  66           HB3      TYR  66  -5.546  11.415  -5.852
  514    HD1  TYR  66           HD1      TYR  66  -8.428  12.522  -8.042
  515    HD2  TYR  66           HD2      TYR  66  -5.941   9.288  -6.639
  516    HE1  TYR  66           HE1      TYR  66  -9.704  10.932  -9.452
  517    HE2  TYR  66           HE2      TYR  66  -7.195   7.703  -8.055
  518    HH   TYR  66           HH       TYR  66  -9.052   7.393  -9.381
  519    H    THR  67           H        THR  67  -6.883  11.715  -2.647
  520    HA   THR  67           HA       THR  67  -5.893  14.243  -1.678
  521    HB   THR  67           HB       THR  67  -5.858  12.929   0.503
  522    HG1  THR  67           HG1      THR  67  -5.509  10.873  -0.351
  523   HG21  THR  67          HG21      THR  67  -8.455  12.680  -1.081
  524   HG22  THR  67          HG22      THR  67  -8.271  12.701   0.685
  525   HG23  THR  67          HG23      THR  67  -7.898  14.155  -0.258
  526    H    HIS  68           H        HIS  68  -4.294  11.399  -2.884
  527    HA   HIS  68           HA       HIS  68  -1.711  12.174  -1.597
  528    HB2  HIS  68           HB2      HIS  68  -2.908   9.385  -1.837
  529    HB3  HIS  68           HB3      HIS  68  -1.295   9.768  -1.246
  530    HD1  HIS  68           HD1      HIS  68  -2.878  12.331   0.553
  531    HD2  HIS  68           HD2      HIS  68  -3.210   8.135   0.604
  532    HE1  HIS  68           HE1      HIS  68  -3.791  11.711   2.850
  533    H    VAL  69           H        VAL  69  -1.373  13.271  -3.670
  534    HA   VAL  69           HA       VAL  69  -0.391  11.369  -5.710
  535    HB   VAL  69           HB       VAL  69  -1.738  13.994  -6.431
  536   HG11  VAL  69          HG11      VAL  69  -1.739  13.079  -8.704
  537   HG12  VAL  69          HG12      VAL  69  -0.094  13.070  -8.086
  538   HG13  VAL  69          HG13      VAL  69  -1.013  11.561  -8.134
  539   HG21  VAL  69          HG21      VAL  69  -3.631  12.602  -7.298
  540   HG22  VAL  69          HG22      VAL  69  -2.968  11.210  -6.418
  541   HG23  VAL  69          HG23      VAL  69  -3.523  12.656  -5.541
  542    H    GLU  70           H        GLU  70   1.563  11.907  -6.582
  543    HA   GLU  70           HA       GLU  70   2.767  14.492  -5.817
  544    HB2  GLU  70           HB2      GLU  70   3.385  12.862  -4.071
  545    HB3  GLU  70           HB3      GLU  70   3.936  11.722  -5.300
  546    HG2  GLU  70           HG2      GLU  70   5.814  12.829  -4.260
  547    HG3  GLU  70           HG3      GLU  70   5.730  13.254  -5.963
  548    H    ASN  71           H        ASN  71   4.256  15.212  -7.265
  549    HA   ASN  71           HA       ASN  71   4.501  13.773  -9.876
  550    HB2  ASN  71           HB2      ASN  71   3.763  16.070 -10.202
  551    HB3  ASN  71           HB3      ASN  71   5.028  16.673  -9.116
  552   HD21  ASN  71          HD22      ASN  71   6.194  17.919 -10.705
  553   HD22  ASN  71          HD21      ASN  71   6.815  17.203 -12.178
  554    H    ALA  72           H        ALA  72   6.118  12.376  -9.622
  555    HA   ALA  72           HA       ALA  72   8.003  12.535  -7.503
  556    HB1  ALA  72           HB1      ALA  72   7.213  10.443  -8.525
  557    HB2  ALA  72           HB2      ALA  72   8.002  10.886 -10.057
  558    HB3  ALA  72           HB3      ALA  72   8.983  10.567  -8.598
  559    H    GLY  73           H        GLY  73   8.206  13.547 -10.946
  560    HA2  GLY  73           HA2      GLY  73   9.894  15.576 -10.914
  561    HA3  GLY  73           HA3      GLY  73  11.056  14.264 -10.654
  562    H    GLY  74           H        GLY  74  11.885  15.178 -12.733
  563    HA2  GLY  74           HA2      GLY  74  10.538  14.436 -15.198
  564    HA3  GLY  74           HA3      GLY  74  12.225  14.934 -15.021
  565    H    LEU  75           H        LEU  75  11.149  12.658 -16.513
  566    HA   LEU  75           HA       LEU  75  11.138  10.181 -15.482
  567    HB2  LEU  75           HB2      LEU  75  10.761  10.598 -17.818
  568    HB3  LEU  75           HB3      LEU  75  12.413  11.173 -18.051
  569    HG   LEU  75           HG       LEU  75  13.301   8.892 -17.722
  570   HD11  LEU  75          HD11      LEU  75  11.496   7.949 -16.245
  571   HD12  LEU  75          HD12      LEU  75  10.396   8.004 -17.639
  572   HD13  LEU  75          HD13      LEU  75  11.813   6.945 -17.668
  573   HD21  LEU  75          HD21      LEU  75  12.743   9.696 -19.972
  574   HD22  LEU  75          HD22      LEU  75  12.441   7.960 -19.838
  575   HD23  LEU  75          HD23      LEU  75  11.078   9.095 -19.797
  576    H    LYS  76           H        LYS  76  14.216  11.885 -16.226
  577    HA   LYS  76           HA       LYS  76  15.875   9.621 -15.645
  578    HB2  LYS  76           HB2      LYS  76  16.507  12.607 -15.683
  579    HB3  LYS  76           HB3      LYS  76  17.712  11.322 -15.551
  580    HG2  LYS  76           HG2      LYS  76  17.007  10.402 -17.748
  581    HG3  LYS  76           HG3      LYS  76  15.782  11.661 -17.891
  582    HD2  LYS  76           HD2      LYS  76  17.686  12.292 -19.234
  583    HD3  LYS  76           HD3      LYS  76  17.512  13.408 -17.888
  584    HE2  LYS  76           HE2      LYS  76  19.848  12.952 -18.186
  585    HE3  LYS  76           HE3      LYS  76  19.341  12.222 -16.666
  586    HZ1  LYS  76           HZ1      LYS  76  20.751  10.746 -17.964
  587    HZ2  LYS  76           HZ2      LYS  76  19.280  10.069 -17.811
  588    HZ3  LYS  76           HZ3      LYS  76  19.724  10.765 -19.224
  589    H    ASP  77           H        ASP  77  14.297  11.930 -13.500
  590    HA   ASP  77           HA       ASP  77  16.253  11.629 -11.357
  591    HB2  ASP  77           HB2      ASP  77  14.955  13.716 -11.669
  592    HB3  ASP  77           HB3      ASP  77  13.462  12.837 -11.318
  593    H    ILE  78           H        ILE  78  13.060  10.160 -12.223
  594    HA   ILE  78           HA       ILE  78  12.663   8.889  -9.702
  595    HB   ILE  78           HB       ILE  78  11.650   8.206 -12.502
  596   HG12  ILE  78          HG12      ILE  78   9.454   8.925 -11.525
  597   HG13  ILE  78          HG13      ILE  78  10.292   9.439 -10.061
  598   HG21  ILE  78          HG21      ILE  78  10.978   6.930  -9.809
  599   HG22  ILE  78          HG22      ILE  78   9.967   6.760 -11.247
  600   HG23  ILE  78          HG23      ILE  78  11.607   6.132 -11.281
  601   HD11  ILE  78          HD11      ILE  78  10.797  10.577 -12.835
  602   HD12  ILE  78          HD12      ILE  78   9.658  11.266 -11.669
  603   HD13  ILE  78          HD13      ILE  78  11.372  11.253 -11.279
  604    H    ALA  79           H        ALA  79  13.791   7.270  -8.774
  605    HA   ALA  79           HA       ALA  79  15.759   5.800 -10.411
  606    HB1  ALA  79           HB1      ALA  79  16.583   7.180  -8.500
  607    HB2  ALA  79           HB2      ALA  79  15.609   6.190  -7.386
  608    HB3  ALA  79           HB3      ALA  79  16.955   5.461  -8.287
  609    H    MET  80           H        MET  80  12.957   5.124 -10.309
  610    HA   MET  80           HA       MET  80  12.763   2.481  -9.019
  611    HB2  MET  80           HB2      MET  80  11.006   3.915 -11.061
  612    HB3  MET  80           HB3      MET  80  10.681   2.297 -10.470
  613    HG2  MET  80           HG2      MET  80  10.833   4.777  -8.720
  614    HG3  MET  80           HG3      MET  80   9.352   4.057  -9.334
  615    HE1  MET  80           HE1      MET  80   8.298   1.838  -8.563
  616    HE2  MET  80           HE2      MET  80   9.742   0.869  -8.926
  617    HE3  MET  80           HE3      MET  80   8.978   0.753  -7.331
  618    HA   PRO  81           HA       PRO  81  14.519   0.219 -12.552
  619    HB2  PRO  81           HB2      PRO  81  12.137  -1.594 -12.157
  620    HB3  PRO  81           HB3      PRO  81  13.863  -2.032 -12.345
  621    HG2  PRO  81           HG2      PRO  81  12.684  -2.091  -9.902
  622    HG3  PRO  81           HG3      PRO  81  14.339  -1.423 -10.089
  623    HD2  PRO  81           HD2      PRO  81  11.719   0.081  -9.893
  624    HD3  PRO  81           HD3      PRO  81  13.280   0.405  -9.075
  625    H    LYS  82           H        LYS  82  13.886  -0.291 -14.827
  626    HA   LYS  82           HA       LYS  82  11.331   0.944 -15.683
  627    HB2  LYS  82           HB2      LYS  82  14.089   1.638 -16.790
  628    HB3  LYS  82           HB3      LYS  82  12.539   2.195 -17.436
  629    HG2  LYS  82           HG2      LYS  82  12.040   3.302 -15.250
  630    HG3  LYS  82           HG3      LYS  82  13.634   2.794 -14.670
  631    HD2  LYS  82           HD2      LYS  82  14.707   4.148 -16.467
  632    HD3  LYS  82           HD3      LYS  82  13.100   4.687 -16.982
  633    HE2  LYS  82           HE2      LYS  82  14.098   6.390 -15.544
  634    HE3  LYS  82           HE3      LYS  82  12.691   5.684 -14.751
  635    HZ1  LYS  82           HZ1      LYS  82  14.210   4.333 -13.393
  636    HZ2  LYS  82           HZ2      LYS  82  15.514   4.985 -14.157
  637    HZ3  LYS  82           HZ3      LYS  82  14.549   5.931 -13.235
  638    H    VAL  83           H        VAL  83  10.778   0.463 -17.859
  639    HA   VAL  83           HA       VAL  83  11.910  -1.985 -19.075
  640    HB   VAL  83           HB       VAL  83   8.981  -1.507 -18.336
  641   HG11  VAL  83          HG11      VAL  83   8.579  -3.808 -19.239
  642   HG12  VAL  83          HG12      VAL  83   9.018  -2.658 -20.489
  643   HG13  VAL  83          HG13      VAL  83  10.232  -3.820 -19.888
  644   HG21  VAL  83          HG21      VAL  83  10.931  -3.637 -17.368
  645   HG22  VAL  83          HG22      VAL  83  10.253  -2.315 -16.398
  646   HG23  VAL  83          HG23      VAL  83   9.195  -3.585 -16.996
  647    H    LYS  84           H        LYS  84  10.942  -2.046 -21.457
  648    HA   LYS  84           HA       LYS  84  10.298   0.631 -22.484
  649    HB2  LYS  84           HB2      LYS  84  12.226   0.754 -23.922
  650    HB3  LYS  84           HB3      LYS  84  12.753   0.664 -22.245
  651    HG2  LYS  84           HG2      LYS  84  13.243  -1.779 -22.565
  652    HG3  LYS  84           HG3      LYS  84  12.803  -1.623 -24.271
  653    HD2  LYS  84           HD2      LYS  84  15.049  -0.112 -22.865
  654    HD3  LYS  84           HD3      LYS  84  15.250  -1.543 -23.887
  655    HE2  LYS  84           HE2      LYS  84  14.300  -0.299 -25.822
  656    HE3  LYS  84           HE3      LYS  84  14.120   1.139 -24.808
  657    HZ1  LYS  84           HZ1      LYS  84  16.701  -0.158 -25.461
  658    HZ2  LYS  84           HZ2      LYS  84  16.143   1.224 -26.117
  659    HZ3  LYS  84           HZ3      LYS  84  16.523   1.179 -24.534
  660    H    GLY  85           H        GLY  85  10.199   0.504 -24.970
  661    HA2  GLY  85           HA2      GLY  85   8.968  -0.270 -26.729
  662    HA3  GLY  85           HA3      GLY  85   9.638  -1.872 -26.375
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1  -2.559   1.063  -1.247
    2    H2   ALA   1           H2       ALA   1  -3.425   0.798  -2.615
    3    H3   ALA   1           H3       ALA   1  -3.278  -0.403  -1.483
    4    HA   ALA   1           HA       ALA   1  -0.902  -0.523  -1.921
    5    HB1  ALA   1           HB1      ALA   1  -1.022  -1.610  -4.081
    6    HB2  ALA   1           HB2      ALA   1  -2.486  -1.994  -3.177
    7    HB3  ALA   1           HB3      ALA   1  -2.544  -0.782  -4.476
    8    H    GLU   2           H        GLU   2  -0.073  -0.023  -4.681
    9    HA   GLU   2           HA       GLU   2   0.173   2.911  -4.806
   10    HB2  GLU   2           HB2      GLU   2   2.549   1.055  -5.230
   11    HB3  GLU   2           HB3      GLU   2   2.545   2.817  -5.192
   12    HG2  GLU   2           HG2      GLU   2   1.997   2.692  -2.722
   13    HG3  GLU   2           HG3      GLU   2   2.127   0.941  -2.820
   14    H    HIS   3           H        HIS   3   0.685   3.613  -6.974
   15    HA   HIS   3           HA       HIS   3   0.769   1.634  -9.153
   16    HB2  HIS   3           HB2      HIS   3  -1.294   3.879  -8.944
   17    HB3  HIS   3           HB3      HIS   3  -0.824   3.155 -10.473
   18    HD1  HIS   3           HD1      HIS   3  -2.653   2.153  -7.224
   19    HD2  HIS   3           HD2      HIS   3  -1.891   0.840 -11.157
   20    HE1  HIS   3           HE1      HIS   3  -4.194   0.161  -7.633
   21    H    TRP   4           H        TRP   4   1.509   2.791 -11.176
   22    HA   TRP   4           HA       TRP   4   2.911   5.354 -10.657
   23    HB2  TRP   4           HB2      TRP   4   4.022   2.927 -12.119
   24    HB3  TRP   4           HB3      TRP   4   4.730   4.533 -12.149
   25    HD1  TRP   4           HD1      TRP   4   4.292   1.506  -9.878
   26    HE1  TRP   4           HE1      TRP   4   5.944   1.618  -7.941
   27    HE3  TRP   4           HE3      TRP   4   6.096   6.238 -10.651
   28    HZ2  TRP   4           HZ2      TRP   4   7.887   3.506  -6.889
   29    HZ3  TRP   4           HZ3      TRP   4   7.853   7.160  -9.165
   30    HH2  TRP   4           HH2      TRP   4   8.773   5.799  -7.303
   31    H    ILE   5           H        ILE   5   2.467   6.809 -12.276
   32    HA   ILE   5           HA       ILE   5   1.084   5.825 -14.727
   33    HB   ILE   5           HB       ILE   5   0.444   8.374 -13.208
   34   HG12  ILE   5          HG12      ILE   5  -0.226   6.517 -11.748
   35   HG13  ILE   5          HG13      ILE   5  -1.578   7.449 -12.353
   36   HG21  ILE   5          HG21      ILE   5  -1.585   8.379 -14.642
   37   HG22  ILE   5          HG22      ILE   5  -0.097   8.424 -15.599
   38   HG23  ILE   5          HG23      ILE   5  -0.992   6.911 -15.459
   39   HD11  ILE   5          HD11      ILE   5  -1.994   4.987 -12.254
   40   HD12  ILE   5          HD12      ILE   5  -2.255   5.685 -13.854
   41   HD13  ILE   5          HD13      ILE   5  -0.786   4.753 -13.528
   42    H    ASP   6           H        ASP   6   1.940   6.582 -16.543
   43    HA   ASP   6           HA       ASP   6   3.997   8.754 -16.536
   44    HB2  ASP   6           HB2      ASP   6   4.760   6.789 -17.733
   45    HB3  ASP   6           HB3      ASP   6   3.211   6.601 -18.529
   46    H    VAL   7           H        VAL   7   3.089  10.667 -16.986
   47    HA   VAL   7           HA       VAL   7   0.498  10.694 -18.463
   48    HB   VAL   7           HB       VAL   7  -0.096  12.742 -17.383
   49   HG11  VAL   7          HG11      VAL   7  -0.635  10.658 -16.237
   50   HG12  VAL   7          HG12      VAL   7   0.916  10.694 -15.375
   51   HG13  VAL   7          HG13      VAL   7  -0.305  11.951 -15.081
   52   HG21  VAL   7          HG21      VAL   7   2.564  12.582 -15.884
   53   HG22  VAL   7          HG22      VAL   7   2.214  13.730 -17.200
   54   HG23  VAL   7          HG23      VAL   7   1.298  13.805 -15.707
   55    H    ARG   8           H        ARG   8   3.356  10.812 -19.692
   56    HA   ARG   8           HA       ARG   8   2.759  13.246 -21.329
   57    HB2  ARG   8           HB2      ARG   8   5.296  12.137 -20.499
   58    HB3  ARG   8           HB3      ARG   8   5.158  11.965 -22.257
   59    HG2  ARG   8           HG2      ARG   8   4.423  14.390 -22.375
   60    HG3  ARG   8           HG3      ARG   8   4.785  14.527 -20.647
   61    HD2  ARG   8           HD2      ARG   8   7.142  13.902 -21.132
   62    HD3  ARG   8           HD3      ARG   8   6.748  13.805 -22.869
   63    HE   ARG   8           HE       ARG   8   5.976  16.323 -21.592
   64   HH11  ARG   8          HH11      ARG   8   8.709  14.764 -23.276
   65   HH12  ARG   8          HH12      ARG   8   9.496  16.261 -23.599
   66   HH21  ARG   8          HH21      ARG   8   6.933  18.198 -22.044
   67   HH22  ARG   8          HH22      ARG   8   8.445  18.308 -22.901
   68    H    VAL   9           H        VAL   9   3.540  12.736 -23.682
   69    HA   VAL   9           HA       VAL   9   1.627  11.119 -24.950
   70    HB   VAL   9           HB       VAL   9   3.293  11.359 -26.894
   71   HG11  VAL   9          HG11      VAL   9   2.746  13.739 -27.211
   72   HG12  VAL   9          HG12      VAL   9   1.357  12.849 -26.572
   73   HG13  VAL   9          HG13      VAL   9   2.313  13.888 -25.495
   74   HG21  VAL   9          HG21      VAL   9   5.365  11.711 -25.484
   75   HG22  VAL   9          HG22      VAL   9   5.100  12.930 -26.738
   76   HG23  VAL   9          HG23      VAL   9   4.739  13.315 -25.052
   77    HA   PRO  10           HA       PRO  10   3.270   6.949 -24.677
   78    HB2  PRO  10           HB2      PRO  10   2.648   6.840 -27.629
   79    HB3  PRO  10           HB3      PRO  10   2.261   5.648 -26.350
   80    HG2  PRO  10           HG2      PRO  10   0.358   7.343 -27.297
   81    HG3  PRO  10           HG3      PRO  10   0.464   6.981 -25.547
   82    HD2  PRO  10           HD2      PRO  10   1.448   9.420 -27.027
   83    HD3  PRO  10           HD3      PRO  10   0.634   9.298 -25.437
   84    H    GLU  11           H        GLU  11   4.392   9.218 -27.215
   85    HA   GLU  11           HA       GLU  11   6.513   7.819 -28.277
   86    HB2  GLU  11           HB2      GLU  11   5.565  10.080 -28.935
   87    HB3  GLU  11           HB3      GLU  11   6.437  10.782 -27.575
   88    HG2  GLU  11           HG2      GLU  11   7.727  11.174 -29.523
   89    HG3  GLU  11           HG3      GLU  11   8.586   9.958 -28.587
   90    H    GLN  12           H        GLN  12   6.444   9.588 -25.093
   91    HA   GLN  12           HA       GLN  12   9.268   9.162 -24.690
   92    HB2  GLN  12           HB2      GLN  12   9.087  10.298 -22.783
   93    HB3  GLN  12           HB3      GLN  12   7.698  10.923 -23.627
   94    HG2  GLN  12           HG2      GLN  12   6.859  10.607 -21.506
   95    HG3  GLN  12           HG3      GLN  12   6.319   9.145 -22.299
   96   HE21  GLN  12          HE22      GLN  12   6.324   7.700 -20.530
   97   HE22  GLN  12          HE21      GLN  12   7.724   7.371 -19.520
   98    H    TYR  13           H        TYR  13   6.320   7.393 -23.732
   99    HA   TYR  13           HA       TYR  13   7.449   5.465 -22.072
  100    HB2  TYR  13           HB2      TYR  13   4.988   6.094 -22.595
  101    HB3  TYR  13           HB3      TYR  13   5.118   5.047 -23.987
  102    HD1  TYR  13           HD1      TYR  13   4.951   5.205 -20.314
  103    HD2  TYR  13           HD2      TYR  13   5.111   2.608 -23.755
  104    HE1  TYR  13           HE1      TYR  13   4.095   3.350 -18.937
  105    HE2  TYR  13           HE2      TYR  13   4.269   0.730 -22.377
  106    HH   TYR  13           HH       TYR  13   3.381   1.159 -18.911
  107    H    GLN  14           H        GLN  14   7.063   5.544 -25.629
  108    HA   GLN  14           HA       GLN  14   8.177   2.970 -26.076
  109    HB2  GLN  14           HB2      GLN  14   7.791   5.375 -27.909
  110    HB3  GLN  14           HB3      GLN  14   8.330   3.793 -28.463
  111    HG2  GLN  14           HG2      GLN  14   5.623   4.491 -27.279
  112    HG3  GLN  14           HG3      GLN  14   5.989   3.922 -28.900
  113   HE21  GLN  14          HE22      GLN  14   7.475   1.680 -28.636
  114   HE22  GLN  14          HE21      GLN  14   6.705   0.491 -27.611
  115    H    GLN  15           H        GLN  15   9.864   5.780 -25.030
  116    HA   GLN  15           HA       GLN  15  12.395   4.855 -26.294
  117    HB2  GLN  15           HB2      GLN  15  12.135   6.961 -24.108
  118    HB3  GLN  15           HB3      GLN  15  13.496   6.626 -25.169
  119    HG2  GLN  15           HG2      GLN  15  10.858   7.947 -25.821
  120    HG3  GLN  15           HG3      GLN  15  12.459   8.647 -25.912
  121   HE21  GLN  15          HE22      GLN  15   9.977   7.514 -27.795
  122   HE22  GLN  15          HE21      GLN  15  10.870   7.078 -29.238
  123    H    GLU  16           H        GLU  16  11.308   5.537 -22.928
  124    HA   GLU  16           HA       GLU  16  11.279   2.845 -22.165
  125    HB2  GLU  16           HB2      GLU  16  13.024   2.840 -20.411
  126    HB3  GLU  16           HB3      GLU  16  13.702   3.034 -22.023
  127    HG2  GLU  16           HG2      GLU  16  13.862   5.538 -21.557
  128    HG3  GLU  16           HG3      GLU  16  13.384   5.166 -19.891
  129    H    HIS  17           H        HIS  17  10.489   2.672 -19.939
  130    HA   HIS  17           HA       HIS  17   9.313   5.153 -18.804
  131    HB2  HIS  17           HB2      HIS  17   7.123   3.867 -18.708
  132    HB3  HIS  17           HB3      HIS  17   7.615   4.404 -20.304
  133    HD1  HIS  17           HD1      HIS  17   8.193   2.459 -22.098
  134    HD2  HIS  17           HD2      HIS  17   7.132   1.184 -18.227
  135    HE1  HIS  17           HE1      HIS  17   7.835  -0.058 -22.238
  136    H    VAL  18           H        VAL  18   8.678   4.879 -16.607
  137    HA   VAL  18           HA       VAL  18  10.223   3.189 -14.934
  138    HB   VAL  18           HB       VAL  18   7.541   4.572 -14.482
  139   HG11  VAL  18          HG11      VAL  18   9.425   3.295 -12.461
  140   HG12  VAL  18          HG12      VAL  18   8.094   4.397 -12.041
  141   HG13  VAL  18          HG13      VAL  18   7.741   2.841 -12.789
  142   HG21  VAL  18          HG21      VAL  18   9.401   6.128 -14.998
  143   HG22  VAL  18          HG22      VAL  18   8.877   6.287 -13.330
  144   HG23  VAL  18          HG23      VAL  18  10.377   5.399 -13.706
  145    H    GLN  19           H        GLN  19   9.987   1.108 -14.316
  146    HA   GLN  19           HA       GLN  19   8.592  -0.680 -15.905
  147    HB2  GLN  19           HB2      GLN  19  10.557  -1.174 -14.524
  148    HB3  GLN  19           HB3      GLN  19   9.609  -1.047 -13.046
  149    HG2  GLN  19           HG2      GLN  19   8.915  -3.053 -15.237
  150    HG3  GLN  19           HG3      GLN  19  10.166  -3.385 -14.052
  151   HE21  GLN  19          HE22      GLN  19   6.687  -3.265 -14.556
  152   HE22  GLN  19          HE21      GLN  19   6.256  -3.792 -12.952
  153    H    GLY  20           H        GLY  20   6.480  -1.056 -16.142
  154    HA2  GLY  20           HA2      GLY  20   4.391  -1.796 -15.543
  155    HA3  GLY  20           HA3      GLY  20   4.789  -1.583 -13.833
  156    H    ALA  21           H        ALA  21   5.480   1.335 -15.474
  157    HA   ALA  21           HA       ALA  21   3.245   2.691 -14.297
  158    HB1  ALA  21           HB1      ALA  21   3.910   4.660 -15.677
  159    HB2  ALA  21           HB2      ALA  21   5.286   3.937 -14.815
  160    HB3  ALA  21           HB3      ALA  21   5.062   3.637 -16.557
  161    H    ILE  22           H        ILE  22   1.286   3.369 -15.166
  162    HA   ILE  22           HA       ILE  22   0.427   2.135 -17.728
  163    HB   ILE  22           HB       ILE  22  -1.219   3.906 -15.875
  164   HG12  ILE  22          HG12      ILE  22  -0.984   0.865 -15.731
  165   HG13  ILE  22          HG13      ILE  22  -0.399   2.002 -14.514
  166   HG21  ILE  22          HG21      ILE  22  -3.122   2.860 -17.020
  167   HG22  ILE  22          HG22      ILE  22  -2.019   3.485 -18.236
  168   HG23  ILE  22          HG23      ILE  22  -2.039   1.748 -17.882
  169   HD11  ILE  22          HD11      ILE  22  -2.454   1.101 -13.720
  170   HD12  ILE  22          HD12      ILE  22  -2.734   2.801 -14.142
  171   HD13  ILE  22          HD13      ILE  22  -3.307   1.498 -15.216
  172    H    ASN  23           H        ASN  23   0.512   3.402 -19.624
  173    HA   ASN  23           HA       ASN  23   1.277   6.241 -19.406
  174    HB2  ASN  23           HB2      ASN  23   2.235   4.965 -21.256
  175    HB3  ASN  23           HB3      ASN  23   0.615   4.561 -21.846
  176   HD21  ASN  23          HD22      ASN  23   2.893   7.369 -21.265
  177   HD22  ASN  23          HD21      ASN  23   1.979   8.482 -22.237
  178    H    ILE  24           H        ILE  24  -0.196   7.693 -18.908
  179    HA   ILE  24           HA       ILE  24  -2.916   7.594 -20.063
  180    HB   ILE  24           HB       ILE  24  -2.431   8.228 -17.126
  181   HG12  ILE  24          HG12      ILE  24  -3.509   5.649 -18.324
  182   HG13  ILE  24          HG13      ILE  24  -2.055   5.850 -17.345
  183   HG21  ILE  24          HG21      ILE  24  -4.859   8.341 -17.019
  184   HG22  ILE  24          HG22      ILE  24  -4.337   9.355 -18.361
  185   HG23  ILE  24          HG23      ILE  24  -4.986   7.742 -18.692
  186   HD11  ILE  24          HD11      ILE  24  -4.935   6.094 -16.438
  187   HD12  ILE  24          HD12      ILE  24  -3.692   4.955 -15.893
  188   HD13  ILE  24          HD13      ILE  24  -3.569   6.673 -15.460
  189    HA   PRO  25           HA       PRO  25  -0.349  11.344 -20.793
  190    HB2  PRO  25           HB2      PRO  25  -2.473  11.693 -22.914
  191    HB3  PRO  25           HB3      PRO  25  -0.710  12.018 -23.015
  192    HG2  PRO  25           HG2      PRO  25  -1.686   9.730 -24.061
  193    HG3  PRO  25           HG3      PRO  25  -0.213   9.663 -23.031
  194    HD2  PRO  25           HD2      PRO  25  -3.080   9.113 -22.216
  195    HD3  PRO  25           HD3      PRO  25  -1.627   8.117 -21.916
  196    H    LEU  26           H        LEU  26  -0.626  13.497 -20.220
  197    HA   LEU  26           HA       LEU  26  -2.515  14.209 -18.370
  198    HB2  LEU  26           HB2      LEU  26  -0.372  15.268 -18.659
  199    HB3  LEU  26           HB3      LEU  26  -0.838  15.971 -20.203
  200    HG   LEU  26           HG       LEU  26  -2.608  16.616 -17.870
  201   HD11  LEU  26          HD11      LEU  26  -0.394  16.757 -16.820
  202   HD12  LEU  26          HD12      LEU  26   0.149  17.874 -18.088
  203   HD13  LEU  26          HD13      LEU  26  -1.165  18.336 -16.984
  204   HD21  LEU  26          HD21      LEU  26  -1.368  18.365 -20.050
  205   HD22  LEU  26          HD22      LEU  26  -2.994  17.660 -20.116
  206   HD23  LEU  26          HD23      LEU  26  -2.611  18.868 -18.887
  207    H    LYS  27           H        LYS  27  -2.886  14.510 -21.877
  208    HA   LYS  27           HA       LYS  27  -5.128  16.253 -21.945
  209    HB2  LYS  27           HB2      LYS  27  -4.372  13.950 -23.802
  210    HB3  LYS  27           HB3      LYS  27  -5.591  15.181 -24.152
  211    HG2  LYS  27           HG2      LYS  27  -3.860  16.955 -23.994
  212    HG3  LYS  27           HG3      LYS  27  -2.621  15.716 -23.711
  213    HD2  LYS  27           HD2      LYS  27  -3.167  14.670 -25.895
  214    HD3  LYS  27           HD3      LYS  27  -4.364  15.929 -26.213
  215    HE2  LYS  27           HE2      LYS  27  -1.378  16.408 -25.762
  216    HE3  LYS  27           HE3      LYS  27  -2.142  16.266 -27.346
  217    HZ1  LYS  27           HZ1      LYS  27  -1.879  18.566 -26.732
  218    HZ2  LYS  27           HZ2      LYS  27  -3.468  18.229 -26.824
  219    HZ3  LYS  27           HZ3      LYS  27  -2.742  18.385 -25.364
  220    H    GLU  28           H        GLU  28  -4.948  12.950 -20.825
  221    HA   GLU  28           HA       GLU  28  -7.923  12.665 -20.955
  222    HB2  GLU  28           HB2      GLU  28  -5.799  10.507 -21.157
  223    HB3  GLU  28           HB3      GLU  28  -7.550  10.319 -21.356
  224    HG2  GLU  28           HG2      GLU  28  -7.427  11.776 -23.392
  225    HG3  GLU  28           HG3      GLU  28  -5.664  11.792 -23.240
  226    H    VAL  29           H        VAL  29  -5.068  12.521 -18.945
  227    HA   VAL  29           HA       VAL  29  -5.622  10.692 -17.066
  228    HB   VAL  29           HB       VAL  29  -3.602  12.273 -17.340
  229   HG11  VAL  29          HG11      VAL  29  -4.997  13.966 -15.247
  230   HG12  VAL  29          HG12      VAL  29  -3.397  14.199 -15.965
  231   HG13  VAL  29          HG13      VAL  29  -4.839  14.420 -16.961
  232   HG21  VAL  29          HG21      VAL  29  -4.524  11.558 -14.531
  233   HG22  VAL  29          HG22      VAL  29  -3.687  10.482 -15.673
  234   HG23  VAL  29          HG23      VAL  29  -2.858  11.908 -15.040
  235    H    LYS  30           H        LYS  30  -7.247  13.847 -17.200
  236    HA   LYS  30           HA       LYS  30  -8.328  13.847 -14.603
  237    HB2  LYS  30           HB2      LYS  30  -8.267  15.739 -16.362
  238    HB3  LYS  30           HB3      LYS  30  -9.723  15.019 -17.052
  239    HG2  LYS  30           HG2      LYS  30 -10.944  15.355 -14.972
  240    HG3  LYS  30           HG3      LYS  30  -9.459  15.822 -14.122
  241    HD2  LYS  30           HD2      LYS  30  -9.282  17.858 -15.504
  242    HD3  LYS  30           HD3      LYS  30 -10.766  17.407 -16.371
  243    HE2  LYS  30           HE2      LYS  30 -12.090  17.557 -14.356
  244    HE3  LYS  30           HE3      LYS  30 -10.655  17.708 -13.336
  245    HZ1  LYS  30           HZ1      LYS  30 -11.865  19.818 -13.803
  246    HZ2  LYS  30           HZ2      LYS  30 -10.268  19.881 -14.113
  247    HZ3  LYS  30           HZ3      LYS  30 -11.360  19.751 -15.351
  248    H    GLU  31           H        GLU  31  -9.397  12.042 -17.469
  249    HA   GLU  31           HA       GLU  31 -11.866  11.194 -16.026
  250    HB2  GLU  31           HB2      GLU  31 -12.153  12.197 -18.249
  251    HB3  GLU  31           HB3      GLU  31 -11.036  11.019 -18.956
  252    HG2  GLU  31           HG2      GLU  31 -12.544   9.182 -18.365
  253    HG3  GLU  31           HG3      GLU  31 -13.624  10.299 -17.523
  254    H    ARG  32           H        ARG  32  -9.005   9.954 -17.859
  255    HA   ARG  32           HA       ARG  32  -9.699   7.216 -17.546
  256    HB2  ARG  32           HB2      ARG  32  -7.104   8.645 -18.182
  257    HB3  ARG  32           HB3      ARG  32  -7.191   6.879 -18.062
  258    HG2  ARG  32           HG2      ARG  32  -8.942   6.841 -19.837
  259    HG3  ARG  32           HG3      ARG  32  -8.823   8.600 -19.973
  260    HD2  ARG  32           HD2      ARG  32  -7.523   7.603 -21.751
  261    HD3  ARG  32           HD3      ARG  32  -6.424   8.382 -20.598
  262    HE   ARG  32           HE       ARG  32  -6.814   5.582 -20.000
  263   HH11  ARG  32          HH11      ARG  32  -5.128   7.637 -22.384
  264   HH12  ARG  32          HH12      ARG  32  -3.724   6.618 -22.426
  265   HH21  ARG  32          HH21      ARG  32  -4.911   4.259 -20.095
  266   HH22  ARG  32          HH22      ARG  32  -3.507   4.835 -20.925
  267    H    ILE  33           H        ILE  33  -8.246   9.350 -15.161
  268    HA   ILE  33           HA       ILE  33  -6.928   7.459 -13.586
  269    HB   ILE  33           HB       ILE  33  -6.895   9.857 -13.142
  270   HG12  ILE  33          HG12      ILE  33  -7.130   9.861 -10.680
  271   HG13  ILE  33          HG13      ILE  33  -7.963   8.312 -10.739
  272   HG21  ILE  33          HG21      ILE  33  -9.749   9.636 -12.072
  273   HG22  ILE  33          HG22      ILE  33  -8.738  11.075 -12.104
  274   HG23  ILE  33          HG23      ILE  33  -9.302  10.389 -13.619
  275   HD11  ILE  33          HD11      ILE  33  -5.110   8.796 -11.710
  276   HD12  ILE  33          HD12      ILE  33  -5.562   8.125 -10.129
  277   HD13  ILE  33          HD13      ILE  33  -5.933   7.218 -11.602
  278    H    ALA  34           H        ALA  34 -10.471   8.019 -13.906
  279    HA   ALA  34           HA       ALA  34 -11.182   6.536 -11.579
  280    HB1  ALA  34           HB1      ALA  34 -12.795   7.102 -14.113
  281    HB2  ALA  34           HB2      ALA  34 -13.452   6.555 -12.556
  282    HB3  ALA  34           HB3      ALA  34 -12.691   8.153 -12.679
  283    H    THR  35           H        THR  35 -10.869   5.560 -15.038
  284    HA   THR  35           HA       THR  35 -11.682   2.837 -14.569
  285    HB   THR  35           HB       THR  35 -10.504   2.675 -16.942
  286    HG1  THR  35           HG1      THR  35  -9.467   4.725 -16.835
  287   HG21  THR  35          HG21      THR  35 -12.535   3.613 -17.992
  288   HG22  THR  35          HG22      THR  35 -12.944   2.626 -16.579
  289   HG23  THR  35          HG23      THR  35 -12.979   4.399 -16.459
  290    H    ALA  36           H        ALA  36  -8.524   4.552 -14.621
  291    HA   ALA  36           HA       ALA  36  -6.960   2.144 -14.634
  292    HB1  ALA  36           HB1      ALA  36  -6.252   4.992 -13.794
  293    HB2  ALA  36           HB2      ALA  36  -5.098   3.677 -14.106
  294    HB3  ALA  36           HB3      ALA  36  -6.111   4.297 -15.427
  295    H    VAL  37           H        VAL  37  -8.039   4.357 -11.999
  296    HA   VAL  37           HA       VAL  37  -7.296   2.329  -9.977
  297    HB   VAL  37           HB       VAL  37  -6.568   5.162  -9.625
  298   HG11  VAL  37          HG11      VAL  37  -5.761   2.580  -8.216
  299   HG12  VAL  37          HG12      VAL  37  -5.192   4.203  -7.796
  300   HG13  VAL  37          HG13      VAL  37  -6.892   3.798  -7.588
  301   HG21  VAL  37          HG21      VAL  37  -4.736   2.927 -10.579
  302   HG22  VAL  37          HG22      VAL  37  -5.118   4.434 -11.450
  303   HG23  VAL  37          HG23      VAL  37  -4.183   4.495  -9.963
  304    HA   PRO  38           HA       PRO  38 -11.625   3.657  -9.365
  305    HB2  PRO  38           HB2      PRO  38 -11.430   1.297  -7.487
  306    HB3  PRO  38           HB3      PRO  38 -12.773   1.758  -8.582
  307    HG2  PRO  38           HG2      PRO  38 -11.059  -0.208  -9.296
  308    HG3  PRO  38           HG3      PRO  38 -11.547   1.029 -10.503
  309    HD2  PRO  38           HD2      PRO  38  -9.000   0.899  -8.872
  310    HD3  PRO  38           HD3      PRO  38  -9.219   1.267 -10.611
  311    H    ASP  39           H        ASP  39  -8.996   3.763  -7.121
  312    HA   ASP  39           HA       ASP  39 -10.663   5.136  -5.070
  313    HB2  ASP  39           HB2      ASP  39 -10.328   2.899  -4.237
  314    HB3  ASP  39           HB3      ASP  39  -8.602   2.958  -4.618
  315    H    LYS  40           H        LYS  40  -9.965   7.164  -5.079
  316    HA   LYS  40           HA       LYS  40  -7.408   8.011  -6.075
  317    HB2  LYS  40           HB2      LYS  40  -9.434   9.525  -4.377
  318    HB3  LYS  40           HB3      LYS  40  -8.128  10.236  -5.332
  319    HG2  LYS  40           HG2      LYS  40  -9.165   9.559  -7.422
  320    HG3  LYS  40           HG3      LYS  40 -10.404   8.624  -6.566
  321    HD2  LYS  40           HD2      LYS  40 -11.201  10.728  -5.468
  322    HD3  LYS  40           HD3      LYS  40 -10.081  11.650  -6.496
  323    HE2  LYS  40           HE2      LYS  40 -11.198  10.868  -8.514
  324    HE3  LYS  40           HE3      LYS  40 -12.172   9.714  -7.592
  325    HZ1  LYS  40           HZ1      LYS  40 -13.298  11.563  -6.536
  326    HZ2  LYS  40           HZ2      LYS  40 -12.371  12.657  -7.329
  327    HZ3  LYS  40           HZ3      LYS  40 -13.426  11.708  -8.154
  328    H    ASN  41           H        ASN  41  -8.265   6.703  -2.997
  329    HA   ASN  41           HA       ASN  41  -6.152   8.145  -1.541
  330    HB2  ASN  41           HB2      ASN  41  -8.358   7.483  -0.473
  331    HB3  ASN  41           HB3      ASN  41  -7.854   5.800  -0.630
  332   HD21  ASN  41          HD22      ASN  41  -7.219   5.082   1.403
  333   HD22  ASN  41          HD21      ASN  41  -6.226   5.994   2.507
  334    H    ASP  42           H        ASP  42  -6.185   5.625  -3.788
  335    HA   ASP  42           HA       ASP  42  -4.124   3.932  -2.620
  336    HB2  ASP  42           HB2      ASP  42  -5.668   3.271  -4.516
  337    HB3  ASP  42           HB3      ASP  42  -4.799   4.425  -5.543
  338    H    THR  43           H        THR  43  -1.819   4.050  -3.239
  339    HA   THR  43           HA       THR  43  -0.917   6.811  -3.374
  340    HB   THR  43           HB       THR  43   0.784   4.322  -3.241
  341    HG1  THR  43           HG1      THR  43  -0.426   4.047  -1.528
  342   HG21  THR  43          HG21      THR  43   2.310   5.831  -1.977
  343   HG22  THR  43          HG22      THR  43   2.035   6.398  -3.632
  344   HG23  THR  43          HG23      THR  43   1.202   7.191  -2.282
  345    H    VAL  44           H        VAL  44  -1.955   7.028  -5.535
  346    HA   VAL  44           HA       VAL  44  -0.653   5.847  -7.846
  347    HB   VAL  44           HB       VAL  44  -2.492   8.278  -7.665
  348   HG11  VAL  44          HG11      VAL  44  -3.010   7.767 -10.014
  349   HG12  VAL  44          HG12      VAL  44  -1.276   8.041  -9.829
  350   HG13  VAL  44          HG13      VAL  44  -1.900   6.380  -9.977
  351   HG21  VAL  44          HG21      VAL  44  -3.711   6.433  -6.693
  352   HG22  VAL  44          HG22      VAL  44  -4.299   6.644  -8.336
  353   HG23  VAL  44          HG23      VAL  44  -3.157   5.327  -7.963
  354    H    LYS  45           H        LYS  45   1.515   6.240  -7.885
  355    HA   LYS  45           HA       LYS  45   2.583   8.945  -7.483
  356    HB2  LYS  45           HB2      LYS  45   3.834   6.285  -8.297
  357    HB3  LYS  45           HB3      LYS  45   4.734   7.796  -8.165
  358    HG2  LYS  45           HG2      LYS  45   4.134   8.014  -5.791
  359    HG3  LYS  45           HG3      LYS  45   3.142   6.546  -5.876
  360    HD2  LYS  45           HD2      LYS  45   5.122   5.215  -6.464
  361    HD3  LYS  45           HD3      LYS  45   6.150   6.652  -6.348
  362    HE2  LYS  45           HE2      LYS  45   4.435   5.631  -4.042
  363    HE3  LYS  45           HE3      LYS  45   6.072   5.046  -4.335
  364    HZ1  LYS  45           HZ1      LYS  45   6.066   6.830  -2.732
  365    HZ2  LYS  45           HZ2      LYS  45   6.890   7.298  -4.054
  366    HZ3  LYS  45           HZ3      LYS  45   5.386   7.889  -3.772
  367    H    VAL  46           H        VAL  46   3.120  10.306  -9.111
  368    HA   VAL  46           HA       VAL  46   2.456   9.536 -11.915
  369    HB   VAL  46           HB       VAL  46   1.981  12.150 -10.533
  370   HG11  VAL  46          HG11      VAL  46   0.925  11.052 -13.152
  371   HG12  VAL  46          HG12      VAL  46   0.534  12.641 -12.458
  372   HG13  VAL  46          HG13      VAL  46   2.181  12.304 -13.003
  373   HG21  VAL  46          HG21      VAL  46   0.475  10.568  -9.469
  374   HG22  VAL  46          HG22      VAL  46  -0.459  11.544 -10.594
  375   HG23  VAL  46          HG23      VAL  46   0.006   9.888 -11.046
  376    H    TYR  47           H        TYR  47   4.046   9.898 -13.406
  377    HA   TYR  47           HA       TYR  47   6.020  11.988 -12.933
  378    HB2  TYR  47           HB2      TYR  47   7.913  10.710 -13.232
  379    HB3  TYR  47           HB3      TYR  47   6.947   9.626 -12.255
  380    HD1  TYR  47           HD2      TYR  47   5.584   7.775 -13.518
  381    HD2  TYR  47           HD1      TYR  47   8.671  10.123 -15.396
  382    HE1  TYR  47           HE2      TYR  47   5.674   6.175 -15.387
  383    HE2  TYR  47           HE1      TYR  47   8.704   8.557 -17.314
  384    HH   TYR  47           HH       TYR  47   6.618   5.664 -17.471
  385    H    CYS  48           H        CYS  48   7.291  12.316 -15.085
  386    HA   CYS  48           HA       CYS  48   6.079  11.301 -17.495
  387    HB2  CYS  48           HB2      CYS  48   5.563  13.442 -18.518
  388    HB3  CYS  48           HB3      CYS  48   4.655  13.342 -17.014
  389    HG   CYS  48           HG       CYS  48   5.725  15.765 -17.692
  390    H    ASN  49           H        ASN  49   7.496  12.400 -19.392
  391    HA   ASN  49           HA       ASN  49  10.171  11.731 -18.832
  392    HB2  ASN  49           HB2      ASN  49   8.893  11.898 -21.113
  393    HB3  ASN  49           HB3      ASN  49   9.421  13.578 -21.116
  394   HD21  ASN  49          HD22      ASN  49  10.614  10.190 -20.830
  395   HD22  ASN  49          HD21      ASN  49  12.201  10.519 -21.504
  396    H    ALA  50           H        ALA  50   8.591  14.834 -18.351
  397    HA   ALA  50           HA       ALA  50  11.216  16.240 -18.300
  398    HB1  ALA  50           HB1      ALA  50   9.642  16.900 -20.072
  399    HB2  ALA  50           HB2      ALA  50   8.420  17.312 -18.844
  400    HB3  ALA  50           HB3      ALA  50   9.940  18.225 -18.936
  401    H    GLY  51           H        GLY  51   8.870  15.174 -16.027
  402    HA2  GLY  51           HA2      GLY  51   8.667  15.594 -13.809
  403    HA3  GLY  51           HA3      GLY  51  10.240  16.397 -13.892
  404    H    ARG  52           H        ARG  52   7.369  17.524 -15.638
  405    HA   ARG  52           HA       ARG  52   6.723  19.473 -13.515
  406    HB2  ARG  52           HB2      ARG  52   8.141  20.864 -14.907
  407    HB3  ARG  52           HB3      ARG  52   7.383  20.276 -16.386
  408    HG2  ARG  52           HG2      ARG  52   6.578  22.518 -15.917
  409    HG3  ARG  52           HG3      ARG  52   5.247  21.378 -15.775
  410    HD2  ARG  52           HD2      ARG  52   5.786  21.385 -13.202
  411    HD3  ARG  52           HD3      ARG  52   6.808  22.766 -13.551
  412    HE   ARG  52           HE       ARG  52   4.907  24.057 -14.150
  413   HH11  ARG  52          HH11      ARG  52   3.874  20.817 -13.016
  414   HH12  ARG  52          HH12      ARG  52   2.380  21.473 -12.326
  415   HH21  ARG  52          HH21      ARG  52   2.804  24.732 -13.304
  416   HH22  ARG  52          HH22      ARG  52   1.793  23.510 -12.552
  417    H    GLN  53           H        GLN  53   5.849  18.204 -16.771
  418    HA   GLN  53           HA       GLN  53   3.101  18.866 -16.498
  419    HB2  GLN  53           HB2      GLN  53   4.334  16.711 -18.247
  420    HB3  GLN  53           HB3      GLN  53   2.738  17.457 -18.422
  421    HG2  GLN  53           HG2      GLN  53   3.885  19.689 -18.737
  422    HG3  GLN  53           HG3      GLN  53   5.437  18.850 -18.724
  423   HE21  GLN  53          HE22      GLN  53   2.360  19.190 -20.524
  424   HE22  GLN  53          HE21      GLN  53   2.989  18.579 -22.036
  425    H    SER  54           H        SER  54   4.963  16.182 -15.143
  426    HA   SER  54           HA       SER  54   2.769  14.528 -14.362
  427    HB2  SER  54           HB2      SER  54   4.522  13.780 -12.700
  428    HB3  SER  54           HB3      SER  54   4.945  13.709 -14.414
  429    HG   SER  54           HG       SER  54   6.654  14.604 -13.185
  430    H    GLY  55           H        GLY  55   4.440  17.302 -12.841
  431    HA2  GLY  55           HA2      GLY  55   2.831  17.557 -10.515
  432    HA3  GLY  55           HA3      GLY  55   3.691  18.863 -11.357
  433    H    GLN  56           H        GLN  56   2.375  18.855 -13.884
  434    HA   GLN  56           HA       GLN  56  -0.027  20.284 -13.283
  435    HB2  GLN  56           HB2      GLN  56   0.828  19.001 -15.887
  436    HB3  GLN  56           HB3      GLN  56  -0.508  20.141 -15.697
  437    HG2  GLN  56           HG2      GLN  56   1.100  21.856 -14.906
  438    HG3  GLN  56           HG3      GLN  56   2.431  20.739 -15.250
  439   HE21  GLN  56          HE22      GLN  56   1.362  23.454 -16.498
  440   HE22  GLN  56          HE21      GLN  56   1.442  23.116 -18.208
  441    H    ALA  57           H        ALA  57   0.449  16.855 -14.373
  442    HA   ALA  57           HA       ALA  57  -2.352  16.269 -14.447
  443    HB1  ALA  57           HB1      ALA  57  -1.635  13.902 -14.206
  444    HB2  ALA  57           HB2      ALA  57  -0.757  14.767 -15.482
  445    HB3  ALA  57           HB3      ALA  57   0.023  14.455 -13.904
  446    H    LYS  58           H        LYS  58  -0.023  16.439 -11.794
  447    HA   LYS  58           HA       LYS  58  -1.865  15.232  -9.865
  448    HB2  LYS  58           HB2      LYS  58   0.567  15.229  -9.512
  449    HB3  LYS  58           HB3      LYS  58   0.578  16.980  -9.307
  450    HG2  LYS  58           HG2      LYS  58  -1.225  15.250  -7.583
  451    HG3  LYS  58           HG3      LYS  58   0.497  15.343  -7.224
  452    HD2  LYS  58           HD2      LYS  58   0.431  17.695  -6.800
  453    HD3  LYS  58           HD3      LYS  58  -1.190  17.862  -7.470
  454    HE2  LYS  58           HE2      LYS  58  -1.985  16.233  -5.659
  455    HE3  LYS  58           HE3      LYS  58  -0.401  16.465  -4.894
  456    HZ1  LYS  58           HZ1      LYS  58  -2.459  18.520  -5.445
  457    HZ2  LYS  58           HZ2      LYS  58  -1.980  17.998  -3.970
  458    HZ3  LYS  58           HZ3      LYS  58  -0.952  18.893  -4.877
  459    H    GLU  59           H        GLU  59  -1.139  18.603 -10.905
  460    HA   GLU  59           HA       GLU  59  -2.957  19.881  -9.138
  461    HB2  GLU  59           HB2      GLU  59  -2.015  20.646 -11.933
  462    HB3  GLU  59           HB3      GLU  59  -3.000  21.685 -10.912
  463    HG2  GLU  59           HG2      GLU  59  -1.276  21.866  -9.248
  464    HG3  GLU  59           HG3      GLU  59  -0.306  20.608  -9.991
  465    H    ILE  60           H        ILE  60  -3.505  18.496 -12.435
  466    HA   ILE  60           HA       ILE  60  -6.282  19.013 -12.627
  467    HB   ILE  60           HB       ILE  60  -4.475  16.829 -13.714
  468   HG12  ILE  60          HG12      ILE  60  -5.979  19.055 -15.144
  469   HG13  ILE  60          HG13      ILE  60  -4.325  19.221 -14.553
  470   HG21  ILE  60          HG21      ILE  60  -7.427  17.144 -14.318
  471   HG22  ILE  60          HG22      ILE  60  -6.302  16.096 -15.215
  472   HG23  ILE  60          HG23      ILE  60  -6.659  15.741 -13.542
  473   HD11  ILE  60          HD11      ILE  60  -3.687  17.219 -15.978
  474   HD12  ILE  60          HD12      ILE  60  -5.286  17.327 -16.737
  475   HD13  ILE  60          HD13      ILE  60  -4.158  18.683 -16.867
  476    H    LEU  61           H        LEU  61  -4.603  16.134 -11.195
  477    HA   LEU  61           HA       LEU  61  -7.113  14.985 -10.396
  478    HB2  LEU  61           HB2      LEU  61  -4.258  14.337  -9.584
  479    HB3  LEU  61           HB3      LEU  61  -5.665  13.385  -9.108
  480    HG   LEU  61           HG       LEU  61  -4.790  13.870 -12.001
  481   HD11  LEU  61          HD11      LEU  61  -4.603  11.370 -10.282
  482   HD12  LEU  61          HD12      LEU  61  -4.241  11.468 -12.019
  483   HD13  LEU  61          HD13      LEU  61  -3.250  12.371 -10.876
  484   HD21  LEU  61          HD21      LEU  61  -6.447  12.107 -12.565
  485   HD22  LEU  61          HD22      LEU  61  -7.078  12.224 -10.899
  486   HD23  LEU  61          HD23      LEU  61  -7.172  13.604 -12.021
  487    H    SER  62           H        SER  62  -5.177  17.459  -8.932
  488    HA   SER  62           HA       SER  62  -6.331  17.206  -6.301
  489    HB2  SER  62           HB2      SER  62  -5.204  19.694  -7.624
  490    HB3  SER  62           HB3      SER  62  -5.496  19.435  -5.904
  491    HG   SER  62           HG       SER  62  -3.733  17.867  -7.517
  492    H    GLU  63           H        GLU  63  -7.344  18.839  -9.365
  493    HA   GLU  63           HA       GLU  63  -9.689  20.077  -8.252
  494    HB2  GLU  63           HB2      GLU  63  -9.442  18.987 -11.083
  495    HB3  GLU  63           HB3      GLU  63 -10.537  20.223 -10.488
  496    HG2  GLU  63           HG2      GLU  63  -8.549  21.691 -10.011
  497    HG3  GLU  63           HG3      GLU  63  -7.527  20.484 -10.802
  498    H    MET  64           H        MET  64  -8.963  16.824  -9.498
  499    HA   MET  64           HA       MET  64 -11.674  15.839  -9.319
  500    HB2  MET  64           HB2      MET  64  -9.028  14.338  -9.506
  501    HB3  MET  64           HB3      MET  64 -10.609  13.603  -9.652
  502    HG2  MET  64           HG2      MET  64  -9.490  15.733 -11.506
  503    HG3  MET  64           HG3      MET  64  -9.597  14.013 -11.851
  504    HE1  MET  64           HE1      MET  64 -13.356  13.341 -12.411
  505    HE2  MET  64           HE2      MET  64 -11.711  12.677 -12.291
  506    HE3  MET  64           HE3      MET  64 -12.581  13.176 -10.823
  507    H    GLY  65           H        GLY  65  -9.655  16.724  -6.767
  508    HA2  GLY  65           HA2      GLY  65 -10.005  16.418  -4.523
  509    HA3  GLY  65           HA3      GLY  65 -11.399  15.389  -4.894
  510    H    TYR  66           H        TYR  66  -7.949  15.008  -5.828
  511    HA   TYR  66           HA       TYR  66  -7.522  12.370  -5.218
  512    HB2  TYR  66           HB2      TYR  66  -5.259  12.823  -5.207
  513    HB3  TYR  66           HB3      TYR  66  -5.904  14.043  -6.273
  514    HD1  TYR  66           HD2      TYR  66  -6.750  16.226  -4.375
  515    HD2  TYR  66           HD1      TYR  66  -3.320  13.605  -4.203
  516    HE1  TYR  66           HE2      TYR  66  -5.527  17.921  -3.091
  517    HE2  TYR  66           HE1      TYR  66  -2.103  15.286  -2.887
  518    HH   TYR  66           HH       TYR  66  -3.531  18.463  -1.999
  519    H    THR  67           H        THR  67  -6.568  11.202  -3.423
  520    HA   THR  67           HA       THR  67  -6.444  12.640  -0.832
  521    HB   THR  67           HB       THR  67  -7.258  10.257   0.046
  522    HG1  THR  67           HG1      THR  67  -8.921   9.515  -1.350
  523   HG21  THR  67          HG21      THR  67  -8.355  12.449   0.490
  524   HG22  THR  67          HG22      THR  67  -9.195  12.330  -1.074
  525   HG23  THR  67          HG23      THR  67  -9.523  11.150   0.213
  526    H    HIS  68           H        HIS  68  -4.986  10.047  -2.901
  527    HA   HIS  68           HA       HIS  68  -2.559  10.753  -1.439
  528    HB2  HIS  68           HB2      HIS  68  -3.785   8.581  -0.459
  529    HB3  HIS  68           HB3      HIS  68  -3.005   7.794  -1.824
  530    HD1  HIS  68           HD1      HIS  68  -0.822   6.635  -0.847
  531    HD2  HIS  68           HD2      HIS  68  -1.752  10.388   0.851
  532    HE1  HIS  68           HE1      HIS  68   0.999   7.131   0.833
  533    H    VAL  69           H        VAL  69  -3.554  11.250  -4.084
  534    HA   VAL  69           HA       VAL  69  -1.760   9.871  -5.951
  535    HB   VAL  69           HB       VAL  69  -3.201  12.543  -6.231
  536   HG11  VAL  69          HG11      VAL  69  -1.334  12.330  -7.826
  537   HG12  VAL  69          HG12      VAL  69  -1.982  10.769  -8.381
  538   HG13  VAL  69          HG13      VAL  69  -2.894  12.277  -8.628
  539   HG21  VAL  69          HG21      VAL  69  -4.063   9.814  -7.304
  540   HG22  VAL  69          HG22      VAL  69  -4.834  10.644  -5.950
  541   HG23  VAL  69          HG23      VAL  69  -4.889  11.358  -7.562
  542    H    GLU  70           H        GLU  70   0.330  10.686  -6.584
  543    HA   GLU  70           HA       GLU  70   1.448  12.972  -5.039
  544    HB2  GLU  70           HB2      GLU  70   1.768  10.945  -3.688
  545    HB3  GLU  70           HB3      GLU  70   2.453  10.087  -5.073
  546    HG2  GLU  70           HG2      GLU  70   4.384  11.609  -5.106
  547    HG3  GLU  70           HG3      GLU  70   3.663  12.591  -3.826
  548    H    ASN  71           H        ASN  71   2.748  14.198  -6.369
  549    HA   ASN  71           HA       ASN  71   3.522  13.161  -9.022
  550    HB2  ASN  71           HB2      ASN  71   2.963  15.487  -9.020
  551    HB3  ASN  71           HB3      ASN  71   3.988  15.811  -7.611
  552   HD21  ASN  71          HD22      ASN  71   4.799  13.850 -10.605
  553   HD22  ASN  71          HD21      ASN  71   6.052  14.953 -11.108
  554    H    ALA  72           H        ALA  72   5.129  11.682  -8.992
  555    HA   ALA  72           HA       ALA  72   7.023  11.451  -6.815
  556    HB1  ALA  72           HB1      ALA  72   7.998   9.672  -8.239
  557    HB2  ALA  72           HB2      ALA  72   6.250   9.488  -8.042
  558    HB3  ALA  72           HB3      ALA  72   6.906  10.129  -9.567
  559    H    GLY  73           H        GLY  73   7.157  12.750 -10.188
  560    HA2  GLY  73           HA2      GLY  73   8.896  14.788 -10.007
  561    HA3  GLY  73           HA3      GLY  73  10.004  13.405  -9.929
  562    H    GLY  74           H        GLY  74  10.950  13.463 -11.890
  563    HA2  GLY  74           HA2      GLY  74   9.245  12.974 -14.263
  564    HA3  GLY  74           HA3      GLY  74  10.692  13.997 -14.370
  565    H    LEU  75           H        LEU  75  10.532  11.729 -15.911
  566    HA   LEU  75           HA       LEU  75  11.077   9.284 -14.880
  567    HB2  LEU  75           HB2      LEU  75  10.603   9.767 -17.269
  568    HB3  LEU  75           HB3      LEU  75  12.198  10.482 -17.457
  569    HG   LEU  75           HG       LEU  75  13.264   8.277 -17.046
  570   HD11  LEU  75          HD11      LEU  75  11.903   6.216 -17.055
  571   HD12  LEU  75          HD12      LEU  75  11.514   7.207 -15.637
  572   HD13  LEU  75          HD13      LEU  75  10.424   7.164 -17.041
  573   HD21  LEU  75          HD21      LEU  75  12.637   7.258 -19.174
  574   HD22  LEU  75          HD22      LEU  75  11.150   8.219 -19.229
  575   HD23  LEU  75          HD23      LEU  75  12.738   9.016 -19.332
  576    H    LYS  76           H        LYS  76  13.606  11.737 -15.514
  577    HA   LYS  76           HA       LYS  76  15.820   9.962 -15.016
  578    HB2  LYS  76           HB2      LYS  76  15.624  13.006 -14.858
  579    HB3  LYS  76           HB3      LYS  76  17.128  12.078 -14.792
  580    HG2  LYS  76           HG2      LYS  76  16.674  11.152 -17.054
  581    HG3  LYS  76           HG3      LYS  76  15.189  12.117 -17.151
  582    HD2  LYS  76           HD2      LYS  76  16.522  14.198 -16.921
  583    HD3  LYS  76           HD3      LYS  76  18.012  13.231 -16.840
  584    HE2  LYS  76           HE2      LYS  76  17.524  12.303 -19.096
  585    HE3  LYS  76           HE3      LYS  76  16.043  13.266 -19.176
  586    HZ1  LYS  76           HZ1      LYS  76  17.417  15.265 -19.083
  587    HZ2  LYS  76           HZ2      LYS  76  18.787  14.373 -19.008
  588    HZ3  LYS  76           HZ3      LYS  76  17.859  14.336 -20.345
  589    H    ASP  77           H        ASP  77  13.643  11.705 -12.870
  590    HA   ASP  77           HA       ASP  77  15.508  11.615 -10.597
  591    HB2  ASP  77           HB2      ASP  77  14.077  13.595 -10.944
  592    HB3  ASP  77           HB3      ASP  77  12.634  12.588 -10.784
  593    H    ILE  78           H        ILE  78  12.460   9.945 -11.715
  594    HA   ILE  78           HA       ILE  78  12.158   8.436  -9.300
  595    HB   ILE  78           HB       ILE  78  11.233   7.927 -12.160
  596   HG12  ILE  78          HG12      ILE  78   8.959   8.169 -11.026
  597   HG13  ILE  78          HG13      ILE  78   9.798   8.712  -9.570
  598   HG21  ILE  78          HG21      ILE  78   9.793   6.102 -11.151
  599   HG22  ILE  78          HG22      ILE  78  11.505   5.730 -11.225
  600   HG23  ILE  78          HG23      ILE  78  10.758   6.222  -9.674
  601   HD11  ILE  78          HD11      ILE  78  10.588  10.706 -10.780
  602   HD12  ILE  78          HD12      ILE  78   9.925  10.030 -12.304
  603   HD13  ILE  78          HD13      ILE  78   8.848  10.535 -10.983
  604    H    ALA  79           H        ALA  79  13.544   6.996  -8.447
  605    HA   ALA  79           HA       ALA  79  15.696   5.913 -10.128
  606    HB1  ALA  79           HB1      ALA  79  16.831   5.484  -7.985
  607    HB2  ALA  79           HB2      ALA  79  16.238   7.152  -8.027
  608    HB3  ALA  79           HB3      ALA  79  15.358   5.919  -7.092
  609    H    MET  80           H        MET  80  13.019   4.857 -10.280
  610    HA   MET  80           HA       MET  80  13.172   2.087  -9.239
  611    HB2  MET  80           HB2      MET  80  11.126   3.524 -10.979
  612    HB3  MET  80           HB3      MET  80  11.005   1.831 -10.548
  613    HG2  MET  80           HG2      MET  80  11.074   4.117  -8.546
  614    HG3  MET  80           HG3      MET  80   9.618   3.327  -9.136
  615    HE1  MET  80           HE1      MET  80   8.702   1.081  -8.403
  616    HE2  MET  80           HE2      MET  80  10.092   0.243  -9.129
  617    HE3  MET  80           HE3      MET  80   9.595  -0.138  -7.468
  618    HA   PRO  81           HA       PRO  81  14.864   0.363 -13.063
  619    HB2  PRO  81           HB2      PRO  81  12.494  -1.512 -12.914
  620    HB3  PRO  81           HB3      PRO  81  14.215  -1.900 -13.224
  621    HG2  PRO  81           HG2      PRO  81  13.135  -2.339 -10.779
  622    HG3  PRO  81           HG3      PRO  81  14.767  -1.603 -10.916
  623    HD2  PRO  81           HD2      PRO  81  12.121  -0.226 -10.418
  624    HD3  PRO  81           HD3      PRO  81  13.701   0.032  -9.617
  625    H    LYS  82           H        LYS  82  14.327   0.225 -15.372
  626    HA   LYS  82           HA       LYS  82  11.740   1.395 -16.179
  627    HB2  LYS  82           HB2      LYS  82  14.527   2.297 -17.047
  628    HB3  LYS  82           HB3      LYS  82  13.021   2.836 -17.801
  629    HG2  LYS  82           HG2      LYS  82  12.316   3.999 -15.816
  630    HG3  LYS  82           HG3      LYS  82  13.579   3.249 -14.839
  631    HD2  LYS  82           HD2      LYS  82  15.324   4.422 -16.207
  632    HD3  LYS  82           HD3      LYS  82  14.025   5.266 -17.057
  633    HE2  LYS  82           HE2      LYS  82  14.796   6.731 -15.302
  634    HE3  LYS  82           HE3      LYS  82  13.208   6.138 -14.826
  635    HZ1  LYS  82           HZ1      LYS  82  14.675   6.055 -12.979
  636    HZ2  LYS  82           HZ2      LYS  82  14.373   4.497 -13.380
  637    HZ3  LYS  82           HZ3      LYS  82  15.810   5.186 -13.783
  638    H    VAL  83           H        VAL  83  11.234   0.840 -18.397
  639    HA   VAL  83           HA       VAL  83  12.760  -1.487 -19.479
  640    HB   VAL  83           HB       VAL  83   9.727  -1.259 -19.240
  641   HG11  VAL  83          HG11      VAL  83   9.742  -3.643 -19.923
  642   HG12  VAL  83          HG12      VAL  83  10.444  -2.621 -21.173
  643   HG13  VAL  83          HG13      VAL  83  11.506  -3.583 -20.119
  644   HG21  VAL  83          HG21      VAL  83   9.892  -3.135 -17.605
  645   HG22  VAL  83          HG22      VAL  83  11.660  -2.960 -17.605
  646   HG23  VAL  83          HG23      VAL  83  10.621  -1.652 -16.996
  647    H    LYS  84           H        LYS  84  12.848  -1.513 -21.737
  648    HA   LYS  84           HA       LYS  84  12.552   1.032 -23.071
  649    HB2  LYS  84           HB2      LYS  84  13.047  -1.754 -24.218
  650    HB3  LYS  84           HB3      LYS  84  13.241  -0.240 -25.090
  651    HG2  LYS  84           HG2      LYS  84  14.922  -1.160 -22.719
  652    HG3  LYS  84           HG3      LYS  84  15.398  -1.144 -24.418
  653    HD2  LYS  84           HD2      LYS  84  15.116   1.356 -24.439
  654    HD3  LYS  84           HD3      LYS  84  14.785   1.282 -22.693
  655    HE2  LYS  84           HE2      LYS  84  16.984   0.304 -22.264
  656    HE3  LYS  84           HE3      LYS  84  17.344   0.287 -23.997
  657    HZ1  LYS  84           HZ1      LYS  84  18.318   2.199 -22.856
  658    HZ2  LYS  84           HZ2      LYS  84  17.259   2.695 -23.990
  659    HZ3  LYS  84           HZ3      LYS  84  16.843   2.752 -22.403
  660    H    GLY  85           H        GLY  85  11.290   1.366 -25.036
  661    HA2  GLY  85           HA2      GLY  85   8.523   0.839 -24.934
  662    HA3  GLY  85           HA3      GLY  85   9.454   1.252 -26.390
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1   3.825  -0.151  -1.420
    2    H2   ALA   1           H2       ALA   1   3.655   1.297  -2.195
    3    H3   ALA   1           H3       ALA   1   2.800   0.995  -0.832
    4    HA   ALA   1           HA       ALA   1   2.511  -0.452  -3.365
    5    HB1  ALA   1           HB1      ALA   1   0.801  -0.593  -0.839
    6    HB2  ALA   1           HB2      ALA   1   0.455  -1.399  -2.383
    7    HB3  ALA   1           HB3      ALA   1   1.889  -1.861  -1.449
    8    H    GLU   2           H        GLU   2   1.795   0.917  -4.916
    9    HA   GLU   2           HA       GLU   2  -0.350   2.807  -4.490
   10    HB2  GLU   2           HB2      GLU   2   0.973   4.782  -4.998
   11    HB3  GLU   2           HB3      GLU   2   1.553   4.053  -3.513
   12    HG2  GLU   2           HG2      GLU   2   2.893   3.937  -6.230
   13    HG3  GLU   2           HG3      GLU   2   3.337   4.943  -4.859
   14    H    HIS   3           H        HIS   3  -0.930   3.769  -6.597
   15    HA   HIS   3           HA       HIS   3  -0.153   2.059  -8.894
   16    HB2  HIS   3           HB2      HIS   3  -2.259   4.197  -8.444
   17    HB3  HIS   3           HB3      HIS   3  -1.835   3.638 -10.061
   18    HD1  HIS   3           HD1      HIS   3  -3.461   2.223  -6.823
   19    HD2  HIS   3           HD2      HIS   3  -2.614   1.224 -10.840
   20    HE1  HIS   3           HE1      HIS   3  -4.715   0.078  -7.313
   21    H    TRP   4           H        TRP   4   0.572   3.087 -10.914
   22    HA   TRP   4           HA       TRP   4   2.137   5.584 -10.539
   23    HB2  TRP   4           HB2      TRP   4   3.065   2.918 -11.653
   24    HB3  TRP   4           HB3      TRP   4   3.872   4.434 -12.001
   25    HD1  TRP   4           HD1      TRP   4   3.059   2.226  -8.928
   26    HE1  TRP   4           HE1      TRP   4   4.865   2.548  -7.161
   27    HE3  TRP   4           HE3      TRP   4   5.749   5.929 -11.218
   28    HZ2  TRP   4           HZ2      TRP   4   7.389   3.994  -6.934
   29    HZ3  TRP   4           HZ3      TRP   4   7.841   6.776 -10.190
   30    HH2  TRP   4           HH2      TRP   4   8.682   5.801  -8.066
   31    H    ILE   5           H        ILE   5   2.069   6.908 -12.376
   32    HA   ILE   5           HA       ILE   5   0.957   5.796 -14.888
   33    HB   ILE   5           HB       ILE   5  -0.067   8.313 -13.511
   34   HG12  ILE   5          HG12      ILE   5  -2.337   6.941 -14.014
   35   HG13  ILE   5          HG13      ILE   5  -1.279   5.555 -13.850
   36   HG21  ILE   5          HG21      ILE   5   0.090   8.585 -15.963
   37   HG22  ILE   5          HG22      ILE   5  -0.849   7.099 -16.177
   38   HG23  ILE   5          HG23      ILE   5  -1.574   8.539 -15.412
   39   HD11  ILE   5          HD11      ILE   5  -0.685   6.416 -11.528
   40   HD12  ILE   5          HD12      ILE   5  -1.788   7.774 -11.818
   41   HD13  ILE   5          HD13      ILE   5  -2.418   6.117 -11.745
   42    H    ASP   6           H        ASP   6   1.865   6.640 -16.659
   43    HA   ASP   6           HA       ASP   6   4.058   8.659 -16.473
   44    HB2  ASP   6           HB2      ASP   6   4.726   6.584 -17.571
   45    HB3  ASP   6           HB3      ASP   6   3.261   6.563 -18.540
   46    H    VAL   7           H        VAL   7   3.293  10.687 -17.012
   47    HA   VAL   7           HA       VAL   7   0.662  10.814 -18.392
   48    HB   VAL   7           HB       VAL   7   0.193  12.858 -17.296
   49   HG11  VAL   7          HG11      VAL   7   1.270  10.837 -15.288
   50   HG12  VAL   7          HG12      VAL   7   0.099  12.128 -14.966
   51   HG13  VAL   7          HG13      VAL   7  -0.326  10.827 -16.082
   52   HG21  VAL   7          HG21      VAL   7   2.507  13.837 -17.220
   53   HG22  VAL   7          HG22      VAL   7   1.635  13.945 -15.698
   54   HG23  VAL   7          HG23      VAL   7   2.900  12.720 -15.892
   55    H    ARG   8           H        ARG   8   3.249  10.622 -19.900
   56    HA   ARG   8           HA       ARG   8   3.055  13.237 -21.363
   57    HB2  ARG   8           HB2      ARG   8   5.274  12.596 -20.110
   58    HB3  ARG   8           HB3      ARG   8   5.505  11.485 -21.463
   59    HG2  ARG   8           HG2      ARG   8   5.209  13.539 -23.016
   60    HG3  ARG   8           HG3      ARG   8   5.122  14.528 -21.581
   61    HD2  ARG   8           HD2      ARG   8   7.367  14.139 -21.038
   62    HD3  ARG   8           HD3      ARG   8   7.444  12.636 -21.981
   63    HE   ARG   8           HE       ARG   8   7.897  13.751 -23.894
   64   HH11  ARG   8          HH11      ARG   8   6.992  16.262 -21.499
   65   HH12  ARG   8          HH12      ARG   8   7.762  17.521 -22.390
   66   HH21  ARG   8          HH21      ARG   8   8.790  15.470 -25.082
   67   HH22  ARG   8          HH22      ARG   8   8.734  17.079 -24.480
   68    H    VAL   9           H        VAL   9   4.496  12.243 -23.628
   69    HA   VAL   9           HA       VAL   9   2.262  10.897 -24.954
   70    HB   VAL   9           HB       VAL   9   3.761  11.177 -26.984
   71   HG11  VAL   9          HG11      VAL   9   1.945  12.747 -26.448
   72   HG12  VAL   9          HG12      VAL   9   3.046  13.706 -25.435
   73   HG13  VAL   9          HG13      VAL   9   3.320  13.583 -27.186
   74   HG21  VAL   9          HG21      VAL   9   5.956  11.391 -25.673
   75   HG22  VAL   9          HG22      VAL   9   5.674  12.601 -26.937
   76   HG23  VAL   9          HG23      VAL   9   5.440  13.035 -25.245
   77    HA   PRO  10           HA       PRO  10   3.952   6.745 -24.908
   78    HB2  PRO  10           HB2      PRO  10   3.520   6.819 -27.896
   79    HB3  PRO  10           HB3      PRO  10   3.093   5.529 -26.729
   80    HG2  PRO  10           HG2      PRO  10   1.195   7.233 -27.650
   81    HG3  PRO  10           HG3      PRO  10   1.236   6.777 -25.916
   82    HD2  PRO  10           HD2      PRO  10   2.238   9.310 -27.220
   83    HD3  PRO  10           HD3      PRO  10   1.338   9.096 -25.687
   84    H    GLU  11           H        GLU  11   5.237   9.215 -27.108
   85    HA   GLU  11           HA       GLU  11   7.341   7.809 -28.248
   86    HB2  GLU  11           HB2      GLU  11   7.288  10.765 -27.520
   87    HB3  GLU  11           HB3      GLU  11   8.395   9.992 -28.655
   88    HG2  GLU  11           HG2      GLU  11   6.416   9.259 -30.028
   89    HG3  GLU  11           HG3      GLU  11   5.368  10.188 -28.953
   90    H    GLN  12           H        GLN  12   7.193   8.999 -24.884
   91    HA   GLN  12           HA       GLN  12  10.055   8.223 -24.604
   92    HB2  GLN  12           HB2      GLN  12  10.091   8.905 -22.422
   93    HB3  GLN  12           HB3      GLN  12   9.386  10.204 -23.363
   94    HG2  GLN  12           HG2      GLN  12   7.189   9.802 -22.372
   95    HG3  GLN  12           HG3      GLN  12   7.764   8.317 -21.594
   96   HE21  GLN  12          HE22      GLN  12   7.338   9.003 -19.411
   97   HE22  GLN  12          HE21      GLN  12   8.375  10.211 -18.660
   98    H    TYR  13           H        TYR  13   6.811   7.240 -23.414
   99    HA   TYR  13           HA       TYR  13   7.524   5.182 -21.815
  100    HB2  TYR  13           HB2      TYR  13   5.280   6.236 -22.137
  101    HB3  TYR  13           HB3      TYR  13   5.087   5.321 -23.622
  102    HD1  TYR  13           HD2      TYR  13   4.594   2.909 -23.582
  103    HD2  TYR  13           HD1      TYR  13   5.072   5.178 -19.941
  104    HE1  TYR  13           HE2      TYR  13   3.437   1.124 -22.327
  105    HE2  TYR  13           HE1      TYR  13   3.907   3.395 -18.674
  106    HH   TYR  13           HH       TYR  13   2.636   0.426 -20.257
  107    H    GLN  14           H        GLN  14   7.142   4.984 -25.353
  108    HA   GLN  14           HA       GLN  14   7.332   2.130 -25.554
  109    HB2  GLN  14           HB2      GLN  14   7.826   4.434 -27.490
  110    HB3  GLN  14           HB3      GLN  14   7.961   2.742 -27.978
  111    HG2  GLN  14           HG2      GLN  14   5.452   4.064 -26.856
  112    HG3  GLN  14           HG3      GLN  14   5.751   3.710 -28.550
  113   HE21  GLN  14          HE22      GLN  14   3.693   2.701 -26.427
  114   HE22  GLN  14          HE21      GLN  14   3.750   0.968 -26.613
  115    H    GLN  15           H        GLN  15   9.858   4.727 -25.684
  116    HA   GLN  15           HA       GLN  15  11.905   2.723 -26.295
  117    HB2  GLN  15           HB2      GLN  15  13.521   4.559 -26.139
  118    HB3  GLN  15           HB3      GLN  15  12.239   4.831 -27.315
  119    HG2  GLN  15           HG2      GLN  15  11.099   6.345 -25.762
  120    HG3  GLN  15           HG3      GLN  15  12.372   6.118 -24.554
  121   HE21  GLN  15          HE22      GLN  15  11.265   8.151 -26.970
  122   HE22  GLN  15          HE21      GLN  15  12.769   8.964 -27.375
  123    H    GLU  16           H        GLU  16  10.650   4.342 -23.371
  124    HA   GLU  16           HA       GLU  16  11.283   2.108 -21.857
  125    HB2  GLU  16           HB2      GLU  16  12.820   3.106 -20.131
  126    HB3  GLU  16           HB3      GLU  16  13.563   2.670 -21.634
  127    HG2  GLU  16           HG2      GLU  16  13.441   5.124 -22.342
  128    HG3  GLU  16           HG3      GLU  16  12.853   5.471 -20.710
  129    H    HIS  17           H        HIS  17  10.309   2.208 -19.773
  130    HA   HIS  17           HA       HIS  17   9.304   4.791 -18.796
  131    HB2  HIS  17           HB2      HIS  17   7.063   3.783 -18.337
  132    HB3  HIS  17           HB3      HIS  17   7.399   4.056 -20.033
  133    HD1  HIS  17           HD1      HIS  17   7.541   1.886 -21.602
  134    HD2  HIS  17           HD2      HIS  17   6.778   1.210 -17.518
  135    HE1  HIS  17           HE1      HIS  17   6.780  -0.545 -21.402
  136    H    VAL  18           H        VAL  18   9.035   4.729 -16.532
  137    HA   VAL  18           HA       VAL  18  10.615   2.794 -15.054
  138    HB   VAL  18           HB       VAL  18   9.118   5.330 -14.568
  139   HG11  VAL  18          HG11      VAL  18   9.450   3.276 -12.321
  140   HG12  VAL  18          HG12      VAL  18   9.079   4.995 -12.085
  141   HG13  VAL  18          HG13      VAL  18   7.914   3.950 -12.902
  142   HG21  VAL  18          HG21      VAL  18  11.626   4.116 -13.325
  143   HG22  VAL  18          HG22      VAL  18  11.589   5.106 -14.793
  144   HG23  VAL  18          HG23      VAL  18  11.089   5.810 -13.254
  145    H    GLN  19           H        GLN  19   9.954   0.977 -14.103
  146    HA   GLN  19           HA       GLN  19   7.843  -0.405 -15.282
  147    HB2  GLN  19           HB2      GLN  19   8.329  -2.190 -13.674
  148    HB3  GLN  19           HB3      GLN  19   9.777  -1.473 -14.354
  149    HG2  GLN  19           HG2      GLN  19  10.508  -1.616 -12.283
  150    HG3  GLN  19           HG3      GLN  19   9.781  -0.028 -12.118
  151   HE21  GLN  19          HE22      GLN  19   7.554   0.040 -11.038
  152   HE22  GLN  19          HE21      GLN  19   7.191  -1.206  -9.860
  153    H    GLY  20           H        GLY  20   5.829  -1.178 -14.559
  154    HA2  GLY  20           HA2      GLY  20   3.984  -1.390 -13.203
  155    HA3  GLY  20           HA3      GLY  20   4.722  -0.324 -12.002
  156    H    ALA  21           H        ALA  21   5.123   1.637 -14.524
  157    HA   ALA  21           HA       ALA  21   2.758   3.184 -14.020
  158    HB1  ALA  21           HB1      ALA  21   3.680   4.741 -15.674
  159    HB2  ALA  21           HB2      ALA  21   4.950   4.168 -14.588
  160    HB3  ALA  21           HB3      ALA  21   4.818   3.497 -16.234
  161    H    ILE  22           H        ILE  22   1.485   4.081 -15.882
  162    HA   ILE  22           HA       ILE  22   0.965   2.265 -18.145
  163    HB   ILE  22           HB       ILE  22  -1.221   3.653 -16.517
  164   HG12  ILE  22          HG12      ILE  22  -0.551   0.677 -16.511
  165   HG13  ILE  22          HG13      ILE  22  -0.325   1.793 -15.161
  166   HG21  ILE  22          HG21      ILE  22  -2.778   2.439 -17.973
  167   HG22  ILE  22          HG22      ILE  22  -1.656   3.344 -18.969
  168   HG23  ILE  22          HG23      ILE  22  -1.429   1.595 -18.765
  169   HD11  ILE  22          HD11      ILE  22  -2.305   0.558 -14.722
  170   HD12  ILE  22          HD12      ILE  22  -2.793   2.218 -15.119
  171   HD13  ILE  22          HD13      ILE  22  -2.986   0.909 -16.315
  172    H    ASN  23           H        ASN  23   0.911   3.612 -20.031
  173    HA   ASN  23           HA       ASN  23   1.468   6.466 -19.664
  174    HB2  ASN  23           HB2      ASN  23   2.519   5.369 -21.550
  175    HB3  ASN  23           HB3      ASN  23   0.948   4.846 -22.179
  176   HD21  ASN  23          HD22      ASN  23   2.685   7.949 -21.140
  177   HD22  ASN  23          HD21      ASN  23   1.868   8.914 -22.319
  178    H    ILE  24           H        ILE  24  -0.066   7.839 -19.138
  179    HA   ILE  24           HA       ILE  24  -2.709   7.749 -20.474
  180    HB   ILE  24           HB       ILE  24  -2.423   8.104 -17.477
  181   HG12  ILE  24          HG12      ILE  24  -3.480   5.690 -19.010
  182   HG13  ILE  24          HG13      ILE  24  -2.035   5.735 -17.997
  183   HG21  ILE  24          HG21      ILE  24  -4.259   9.367 -18.660
  184   HG22  ILE  24          HG22      ILE  24  -4.905   7.792 -19.168
  185   HG23  ILE  24          HG23      ILE  24  -4.807   8.224 -17.439
  186   HD11  ILE  24          HD11      ILE  24  -3.478   6.246 -16.014
  187   HD12  ILE  24          HD12      ILE  24  -4.902   5.951 -17.044
  188   HD13  ILE  24          HD13      ILE  24  -3.738   4.653 -16.749
  189    HA   PRO  25           HA       PRO  25  -0.207  11.556 -20.930
  190    HB2  PRO  25           HB2      PRO  25  -2.493  12.107 -22.836
  191    HB3  PRO  25           HB3      PRO  25  -0.744  12.458 -23.044
  192    HG2  PRO  25           HG2      PRO  25  -1.822  10.271 -24.215
  193    HG3  PRO  25           HG3      PRO  25  -0.248  10.132 -23.366
  194    HD2  PRO  25           HD2      PRO  25  -2.989   9.350 -22.370
  195    HD3  PRO  25           HD3      PRO  25  -1.435   8.477 -22.225
  196    H    LEU  26           H        LEU  26  -0.349  13.654 -20.198
  197    HA   LEU  26           HA       LEU  26  -1.947  14.414 -18.159
  198    HB2  LEU  26           HB2      LEU  26   0.147  15.516 -18.869
  199    HB3  LEU  26           HB3      LEU  26  -0.664  16.175 -20.289
  200    HG   LEU  26           HG       LEU  26  -2.158  17.527 -18.772
  201   HD11  LEU  26          HD11      LEU  26  -1.484  17.800 -16.410
  202   HD12  LEU  26          HD12      LEU  26  -1.987  16.136 -16.724
  203   HD13  LEU  26          HD13      LEU  26  -0.258  16.528 -16.605
  204   HD21  LEU  26          HD21      LEU  26  -0.466  19.182 -18.200
  205   HD22  LEU  26          HD22      LEU  26   0.824  17.973 -18.379
  206   HD23  LEU  26          HD23      LEU  26  -0.130  18.485 -19.790
  207    H    LYS  27           H        LYS  27  -2.756  14.927 -21.602
  208    HA   LYS  27           HA       LYS  27  -4.922  16.733 -21.190
  209    HB2  LYS  27           HB2      LYS  27  -4.390  14.757 -23.456
  210    HB3  LYS  27           HB3      LYS  27  -5.622  16.024 -23.487
  211    HG2  LYS  27           HG2      LYS  27  -3.857  17.754 -23.180
  212    HG3  LYS  27           HG3      LYS  27  -2.619  16.483 -23.238
  213    HD2  LYS  27           HD2      LYS  27  -3.335  15.876 -25.539
  214    HD3  LYS  27           HD3      LYS  27  -4.629  17.074 -25.456
  215    HE2  LYS  27           HE2      LYS  27  -2.868  18.037 -26.743
  216    HE3  LYS  27           HE3      LYS  27  -2.939  18.889 -25.200
  217    HZ1  LYS  27           HZ1      LYS  27  -0.979  16.771 -25.893
  218    HZ2  LYS  27           HZ2      LYS  27  -0.671  18.368 -25.864
  219    HZ3  LYS  27           HZ3      LYS  27  -1.015  17.594 -24.475
  220    H    GLU  28           H        GLU  28  -4.772  13.293 -20.604
  221    HA   GLU  28           HA       GLU  28  -7.760  13.140 -20.488
  222    HB2  GLU  28           HB2      GLU  28  -5.793  11.029 -21.460
  223    HB3  GLU  28           HB3      GLU  28  -7.553  10.872 -21.345
  224    HG2  GLU  28           HG2      GLU  28  -7.799  12.744 -22.995
  225    HG3  GLU  28           HG3      GLU  28  -6.039  12.802 -23.162
  226    H    VAL  29           H        VAL  29  -4.790  12.677 -18.767
  227    HA   VAL  29           HA       VAL  29  -5.365  10.709 -16.963
  228    HB   VAL  29           HB       VAL  29  -3.292  12.279 -17.206
  229   HG11  VAL  29          HG11      VAL  29  -4.449  14.411 -16.601
  230   HG12  VAL  29          HG12      VAL  29  -4.609  13.806 -14.937
  231   HG13  VAL  29          HG13      VAL  29  -3.005  14.052 -15.646
  232   HG21  VAL  29          HG21      VAL  29  -3.379  10.349 -15.705
  233   HG22  VAL  29          HG22      VAL  29  -2.516  11.698 -14.954
  234   HG23  VAL  29          HG23      VAL  29  -4.181  11.327 -14.456
  235    H    LYS  30           H        LYS  30  -6.837  13.917 -17.048
  236    HA   LYS  30           HA       LYS  30  -7.945  14.118 -14.510
  237    HB2  LYS  30           HB2      LYS  30  -7.904  15.862 -16.327
  238    HB3  LYS  30           HB3      LYS  30  -9.224  15.006 -17.134
  239    HG2  LYS  30           HG2      LYS  30 -10.724  15.431 -15.244
  240    HG3  LYS  30           HG3      LYS  30  -9.387  16.052 -14.270
  241    HD2  LYS  30           HD2      LYS  30 -10.713  17.898 -15.059
  242    HD3  LYS  30           HD3      LYS  30  -9.124  17.956 -15.837
  243    HE2  LYS  30           HE2      LYS  30 -10.092  16.934 -17.890
  244    HE3  LYS  30           HE3      LYS  30 -11.669  16.824 -17.098
  245    HZ1  LYS  30           HZ1      LYS  30 -11.528  18.763 -18.522
  246    HZ2  LYS  30           HZ2      LYS  30 -11.703  19.248 -16.978
  247    HZ3  LYS  30           HZ3      LYS  30 -10.244  19.350 -17.711
  248    H    GLU  31           H        GLU  31  -9.127  12.117 -17.215
  249    HA   GLU  31           HA       GLU  31 -11.430  11.309 -15.494
  250    HB2  GLU  31           HB2      GLU  31 -12.704  10.834 -17.433
  251    HB3  GLU  31           HB3      GLU  31 -12.136  12.508 -17.460
  252    HG2  GLU  31           HG2      GLU  31 -10.309  11.838 -19.003
  253    HG3  GLU  31           HG3      GLU  31 -10.944  10.189 -19.009
  254    H    ARG  32           H        ARG  32  -8.777  10.117 -17.571
  255    HA   ARG  32           HA       ARG  32  -9.548   7.353 -17.330
  256    HB2  ARG  32           HB2      ARG  32  -6.957   8.735 -18.077
  257    HB3  ARG  32           HB3      ARG  32  -7.177   6.973 -18.149
  258    HG2  ARG  32           HG2      ARG  32  -9.054   7.277 -19.750
  259    HG3  ARG  32           HG3      ARG  32  -8.812   9.034 -19.704
  260    HD2  ARG  32           HD2      ARG  32  -6.504   8.754 -20.535
  261    HD3  ARG  32           HD3      ARG  32  -6.729   6.999 -20.620
  262    HE   ARG  32           HE       ARG  32  -7.735   9.056 -22.454
  263   HH11  ARG  32          HH11      ARG  32  -8.200   5.650 -21.491
  264   HH12  ARG  32          HH12      ARG  32  -8.916   5.221 -23.000
  265   HH21  ARG  32          HH21      ARG  32  -8.573   8.535 -24.310
  266   HH22  ARG  32          HH22      ARG  32  -9.168   6.929 -24.699
  267    H    ILE  33           H        ILE  33  -7.984   9.475 -15.040
  268    HA   ILE  33           HA       ILE  33  -6.625   7.614 -13.451
  269    HB   ILE  33           HB       ILE  33  -6.623  10.022 -13.072
  270   HG12  ILE  33          HG12      ILE  33  -6.832  10.024 -10.586
  271   HG13  ILE  33          HG13      ILE  33  -7.573   8.434 -10.669
  272   HG21  ILE  33          HG21      ILE  33  -9.462   9.741 -11.975
  273   HG22  ILE  33          HG22      ILE  33  -8.490  11.207 -11.995
  274   HG23  ILE  33          HG23      ILE  33  -9.036  10.517 -13.513
  275   HD11  ILE  33          HD11      ILE  33  -4.777   9.074 -11.697
  276   HD12  ILE  33          HD12      ILE  33  -5.149   8.379 -10.105
  277   HD13  ILE  33          HD13      ILE  33  -5.519   7.466 -11.575
  278    H    ALA  34           H        ALA  34 -10.182   8.056 -13.865
  279    HA   ALA  34           HA       ALA  34 -10.941   6.668 -11.513
  280    HB1  ALA  34           HB1      ALA  34 -12.476   8.092 -12.831
  281    HB2  ALA  34           HB2      ALA  34 -12.422   6.924 -14.173
  282    HB3  ALA  34           HB3      ALA  34 -13.138   6.460 -12.616
  283    H    THR  35           H        THR  35 -10.292   5.452 -14.848
  284    HA   THR  35           HA       THR  35 -10.880   2.703 -14.131
  285    HB   THR  35           HB       THR  35  -9.581   2.476 -16.468
  286    HG1  THR  35           HG1      THR  35  -8.917   4.698 -16.533
  287   HG21  THR  35          HG21      THR  35 -11.712   2.953 -17.629
  288   HG22  THR  35          HG22      THR  35 -11.983   2.043 -16.135
  289   HG23  THR  35          HG23      THR  35 -12.324   3.788 -16.181
  290    H    ALA  36           H        ALA  36  -7.923   4.738 -14.280
  291    HA   ALA  36           HA       ALA  36  -6.100   2.544 -14.001
  292    HB1  ALA  36           HB1      ALA  36  -4.453   4.291 -13.512
  293    HB2  ALA  36           HB2      ALA  36  -5.488   4.784 -14.868
  294    HB3  ALA  36           HB3      ALA  36  -5.746   5.480 -13.254
  295    H    VAL  37           H        VAL  37  -7.806   4.593 -11.642
  296    HA   VAL  37           HA       VAL  37  -6.772   3.007  -9.361
  297    HB   VAL  37           HB       VAL  37  -6.868   6.002  -9.488
  298   HG11  VAL  37          HG11      VAL  37  -7.218   5.031  -7.219
  299   HG12  VAL  37          HG12      VAL  37  -5.708   4.112  -7.390
  300   HG13  VAL  37          HG13      VAL  37  -5.689   5.888  -7.329
  301   HG21  VAL  37          HG21      VAL  37  -4.477   4.143  -9.650
  302   HG22  VAL  37          HG22      VAL  37  -5.002   5.295 -10.887
  303   HG23  VAL  37          HG23      VAL  37  -4.370   5.893  -9.361
  304    HA   PRO  38           HA       PRO  38 -11.345   3.500  -9.552
  305    HB2  PRO  38           HB2      PRO  38 -12.122   0.971  -8.834
  306    HB3  PRO  38           HB3      PRO  38 -11.532   1.407 -10.466
  307    HG2  PRO  38           HG2      PRO  38  -9.951   0.187  -8.183
  308    HG3  PRO  38           HG3      PRO  38 -10.023  -0.346  -9.898
  309    HD2  PRO  38           HD2      PRO  38  -8.015   1.239  -8.952
  310    HD3  PRO  38           HD3      PRO  38  -8.665   1.436 -10.608
  311    H    ASP  39           H        ASP  39  -9.293   3.458  -6.944
  312    HA   ASP  39           HA       ASP  39 -11.513   4.135  -5.106
  313    HB2  ASP  39           HB2      ASP  39 -10.886   1.953  -4.316
  314    HB3  ASP  39           HB3      ASP  39  -9.164   2.339  -4.429
  315    H    LYS  40           H        LYS  40 -11.216   6.284  -5.139
  316    HA   LYS  40           HA       LYS  40  -8.777   7.520  -5.775
  317    HB2  LYS  40           HB2      LYS  40  -9.919   9.547  -5.656
  318    HB3  LYS  40           HB3      LYS  40 -11.115   8.370  -6.142
  319    HG2  LYS  40           HG2      LYS  40 -12.384   9.357  -4.535
  320    HG3  LYS  40           HG3      LYS  40 -11.501   8.301  -3.424
  321    HD2  LYS  40           HD2      LYS  40  -9.778  10.209  -3.212
  322    HD3  LYS  40           HD3      LYS  40 -10.904  11.201  -4.156
  323    HE2  LYS  40           HE2      LYS  40 -12.612  10.928  -2.432
  324    HE3  LYS  40           HE3      LYS  40 -11.562   9.803  -1.543
  325    HZ1  LYS  40           HZ1      LYS  40 -10.794  12.611  -2.101
  326    HZ2  LYS  40           HZ2      LYS  40 -11.506  12.137  -0.687
  327    HZ3  LYS  40           HZ3      LYS  40 -10.027  11.568  -1.124
  328    H    ASN  41           H        ASN  41  -9.635   6.239  -2.726
  329    HA   ASN  41           HA       ASN  41  -8.086   8.075  -1.090
  330    HB2  ASN  41           HB2      ASN  41  -9.877   6.648  -0.142
  331    HB3  ASN  41           HB3      ASN  41  -8.989   5.201  -0.629
  332   HD21  ASN  41          HD22      ASN  41  -8.840   8.059   1.564
  333   HD22  ASN  41          HD21      ASN  41  -7.756   7.308   2.699
  334    H    ASP  42           H        ASP  42  -7.268   5.392  -3.237
  335    HA   ASP  42           HA       ASP  42  -4.986   4.440  -1.838
  336    HB2  ASP  42           HB2      ASP  42  -6.186   3.194  -3.616
  337    HB3  ASP  42           HB3      ASP  42  -5.586   4.348  -4.814
  338    H    THR  43           H        THR  43  -2.728   4.601  -2.521
  339    HA   THR  43           HA       THR  43  -1.912   7.391  -2.930
  340    HB   THR  43           HB       THR  43  -0.229   4.881  -2.608
  341    HG1  THR  43           HG1      THR  43  -1.552   5.267  -0.788
  342   HG21  THR  43          HG21      THR  43   1.065   6.794  -3.518
  343   HG22  THR  43          HG22      THR  43   0.468   7.830  -2.207
  344   HG23  THR  43          HG23      THR  43   1.532   6.452  -1.849
  345    H    VAL  44           H        VAL  44  -0.889   8.180  -4.776
  346    HA   VAL  44           HA       VAL  44  -0.608   6.371  -7.110
  347    HB   VAL  44           HB       VAL  44  -1.976   9.094  -7.205
  348   HG11  VAL  44          HG11      VAL  44  -2.643   8.406  -9.491
  349   HG12  VAL  44          HG12      VAL  44  -0.888   8.440  -9.320
  350   HG13  VAL  44          HG13      VAL  44  -1.751   6.883  -9.282
  351   HG21  VAL  44          HG21      VAL  44  -3.295   6.356  -7.232
  352   HG22  VAL  44          HG22      VAL  44  -3.562   7.673  -6.068
  353   HG23  VAL  44          HG23      VAL  44  -4.097   7.866  -7.733
  354    H    LYS  45           H        LYS  45   1.177   6.899  -8.338
  355    HA   LYS  45           HA       LYS  45   2.648   9.409  -7.664
  356    HB2  LYS  45           HB2      LYS  45   3.660   6.600  -8.212
  357    HB3  LYS  45           HB3      LYS  45   4.677   8.022  -8.444
  358    HG2  LYS  45           HG2      LYS  45   4.429   8.678  -6.094
  359    HG3  LYS  45           HG3      LYS  45   3.299   7.337  -5.807
  360    HD2  LYS  45           HD2      LYS  45   5.049   5.721  -6.421
  361    HD3  LYS  45           HD3      LYS  45   6.211   7.023  -6.679
  362    HE2  LYS  45           HE2      LYS  45   4.806   6.565  -4.007
  363    HE3  LYS  45           HE3      LYS  45   6.268   5.689  -4.465
  364    HZ1  LYS  45           HZ1      LYS  45   6.061   8.629  -4.096
  365    HZ2  LYS  45           HZ2      LYS  45   6.889   7.565  -3.197
  366    HZ3  LYS  45           HZ3      LYS  45   7.382   7.863  -4.718
  367    H    VAL  46           H        VAL  46   3.215  10.634  -9.407
  368    HA   VAL  46           HA       VAL  46   2.645   9.544 -12.125
  369    HB   VAL  46           HB       VAL  46   1.819  11.778 -12.759
  370   HG11  VAL  46          HG11      VAL  46   0.254   9.947 -12.093
  371   HG12  VAL  46          HG12      VAL  46   0.212  10.600 -10.447
  372   HG13  VAL  46          HG13      VAL  46  -0.402  11.564 -11.805
  373   HG21  VAL  46          HG21      VAL  46   1.093  13.418 -11.102
  374   HG22  VAL  46          HG22      VAL  46   1.733  12.436  -9.777
  375   HG23  VAL  46          HG23      VAL  46   2.834  13.176 -10.955
  376    H    TYR  47           H        TYR  47   4.112  10.138 -13.762
  377    HA   TYR  47           HA       TYR  47   6.109  12.146 -13.174
  378    HB2  TYR  47           HB2      TYR  47   8.064  10.791 -13.765
  379    HB3  TYR  47           HB3      TYR  47   7.215  10.120 -12.415
  380    HD1  TYR  47           HD2      TYR  47   7.808   9.756 -16.068
  381    HD2  TYR  47           HD1      TYR  47   6.287   7.878 -12.507
  382    HE1  TYR  47           HE2      TYR  47   7.694   7.602 -17.274
  383    HE2  TYR  47           HE1      TYR  47   6.235   5.701 -13.678
  384    HH   TYR  47           HH       TYR  47   6.684   4.556 -15.710
  385    H    CYS  48           H        CYS  48   7.229  12.804 -15.168
  386    HA   CYS  48           HA       CYS  48   5.881  12.054 -17.712
  387    HB2  CYS  48           HB2      CYS  48   5.794  14.404 -18.387
  388    HB3  CYS  48           HB3      CYS  48   4.863  14.146 -16.908
  389    HG   CYS  48           HG       CYS  48   6.650  14.955 -15.231
  390    H    ASN  49           H        ASN  49   7.893  14.341 -18.783
  391    HA   ASN  49           HA       ASN  49  10.132  12.410 -18.973
  392    HB2  ASN  49           HB2      ASN  49   9.460  13.674 -20.994
  393    HB3  ASN  49           HB3      ASN  49   9.973  15.183 -20.213
  394   HD21  ASN  49          HD22      ASN  49  11.028  11.873 -21.095
  395   HD22  ASN  49          HD21      ASN  49  12.717  12.275 -21.390
  396    H    ALA  50           H        ALA  50   9.582  15.696 -17.610
  397    HA   ALA  50           HA       ALA  50  12.205  15.420 -16.201
  398    HB1  ALA  50           HB1      ALA  50  12.492  17.814 -16.577
  399    HB2  ALA  50           HB2      ALA  50  12.224  16.976 -18.118
  400    HB3  ALA  50           HB3      ALA  50  10.908  17.910 -17.372
  401    H    GLY  51           H        GLY  51   8.808  16.356 -15.739
  402    HA2  GLY  51           HA2      GLY  51   8.310  15.731 -13.332
  403    HA3  GLY  51           HA3      GLY  51   9.399  17.048 -12.893
  404    H    ARG  52           H        ARG  52   8.407  18.809 -15.146
  405    HA   ARG  52           HA       ARG  52   6.497  20.133 -13.563
  406    HB2  ARG  52           HB2      ARG  52   6.299  21.774 -15.217
  407    HB3  ARG  52           HB3      ARG  52   7.980  21.308 -14.990
  408    HG2  ARG  52           HG2      ARG  52   7.855  19.956 -17.118
  409    HG3  ARG  52           HG3      ARG  52   6.185  20.550 -17.343
  410    HD2  ARG  52           HD2      ARG  52   6.992  22.868 -17.207
  411    HD3  ARG  52           HD3      ARG  52   8.648  22.303 -17.022
  412    HE   ARG  52           HE       ARG  52   6.993  22.345 -19.461
  413   HH11  ARG  52          HH11      ARG  52  10.035  21.195 -18.030
  414   HH12  ARG  52          HH12      ARG  52  10.794  20.887 -19.547
  415   HH21  ARG  52          HH21      ARG  52   8.007  21.944 -21.476
  416   HH22  ARG  52          HH22      ARG  52   9.615  21.333 -21.548
  417    H    GLN  53           H        GLN  53   5.905  18.134 -16.503
  418    HA   GLN  53           HA       GLN  53   3.101  18.754 -16.569
  419    HB2  GLN  53           HB2      GLN  53   4.554  16.371 -17.753
  420    HB3  GLN  53           HB3      GLN  53   2.929  16.875 -18.159
  421    HG2  GLN  53           HG2      GLN  53   3.738  18.922 -19.182
  422    HG3  GLN  53           HG3      GLN  53   5.385  18.632 -18.612
  423   HE21  GLN  53          HE22      GLN  53   3.334  18.198 -21.291
  424   HE22  GLN  53          HE21      GLN  53   4.296  17.014 -22.133
  425    H    SER  54           H        SER  54   4.993  16.173 -14.876
  426    HA   SER  54           HA       SER  54   2.621  14.806 -13.948
  427    HB2  SER  54           HB2      SER  54   4.477  14.142 -12.143
  428    HB3  SER  54           HB3      SER  54   4.304  13.394 -13.723
  429    HG   SER  54           HG       SER  54   6.490  14.286 -12.936
  430    H    GLY  55           H        GLY  55   4.586  17.560 -12.793
  431    HA2  GLY  55           HA2      GLY  55   3.289  18.088 -10.352
  432    HA3  GLY  55           HA3      GLY  55   3.965  19.292 -11.478
  433    H    GLN  56           H        GLN  56   2.413  19.184 -13.685
  434    HA   GLN  56           HA       GLN  56  -0.025  20.453 -13.007
  435    HB2  GLN  56           HB2      GLN  56   0.668  19.000 -15.589
  436    HB3  GLN  56           HB3      GLN  56  -0.659  20.133 -15.363
  437    HG2  GLN  56           HG2      GLN  56   1.004  21.929 -14.810
  438    HG3  GLN  56           HG3      GLN  56   2.307  20.788 -15.152
  439   HE21  GLN  56          HE22      GLN  56  -0.479  22.487 -16.677
  440   HE22  GLN  56          HE21      GLN  56   0.153  22.386 -18.299
  441    H    ALA  57           H        ALA  57   0.541  17.027 -14.072
  442    HA   ALA  57           HA       ALA  57  -2.162  16.228 -13.927
  443    HB1  ALA  57           HB1      ALA  57   0.330  14.562 -13.364
  444    HB2  ALA  57           HB2      ALA  57  -1.290  13.929 -13.701
  445    HB3  ALA  57           HB3      ALA  57  -0.420  14.825 -14.958
  446    H    LYS  58           H        LYS  58   0.265  16.570 -11.366
  447    HA   LYS  58           HA       LYS  58  -1.325  15.198  -9.373
  448    HB2  LYS  58           HB2      LYS  58   1.171  15.636  -9.263
  449    HB3  LYS  58           HB3      LYS  58   0.822  17.305  -8.810
  450    HG2  LYS  58           HG2      LYS  58  -0.380  14.964  -7.294
  451    HG3  LYS  58           HG3      LYS  58   1.279  15.456  -6.986
  452    HD2  LYS  58           HD2      LYS  58   0.658  17.566  -6.116
  453    HD3  LYS  58           HD3      LYS  58  -0.975  17.474  -6.777
  454    HE2  LYS  58           HE2      LYS  58  -1.383  15.440  -5.322
  455    HE3  LYS  58           HE3      LYS  58   0.169  15.763  -4.531
  456    HZ1  LYS  58           HZ1      LYS  58  -0.759  17.969  -3.918
  457    HZ2  LYS  58           HZ2      LYS  58  -2.197  17.543  -4.603
  458    HZ3  LYS  58           HZ3      LYS  58  -1.637  16.742  -3.293
  459    H    GLU  59           H        GLU  59  -1.029  18.658 -10.355
  460    HA   GLU  59           HA       GLU  59  -2.911  19.624  -8.430
  461    HB2  GLU  59           HB2      GLU  59  -2.066  20.718 -11.145
  462    HB3  GLU  59           HB3      GLU  59  -3.157  21.554 -10.036
  463    HG2  GLU  59           HG2      GLU  59  -1.409  21.521  -8.273
  464    HG3  GLU  59           HG3      GLU  59  -0.292  20.739  -9.388
  465    H    ILE  60           H        ILE  60  -3.393  18.408 -11.806
  466    HA   ILE  60           HA       ILE  60  -6.188  18.853 -11.963
  467    HB   ILE  60           HB       ILE  60  -4.458  16.634 -13.135
  468   HG12  ILE  60          HG12      ILE  60  -5.666  19.107 -14.458
  469   HG13  ILE  60          HG13      ILE  60  -3.998  18.979 -13.926
  470   HG21  ILE  60          HG21      ILE  60  -6.832  15.855 -13.026
  471   HG22  ILE  60          HG22      ILE  60  -7.320  17.310 -13.918
  472   HG23  ILE  60          HG23      ILE  60  -6.271  16.077 -14.663
  473   HD11  ILE  60          HD11      ILE  60  -3.934  18.530 -16.249
  474   HD12  ILE  60          HD12      ILE  60  -3.784  16.932 -15.481
  475   HD13  ILE  60          HD13      ILE  60  -5.328  17.445 -16.184
  476    H    LEU  61           H        LEU  61  -4.395  15.971 -10.691
  477    HA   LEU  61           HA       LEU  61  -6.871  14.684 -10.003
  478    HB2  LEU  61           HB2      LEU  61  -4.028  14.027  -9.167
  479    HB3  LEU  61           HB3      LEU  61  -5.460  13.013  -8.912
  480    HG   LEU  61           HG       LEU  61  -4.291  13.759 -11.625
  481   HD11  LEU  61          HD11      LEU  61  -3.002  12.053 -10.452
  482   HD12  LEU  61          HD12      LEU  61  -4.476  11.111 -10.140
  483   HD13  LEU  61          HD13      LEU  61  -3.877  11.338 -11.803
  484   HD21  LEU  61          HD21      LEU  61  -6.657  13.692 -11.945
  485   HD22  LEU  61          HD22      LEU  61  -6.005  12.168 -12.522
  486   HD23  LEU  61          HD23      LEU  61  -6.810  12.246 -10.928
  487    H    SER  62           H        SER  62  -4.809  16.904  -8.239
  488    HA   SER  62           HA       SER  62  -5.999  16.444  -5.648
  489    HB2  SER  62           HB2      SER  62  -4.753  18.983  -6.782
  490    HB3  SER  62           HB3      SER  62  -5.068  18.626  -5.076
  491    HG   SER  62           HG       SER  62  -3.322  17.224  -6.843
  492    H    GLU  63           H        GLU  63  -6.835  18.560  -8.474
  493    HA   GLU  63           HA       GLU  63  -9.091  19.780  -7.191
  494    HB2  GLU  63           HB2      GLU  63  -7.895  20.654  -9.202
  495    HB3  GLU  63           HB3      GLU  63  -8.588  19.344 -10.167
  496    HG2  GLU  63           HG2      GLU  63 -10.863  20.162  -9.687
  497    HG3  GLU  63           HG3      GLU  63 -10.211  21.413  -8.626
  498    H    MET  64           H        MET  64  -8.693  16.803  -9.152
  499    HA   MET  64           HA       MET  64 -11.453  15.987  -9.037
  500    HB2  MET  64           HB2      MET  64  -8.891  14.390  -9.385
  501    HB3  MET  64           HB3      MET  64 -10.493  13.702  -9.527
  502    HG2  MET  64           HG2      MET  64  -9.449  15.968 -11.262
  503    HG3  MET  64           HG3      MET  64  -9.433  14.270 -11.710
  504    HE1  MET  64           HE1      MET  64 -13.138  13.362 -12.309
  505    HE2  MET  64           HE2      MET  64 -11.459  12.798 -12.154
  506    HE3  MET  64           HE3      MET  64 -12.402  13.202 -10.703
  507    H    GLY  65           H        GLY  65  -9.088  16.185  -6.531
  508    HA2  GLY  65           HA2      GLY  65  -9.496  15.951  -4.302
  509    HA3  GLY  65           HA3      GLY  65 -11.009  15.106  -4.642
  510    H    TYR  66           H        TYR  66  -8.116  13.799  -6.186
  511    HA   TYR  66           HA       TYR  66  -8.391  11.288  -4.745
  512    HB2  TYR  66           HB2      TYR  66  -6.425  12.346  -6.783
  513    HB3  TYR  66           HB3      TYR  66  -6.147  10.837  -5.914
  514    HD1  TYR  66           HD2      TYR  66  -8.899  12.510  -7.889
  515    HD2  TYR  66           HD1      TYR  66  -6.901   8.836  -6.838
  516    HE1  TYR  66           HE2      TYR  66 -10.466  11.258  -9.333
  517    HE2  TYR  66           HE1      TYR  66  -8.467   7.573  -8.290
  518    HH   TYR  66           HH       TYR  66 -11.156   9.162 -10.063
  519    H    THR  67           H        THR  67  -7.611  10.850  -2.763
  520    HA   THR  67           HA       THR  67  -6.685  12.927  -1.230
  521    HB   THR  67           HB       THR  67  -6.487  10.021  -0.414
  522    HG1  THR  67           HG1      THR  67  -8.733  10.007  -0.180
  523   HG21  THR  67          HG21      THR  67  -7.563  10.874   1.637
  524   HG22  THR  67          HG22      THR  67  -6.094  11.802   1.287
  525   HG23  THR  67          HG23      THR  67  -7.690  12.491   0.903
  526    H    HIS  68           H        HIS  68  -4.688  10.399  -2.789
  527    HA   HIS  68           HA       HIS  68  -2.293  11.447  -1.341
  528    HB2  HIS  68           HB2      HIS  68  -3.164   8.552  -1.632
  529    HB3  HIS  68           HB3      HIS  68  -1.625   9.086  -0.949
  530    HD1  HIS  68           HD1      HIS  68  -4.863   7.968   0.211
  531    HD2  HIS  68           HD2      HIS  68  -2.111  10.976   1.285
  532    HE1  HIS  68           HE1      HIS  68  -5.395   8.607   2.624
  533    H    VAL  69           H        VAL  69  -2.844  12.254  -3.946
  534    HA   VAL  69           HA       VAL  69  -1.133  10.630  -5.707
  535    HB   VAL  69           HB       VAL  69  -2.205  13.425  -6.221
  536   HG11  VAL  69          HG11      VAL  69  -0.393  12.627  -7.772
  537   HG12  VAL  69          HG12      VAL  69  -1.380  11.205  -8.157
  538   HG13  VAL  69          HG13      VAL  69  -1.938  12.839  -8.577
  539   HG21  VAL  69          HG21      VAL  69  -4.001  12.196  -7.531
  540   HG22  VAL  69          HG22      VAL  69  -3.530  10.719  -6.685
  541   HG23  VAL  69          HG23      VAL  69  -4.154  12.119  -5.781
  542    H    GLU  70           H        GLU  70   1.011  11.200  -6.244
  543    HA   GLU  70           HA       GLU  70   2.239  13.598  -4.995
  544    HB2  GLU  70           HB2      GLU  70   2.569  11.650  -3.497
  545    HB3  GLU  70           HB3      GLU  70   3.219  10.708  -4.845
  546    HG2  GLU  70           HG2      GLU  70   5.115  12.294  -5.041
  547    HG3  GLU  70           HG3      GLU  70   4.441  13.272  -3.731
  548    H    ASN  71           H        ASN  71   3.770  14.542  -6.362
  549    HA   ASN  71           HA       ASN  71   4.144  13.403  -9.064
  550    HB2  ASN  71           HB2      ASN  71   3.905  15.849  -8.842
  551    HB3  ASN  71           HB3      ASN  71   5.317  15.902  -7.773
  552   HD21  ASN  71          HD22      ASN  71   5.870  17.489  -9.719
  553   HD22  ASN  71          HD21      ASN  71   6.585  16.751 -11.137
  554    H    ALA  72           H        ALA  72   5.624  11.852  -9.324
  555    HA   ALA  72           HA       ALA  72   7.571  11.164  -7.273
  556    HB1  ALA  72           HB1      ALA  72   7.131  10.202 -10.127
  557    HB2  ALA  72           HB2      ALA  72   8.185   9.417  -8.928
  558    HB3  ALA  72           HB3      ALA  72   6.428   9.473  -8.665
  559    H    GLY  73           H        GLY  73   7.561  13.060 -10.291
  560    HA2  GLY  73           HA2      GLY  73   9.653  14.564 -10.446
  561    HA3  GLY  73           HA3      GLY  73  10.525  13.017 -10.455
  562    H    GLY  74           H        GLY  74  11.237  13.096 -12.566
  563    HA2  GLY  74           HA2      GLY  74   9.172  12.663 -14.671
  564    HA3  GLY  74           HA3      GLY  74  10.634  13.607 -14.984
  565    H    LEU  75           H        LEU  75  10.164  11.344 -16.469
  566    HA   LEU  75           HA       LEU  75  11.250   8.958 -15.435
  567    HB2  LEU  75           HB2      LEU  75   9.795   9.168 -17.427
  568    HB3  LEU  75           HB3      LEU  75  11.078  10.017 -18.296
  569    HG   LEU  75           HG       LEU  75  12.476   7.967 -18.239
  570   HD11  LEU  75          HD11      LEU  75  10.050   6.715 -16.869
  571   HD12  LEU  75          HD12      LEU  75  11.450   5.817 -17.504
  572   HD13  LEU  75          HD13      LEU  75  11.652   6.947 -16.150
  573   HD21  LEU  75          HD21      LEU  75  10.932   8.401 -20.113
  574   HD22  LEU  75          HD22      LEU  75  11.175   6.680 -19.817
  575   HD23  LEU  75          HD23      LEU  75   9.669   7.453 -19.290
  576    H    LYS  76           H        LYS  76  12.855  11.832 -16.744
  577    HA   LYS  76           HA       LYS  76  15.455  10.514 -16.958
  578    HB2  LYS  76           HB2      LYS  76  16.291  12.598 -17.622
  579    HB3  LYS  76           HB3      LYS  76  14.670  12.521 -18.309
  580    HG2  LYS  76           HG2      LYS  76  13.940  13.858 -16.170
  581    HG3  LYS  76           HG3      LYS  76  15.658  14.165 -15.942
  582    HD2  LYS  76           HD2      LYS  76  13.997  14.924 -18.378
  583    HD3  LYS  76           HD3      LYS  76  14.577  16.020 -17.114
  584    HE2  LYS  76           HE2      LYS  76  16.926  15.515 -17.739
  585    HE3  LYS  76           HE3      LYS  76  16.360  14.415 -19.002
  586    HZ1  LYS  76           HZ1      LYS  76  15.841  17.331 -18.929
  587    HZ2  LYS  76           HZ2      LYS  76  16.897  16.574 -19.909
  588    HZ3  LYS  76           HZ3      LYS  76  15.300  16.308 -20.089
  589    H    ASP  77           H        ASP  77  13.599  11.306 -14.267
  590    HA   ASP  77           HA       ASP  77  15.954  12.096 -12.614
  591    HB2  ASP  77           HB2      ASP  77  14.436  13.960 -12.974
  592    HB3  ASP  77           HB3      ASP  77  13.068  12.990 -12.425
  593    H    ILE  78           H        ILE  78  12.820  10.141 -12.608
  594    HA   ILE  78           HA       ILE  78  13.338   8.991 -10.053
  595    HB   ILE  78           HB       ILE  78  12.052   7.803 -12.538
  596   HG12  ILE  78          HG12      ILE  78  10.602   8.837 -10.072
  597   HG13  ILE  78          HG13      ILE  78  11.023   9.942 -11.375
  598   HG21  ILE  78          HG21      ILE  78  12.639   5.964 -11.042
  599   HG22  ILE  78          HG22      ILE  78  12.010   6.841  -9.626
  600   HG23  ILE  78          HG23      ILE  78  10.917   6.226 -10.866
  601   HD11  ILE  78          HD11      ILE  78   9.728   8.759 -12.988
  602   HD12  ILE  78          HD12      ILE  78   9.421   7.405 -11.884
  603   HD13  ILE  78          HD13      ILE  78   8.734   8.979 -11.519
  604    H    ALA  79           H        ALA  79  14.486   7.141  -9.436
  605    HA   ALA  79           HA       ALA  79  16.493   6.031 -11.330
  606    HB1  ALA  79           HB1      ALA  79  16.969   6.927  -8.455
  607    HB2  ALA  79           HB2      ALA  79  18.139   6.089  -9.498
  608    HB3  ALA  79           HB3      ALA  79  17.586   7.720  -9.922
  609    H    MET  80           H        MET  80  14.599   4.516 -11.504
  610    HA   MET  80           HA       MET  80  15.065   2.264  -9.724
  611    HB2  MET  80           HB2      MET  80  12.889   1.863  -9.052
  612    HB3  MET  80           HB3      MET  80  12.998   3.606  -8.878
  613    HG2  MET  80           HG2      MET  80  11.848   3.864 -11.069
  614    HG3  MET  80           HG3      MET  80  11.664   2.114 -11.170
  615    HE1  MET  80           HE1      MET  80   9.084   1.262  -8.403
  616    HE2  MET  80           HE2      MET  80  10.109   0.664  -9.725
  617    HE3  MET  80           HE3      MET  80  10.844   1.180  -8.189
  618    HA   PRO  81           HA       PRO  81  15.141  -0.043 -13.379
  619    HB2  PRO  81           HB2      PRO  81  12.779  -1.726 -12.538
  620    HB3  PRO  81           HB3      PRO  81  14.366  -2.253 -13.176
  621    HG2  PRO  81           HG2      PRO  81  13.867  -2.365 -10.516
  622    HG3  PRO  81           HG3      PRO  81  15.448  -1.753 -11.104
  623    HD2  PRO  81           HD2      PRO  81  13.048  -0.173 -10.169
  624    HD3  PRO  81           HD3      PRO  81  14.782   0.078  -9.799
  625    H    LYS  82           H        LYS  82  14.373  -0.188 -15.487
  626    HA   LYS  82           HA       LYS  82  11.714   1.009 -16.056
  627    HB2  LYS  82           HB2      LYS  82  14.358   1.378 -17.536
  628    HB3  LYS  82           HB3      LYS  82  12.785   1.944 -18.110
  629    HG2  LYS  82           HG2      LYS  82  12.554   3.409 -16.141
  630    HG3  LYS  82           HG3      LYS  82  14.122   2.857 -15.522
  631    HD2  LYS  82           HD2      LYS  82  15.243   3.747 -17.540
  632    HD3  LYS  82           HD3      LYS  82  13.670   4.302 -18.163
  633    HE2  LYS  82           HE2      LYS  82  13.394   5.788 -16.230
  634    HE3  LYS  82           HE3      LYS  82  14.909   5.225 -15.524
  635    HZ1  LYS  82           HZ1      LYS  82  16.120   6.376 -17.079
  636    HZ2  LYS  82           HZ2      LYS  82  14.974   6.357 -18.234
  637    HZ3  LYS  82           HZ3      LYS  82  14.835   7.388 -16.927
  638    H    VAL  83           H        VAL  83  10.850   0.361 -18.110
  639    HA   VAL  83           HA       VAL  83  11.625  -2.330 -19.100
  640    HB   VAL  83           HB       VAL  83   8.886  -1.324 -18.187
  641   HG11  VAL  83          HG11      VAL  83   9.583  -3.968 -19.552
  642   HG12  VAL  83          HG12      VAL  83   8.024  -3.580 -18.796
  643   HG13  VAL  83          HG13      VAL  83   8.547  -2.677 -20.212
  644   HG21  VAL  83          HG21      VAL  83  10.300  -2.136 -16.327
  645   HG22  VAL  83          HG22      VAL  83   8.930  -3.200 -16.606
  646   HG23  VAL  83          HG23      VAL  83  10.548  -3.669 -17.178
  647    H    LYS  84           H        LYS  84  10.753  -2.595 -21.373
  648    HA   LYS  84           HA       LYS  84  10.484   0.011 -22.795
  649    HB2  LYS  84           HB2      LYS  84  12.479  -2.206 -23.468
  650    HB3  LYS  84           HB3      LYS  84  12.202  -0.722 -24.390
  651    HG2  LYS  84           HG2      LYS  84  12.946   0.607 -22.410
  652    HG3  LYS  84           HG3      LYS  84  13.332  -0.882 -21.557
  653    HD2  LYS  84           HD2      LYS  84  15.046  -1.476 -23.105
  654    HD3  LYS  84           HD3      LYS  84  14.596  -0.207 -24.249
  655    HE2  LYS  84           HE2      LYS  84  15.369   0.539 -21.416
  656    HE3  LYS  84           HE3      LYS  84  16.646   0.103 -22.554
  657    HZ1  LYS  84           HZ1      LYS  84  14.665   2.119 -23.342
  658    HZ2  LYS  84           HZ2      LYS  84  15.906   2.568 -22.370
  659    HZ3  LYS  84           HZ3      LYS  84  16.206   1.930 -23.861
  660    H    GLY  85           H        GLY  85   9.650  -0.232 -24.973
  661    HA2  GLY  85           HA2      GLY  85   7.514  -2.075 -25.287
  662    HA3  GLY  85           HA3      GLY  85   8.246  -1.076 -26.556
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1  -1.741   0.564  -1.985
    2    H2   ALA   1           H2       ALA   1  -1.254  -0.803  -1.188
    3    H3   ALA   1           H3       ALA   1  -0.411   0.606  -1.033
    4    HA   ALA   1           HA       ALA   1   0.763  -0.862  -2.489
    5    HB1  ALA   1           HB1      ALA   1  -1.260  -2.100  -3.287
    6    HB2  ALA   1           HB2      ALA   1  -1.718  -0.685  -4.261
    7    HB3  ALA   1           HB3      ALA   1  -0.217  -1.568  -4.608
    8    H    GLU   2           H        GLU   2   0.926  -0.013  -5.189
    9    HA   GLU   2           HA       GLU   2   0.962   2.928  -5.134
   10    HB2  GLU   2           HB2      GLU   2   3.398   1.194  -5.759
   11    HB3  GLU   2           HB3      GLU   2   3.282   2.933  -6.043
   12    HG2  GLU   2           HG2      GLU   2   3.116   3.365  -3.640
   13    HG3  GLU   2           HG3      GLU   2   3.127   1.632  -3.292
   14    H    HIS   3           H        HIS   3   0.634   3.768  -7.160
   15    HA   HIS   3           HA       HIS   3   0.721   1.997  -9.555
   16    HB2  HIS   3           HB2      HIS   3  -1.495   3.874  -8.637
   17    HB3  HIS   3           HB3      HIS   3  -1.293   3.376 -10.314
   18    HD1  HIS   3           HD1      HIS   3  -2.409   1.873  -6.924
   19    HD2  HIS   3           HD2      HIS   3  -1.909   0.874 -11.002
   20    HE1  HIS   3           HE1      HIS   3  -3.576  -0.344  -7.274
   21    H    TRP   4           H        TRP   4   2.577   2.822 -10.427
   22    HA   TRP   4           HA       TRP   4   3.088   5.708 -10.543
   23    HB2  TRP   4           HB2      TRP   4   4.407   3.372 -11.974
   24    HB3  TRP   4           HB3      TRP   4   4.965   5.039 -11.990
   25    HD1  TRP   4           HD1      TRP   4   4.596   2.066  -9.561
   26    HE1  TRP   4           HE1      TRP   4   6.283   2.287  -7.669
   27    HE3  TRP   4           HE3      TRP   4   6.548   6.650 -10.765
   28    HZ2  TRP   4           HZ2      TRP   4   8.319   4.170  -6.823
   29    HZ3  TRP   4           HZ3      TRP   4   8.398   7.601  -9.419
   30    HH2  TRP   4           HH2      TRP   4   9.293   6.379  -7.454
   31    H    ILE   5           H        ILE   5   2.761   6.951 -12.517
   32    HA   ILE   5           HA       ILE   5   1.268   5.598 -14.710
   33    HB   ILE   5           HB       ILE   5   0.373   8.197 -13.438
   34   HG12  ILE   5          HG12      ILE   5  -0.147   6.340 -11.850
   35   HG13  ILE   5          HG13      ILE   5  -1.521   7.236 -12.441
   36   HG21  ILE   5          HG21      ILE   5  -0.901   6.434 -15.576
   37   HG22  ILE   5          HG22      ILE   5  -1.638   7.894 -14.871
   38   HG23  ILE   5          HG23      ILE   5  -0.155   8.012 -15.823
   39   HD11  ILE   5          HD11      ILE   5  -2.240   5.441 -13.866
   40   HD12  ILE   5          HD12      ILE   5  -0.742   4.533 -13.604
   41   HD13  ILE   5          HD13      ILE   5  -1.893   4.764 -12.272
   42    H    ASP   6           H        ASP   6   2.079   6.235 -16.623
   43    HA   ASP   6           HA       ASP   6   4.009   8.494 -16.818
   44    HB2  ASP   6           HB2      ASP   6   4.708   6.611 -18.111
   45    HB3  ASP   6           HB3      ASP   6   3.064   6.271 -18.646
   46    H    VAL   7           H        VAL   7   2.983  10.399 -16.947
   47    HA   VAL   7           HA       VAL   7   0.317  10.495 -18.285
   48    HB   VAL   7           HB       VAL   7  -0.200  12.493 -17.020
   49   HG11  VAL   7          HG11      VAL   7  -0.799  10.290 -16.102
   50   HG12  VAL   7          HG12      VAL   7   0.735  10.239 -15.201
   51   HG13  VAL   7          HG13      VAL   7  -0.480  11.482 -14.838
   52   HG21  VAL   7          HG21      VAL   7   2.103  13.393 -16.684
   53   HG22  VAL   7          HG22      VAL   7   1.202  13.224 -15.169
   54   HG23  VAL   7          HG23      VAL   7   2.450  12.044 -15.572
   55    H    ARG   8           H        ARG   8   3.015  10.629 -19.682
   56    HA   ARG   8           HA       ARG   8   2.609  13.274 -21.016
   57    HB2  ARG   8           HB2      ARG   8   4.971  12.208 -20.134
   58    HB3  ARG   8           HB3      ARG   8   4.917  11.506 -21.746
   59    HG2  ARG   8           HG2      ARG   8   4.452  13.920 -22.607
   60    HG3  ARG   8           HG3      ARG   8   4.780  14.441 -20.961
   61    HD2  ARG   8           HD2      ARG   8   6.969  14.505 -21.424
   62    HD3  ARG   8           HD3      ARG   8   6.950  12.752 -21.676
   63    HE   ARG   8           HE       ARG   8   7.100  13.015 -23.906
   64   HH11  ARG   8          HH21      ARG   8   6.160  16.220 -22.589
   65   HH12  ARG   8          HH22      ARG   8   6.570  17.047 -24.044
   66   HH21  ARG   8          HH11      ARG   8   7.567  14.160 -25.833
   67   HH22  ARG   8          HH12      ARG   8   7.332  15.860 -25.922
   68    H    VAL   9           H        VAL   9   3.530  12.685 -23.514
   69    HA   VAL   9           HA       VAL   9   1.440  11.124 -24.759
   70    HB   VAL   9           HB       VAL   9   2.969  11.401 -26.791
   71   HG11  VAL   9          HG11      VAL   9   1.081  12.914 -26.335
   72   HG12  VAL   9          HG12      VAL   9   2.120  13.940 -25.323
   73   HG13  VAL   9          HG13      VAL   9   2.438  13.785 -27.064
   74   HG21  VAL   9          HG21      VAL   9   5.121  11.729 -25.444
   75   HG22  VAL   9          HG22      VAL   9   4.826  12.899 -26.744
   76   HG23  VAL   9          HG23      VAL   9   4.532  13.363 -25.063
   77    HA   PRO  10           HA       PRO  10   3.240   7.107 -24.355
   78    HB2  PRO  10           HB2      PRO  10   2.738   5.937 -26.820
   79    HB3  PRO  10           HB3      PRO  10   1.518   6.165 -25.525
   80    HG2  PRO  10           HG2      PRO  10   2.079   7.910 -27.938
   81    HG3  PRO  10           HG3      PRO  10   0.486   7.337 -27.333
   82    HD2  PRO  10           HD2      PRO  10   1.373   9.810 -26.760
   83    HD3  PRO  10           HD3      PRO  10   0.559   8.844 -25.495
   84    H    GLU  11           H        GLU  11   4.507   9.270 -26.724
   85    HA   GLU  11           HA       GLU  11   6.482   7.858 -28.013
   86    HB2  GLU  11           HB2      GLU  11   5.710  10.266 -28.303
   87    HB3  GLU  11           HB3      GLU  11   6.700  10.683 -26.906
   88    HG2  GLU  11           HG2      GLU  11   7.937  11.239 -28.847
   89    HG3  GLU  11           HG3      GLU  11   8.718   9.835 -28.137
   90    H    GLN  12           H        GLN  12   6.617   9.128 -24.616
   91    HA   GLN  12           HA       GLN  12   9.398   8.300 -24.311
   92    HB2  GLN  12           HB2      GLN  12   9.072   8.555 -21.914
   93    HB3  GLN  12           HB3      GLN  12   8.643   9.998 -22.818
   94    HG2  GLN  12           HG2      GLN  12   6.309   9.696 -22.415
   95    HG3  GLN  12           HG3      GLN  12   6.523   8.044 -21.838
   96   HE21  GLN  12          HE22      GLN  12   7.081   7.664 -19.658
   97   HE22  GLN  12          HE21      GLN  12   7.201   8.961 -18.501
   98    H    TYR  13           H        TYR  13   6.221   6.788 -23.697
   99    HA   TYR  13           HA       TYR  13   7.123   4.530 -22.297
  100    HB2  TYR  13           HB2      TYR  13   4.717   5.528 -22.811
  101    HB3  TYR  13           HB3      TYR  13   4.750   4.424 -24.168
  102    HD1  TYR  13           HD2      TYR  13   4.708   4.747 -20.486
  103    HD2  TYR  13           HD1      TYR  13   4.540   1.991 -23.800
  104    HE1  TYR  13           HE2      TYR  13   3.946   2.967 -18.952
  105    HE2  TYR  13           HE1      TYR  13   3.740   0.207 -22.278
  106    HH   TYR  13           HH       TYR  13   3.362   0.715 -18.735
  107    H    GLN  14           H        GLN  14   7.096   5.216 -25.781
  108    HA   GLN  14           HA       GLN  14   7.514   2.550 -26.690
  109    HB2  GLN  14           HB2      GLN  14   8.507   5.123 -27.991
  110    HB3  GLN  14           HB3      GLN  14   8.292   3.558 -28.772
  111    HG2  GLN  14           HG2      GLN  14   6.213   5.553 -27.939
  112    HG3  GLN  14           HG3      GLN  14   6.465   4.808 -29.494
  113   HE21  GLN  14          HE21      GLN  14   4.694   4.662 -26.563
  114   HE22  GLN  14          HE22      GLN  14   3.873   3.133 -26.847
  115    H    GLN  15           H        GLN  15   9.720   4.529 -24.895
  116    HA   GLN  15           HA       GLN  15  12.008   2.917 -25.894
  117    HB2  GLN  15           HB2      GLN  15  13.394   4.988 -25.839
  118    HB3  GLN  15           HB3      GLN  15  12.134   4.964 -27.071
  119    HG2  GLN  15           HG2      GLN  15  10.694   6.366 -25.536
  120    HG3  GLN  15           HG3      GLN  15  12.088   6.550 -24.469
  121   HE21  GLN  15          HE22      GLN  15  10.332   7.976 -26.927
  122   HE22  GLN  15          HE21      GLN  15  11.573   9.014 -27.609
  123    H    GLU  16           H        GLU  16  10.687   4.763 -23.069
  124    HA   GLU  16           HA       GLU  16  11.555   2.611 -21.474
  125    HB2  GLU  16           HB2      GLU  16  13.015   3.651 -19.865
  126    HB3  GLU  16           HB3      GLU  16  13.768   3.677 -21.440
  127    HG2  GLU  16           HG2      GLU  16  13.048   6.103 -21.687
  128    HG3  GLU  16           HG3      GLU  16  12.407   6.000 -20.040
  129    H    HIS  17           H        HIS  17  10.233   2.485 -19.697
  130    HA   HIS  17           HA       HIS  17   8.979   4.921 -18.623
  131    HB2  HIS  17           HB2      HIS  17   6.786   3.863 -18.530
  132    HB3  HIS  17           HB3      HIS  17   7.312   4.001 -20.194
  133    HD1  HIS  17           HD1      HIS  17   6.686   1.338 -17.486
  134    HD2  HIS  17           HD2      HIS  17   7.592   1.714 -21.581
  135    HE1  HIS  17           HE1      HIS  17   6.301  -0.957 -18.524
  136    H    VAL  18           H        VAL  18   8.344   4.563 -16.416
  137    HA   VAL  18           HA       VAL  18   9.985   2.851 -14.811
  138    HB   VAL  18           HB       VAL  18   7.371   4.354 -14.352
  139   HG11  VAL  18          HG11      VAL  18   7.353   2.585 -12.699
  140   HG12  VAL  18          HG12      VAL  18   9.073   2.843 -12.320
  141   HG13  VAL  18          HG13      VAL  18   7.860   4.068 -11.892
  142   HG21  VAL  18          HG21      VAL  18   9.374   5.766 -14.762
  143   HG22  VAL  18          HG22      VAL  18   8.785   5.926 -13.111
  144   HG23  VAL  18          HG23      VAL  18  10.226   4.935 -13.445
  145    H    GLN  19           H        GLN  19   9.762   0.705 -14.394
  146    HA   GLN  19           HA       GLN  19   8.285  -0.831 -16.155
  147    HB2  GLN  19           HB2      GLN  19  10.339  -1.484 -14.959
  148    HB3  GLN  19           HB3      GLN  19   9.444  -1.666 -13.454
  149    HG2  GLN  19           HG2      GLN  19   8.487  -3.258 -15.836
  150    HG3  GLN  19           HG3      GLN  19  10.047  -3.691 -15.159
  151   HE21  GLN  19          HE22      GLN  19   6.557  -3.445 -14.374
  152   HE22  GLN  19          HE21      GLN  19   6.630  -4.549 -13.013
  153    H    GLY  20           H        GLY  20   7.234   0.339 -13.011
  154    HA2  GLY  20           HA2      GLY  20   4.831  -1.378 -12.997
  155    HA3  GLY  20           HA3      GLY  20   5.394  -0.308 -11.710
  156    H    ALA  21           H        ALA  21   5.215   0.971 -15.024
  157    HA   ALA  21           HA       ALA  21   2.820   2.550 -14.224
  158    HB1  ALA  21           HB1      ALA  21   4.968   3.869 -14.194
  159    HB2  ALA  21           HB2      ALA  21   5.155   3.499 -15.920
  160    HB3  ALA  21           HB3      ALA  21   3.787   4.485 -15.369
  161    H    ILE  22           H        ILE  22   1.681   3.550 -15.969
  162    HA   ILE  22           HA       ILE  22   1.571   2.090 -18.533
  163    HB   ILE  22           HB       ILE  22  -0.932   2.071 -18.254
  164   HG12  ILE  22          HG12      ILE  22  -0.337   2.565 -15.294
  165   HG13  ILE  22          HG13      ILE  22  -1.161   3.677 -16.387
  166   HG21  ILE  22          HG21      ILE  22   0.542   0.324 -16.237
  167   HG22  ILE  22          HG22      ILE  22  -0.950  -0.063 -17.118
  168   HG23  ILE  22          HG23      ILE  22   0.573   0.069 -17.994
  169   HD11  ILE  22          HD11      ILE  22  -2.815   2.569 -15.053
  170   HD12  ILE  22          HD12      ILE  22  -2.958   1.931 -16.706
  171   HD13  ILE  22          HD13      ILE  22  -2.166   0.969 -15.433
  172    H    ASN  23           H        ASN  23   0.800   3.407 -20.231
  173    HA   ASN  23           HA       ASN  23   1.247   6.261 -19.806
  174    HB2  ASN  23           HB2      ASN  23   2.153   5.219 -21.815
  175    HB3  ASN  23           HB3      ASN  23   0.535   4.685 -22.309
  176   HD21  ASN  23          HD22      ASN  23   2.497   7.621 -21.578
  177   HD22  ASN  23          HD21      ASN  23   1.454   8.759 -22.402
  178    H    ILE  24           H        ILE  24  -0.293   7.561 -19.114
  179    HA   ILE  24           HA       ILE  24  -3.046   7.418 -20.207
  180    HB   ILE  24           HB       ILE  24  -2.434   7.645 -17.235
  181   HG12  ILE  24          HG12      ILE  24  -3.684   5.387 -18.862
  182   HG13  ILE  24          HG13      ILE  24  -2.186   5.325 -17.923
  183   HG21  ILE  24          HG21      ILE  24  -4.374   9.040 -18.082
  184   HG22  ILE  24          HG22      ILE  24  -5.105   7.538 -18.677
  185   HG23  ILE  24          HG23      ILE  24  -4.841   7.799 -16.934
  186   HD11  ILE  24          HD11      ILE  24  -3.875   4.171 -16.704
  187   HD12  ILE  24          HD12      ILE  24  -3.527   5.685 -15.840
  188   HD13  ILE  24          HD13      ILE  24  -5.005   5.518 -16.828
  189    HA   PRO  25           HA       PRO  25  -0.605  11.261 -20.703
  190    HB2  PRO  25           HB2      PRO  25  -2.847  11.794 -22.668
  191    HB3  PRO  25           HB3      PRO  25  -1.091  12.132 -22.841
  192    HG2  PRO  25           HG2      PRO  25  -2.133   9.941 -24.018
  193    HG3  PRO  25           HG3      PRO  25  -0.600   9.792 -23.091
  194    HD2  PRO  25           HD2      PRO  25  -3.410   9.124 -22.171
  195    HD3  PRO  25           HD3      PRO  25  -1.918   8.157 -22.015
  196    H    LEU  26           H        LEU  26  -0.773  13.380 -20.074
  197    HA   LEU  26           HA       LEU  26  -2.386  14.296 -18.125
  198    HB2  LEU  26           HB2      LEU  26  -0.299  15.344 -18.901
  199    HB3  LEU  26           HB3      LEU  26  -1.081  15.852 -20.396
  200    HG   LEU  26           HG       LEU  26  -2.590  17.366 -19.081
  201   HD11  LEU  26          HD11      LEU  26  -2.499  16.164 -16.901
  202   HD12  LEU  26          HD12      LEU  26  -0.783  16.587 -16.755
  203   HD13  LEU  26          HD13      LEU  26  -2.024  17.859 -16.730
  204   HD21  LEU  26          HD21      LEU  26   0.379  17.818 -18.588
  205   HD22  LEU  26          HD22      LEU  26  -0.492  18.199 -20.093
  206   HD23  LEU  26          HD23      LEU  26  -0.897  19.053 -18.598
  207    H    LYS  27           H        LYS  27  -3.166  14.529 -21.604
  208    HA   LYS  27           HA       LYS  27  -5.359  16.328 -21.357
  209    HB2  LYS  27           HB2      LYS  27  -4.807  14.181 -23.453
  210    HB3  LYS  27           HB3      LYS  27  -6.013  15.465 -23.602
  211    HG2  LYS  27           HG2      LYS  27  -4.193  17.173 -23.355
  212    HG3  LYS  27           HG3      LYS  27  -2.996  15.873 -23.383
  213    HD2  LYS  27           HD2      LYS  27  -4.970  16.518 -25.618
  214    HD3  LYS  27           HD3      LYS  27  -3.266  16.993 -25.575
  215    HE2  LYS  27           HE2      LYS  27  -2.597  14.593 -25.518
  216    HE3  LYS  27           HE3      LYS  27  -4.300  14.120 -25.604
  217    HZ1  LYS  27           HZ1      LYS  27  -3.264  14.068 -27.778
  218    HZ2  LYS  27           HZ2      LYS  27  -4.426  15.208 -27.769
  219    HZ3  LYS  27           HZ3      LYS  27  -2.851  15.641 -27.693
  220    H    GLU  28           H        GLU  28  -5.177  12.947 -20.492
  221    HA   GLU  28           HA       GLU  28  -8.163  12.769 -20.407
  222    HB2  GLU  28           HB2      GLU  28  -6.161  10.621 -21.213
  223    HB3  GLU  28           HB3      GLU  28  -7.919  10.439 -21.094
  224    HG2  GLU  28           HG2      GLU  28  -8.188  12.188 -22.872
  225    HG3  GLU  28           HG3      GLU  28  -6.428  12.262 -23.034
  226    H    VAL  29           H        VAL  29  -5.217  12.462 -18.624
  227    HA   VAL  29           HA       VAL  29  -5.726  10.532 -16.771
  228    HB   VAL  29           HB       VAL  29  -3.698  12.098 -17.082
  229   HG11  VAL  29          HG11      VAL  29  -4.889  14.253 -16.632
  230   HG12  VAL  29          HG12      VAL  29  -5.014  13.777 -14.924
  231   HG13  VAL  29          HG13      VAL  29  -3.426  13.995 -15.677
  232   HG21  VAL  29          HG21      VAL  29  -2.906  11.707 -14.788
  233   HG22  VAL  29          HG22      VAL  29  -4.561  11.331 -14.269
  234   HG23  VAL  29          HG23      VAL  29  -3.732  10.288 -15.446
  235    H    LYS  30           H        LYS  30  -7.303  13.689 -16.906
  236    HA   LYS  30           HA       LYS  30  -8.349  13.909 -14.334
  237    HB2  LYS  30           HB2      LYS  30  -8.414  15.610 -16.220
  238    HB3  LYS  30           HB3      LYS  30  -9.770  14.712 -16.912
  239    HG2  LYS  30           HG2      LYS  30 -11.113  15.117 -14.888
  240    HG3  LYS  30           HG3      LYS  30  -9.727  15.890 -14.093
  241    HD2  LYS  30           HD2      LYS  30  -9.733  17.671 -15.808
  242    HD3  LYS  30           HD3      LYS  30 -11.115  16.893 -16.614
  243    HE2  LYS  30           HE2      LYS  30 -12.458  17.149 -14.529
  244    HE3  LYS  30           HE3      LYS  30 -11.088  17.940 -13.742
  245    HZ1  LYS  30           HZ1      LYS  30 -12.523  18.984 -16.118
  246    HZ2  LYS  30           HZ2      LYS  30 -12.668  19.550 -14.599
  247    HZ3  LYS  30           HZ3      LYS  30 -11.256  19.719 -15.392
  248    H    GLU  31           H        GLU  31  -9.537  11.885 -17.021
  249    HA   GLU  31           HA       GLU  31 -11.846  11.029 -15.308
  250    HB2  GLU  31           HB2      GLU  31 -11.369  10.812 -18.309
  251    HB3  GLU  31           HB3      GLU  31 -12.748  10.121 -17.442
  252    HG2  GLU  31           HG2      GLU  31 -13.385  12.404 -16.657
  253    HG3  GLU  31           HG3      GLU  31 -12.054  13.090 -17.590
  254    H    ARG  32           H        ARG  32  -9.089   9.852 -17.301
  255    HA   ARG  32           HA       ARG  32  -9.694   7.088 -16.910
  256    HB2  ARG  32           HB2      ARG  32  -7.146   8.529 -17.720
  257    HB3  ARG  32           HB3      ARG  32  -7.315   6.762 -17.708
  258    HG2  ARG  32           HG2      ARG  32  -9.222   6.933 -19.297
  259    HG3  ARG  32           HG3      ARG  32  -9.001   8.692 -19.367
  260    HD2  ARG  32           HD2      ARG  32  -6.693   8.373 -20.201
  261    HD3  ARG  32           HD3      ARG  32  -6.900   6.617 -20.155
  262    HE   ARG  32           HE       ARG  32  -7.985   8.530 -22.110
  263   HH11  ARG  32          HH11      ARG  32  -8.283   5.172 -20.937
  264   HH12  ARG  32          HH12      ARG  32  -9.001   4.621 -22.405
  265   HH21  ARG  32          HH21      ARG  32  -8.832   7.863 -23.914
  266   HH22  ARG  32          HH22      ARG  32  -9.357   6.212 -24.198
  267    H    ILE  33           H        ILE  33  -8.253   9.324 -14.651
  268    HA   ILE  33           HA       ILE  33  -6.751   7.559 -13.101
  269    HB   ILE  33           HB       ILE  33  -6.865   9.928 -12.662
  270   HG12  ILE  33          HG12      ILE  33  -7.074   9.958 -10.202
  271   HG13  ILE  33          HG13      ILE  33  -7.855   8.384 -10.227
  272   HG21  ILE  33          HG21      ILE  33  -8.769  11.061 -11.622
  273   HG22  ILE  33          HG22      ILE  33  -9.289  10.340 -13.135
  274   HG23  ILE  33          HG23      ILE  33  -9.707   9.564 -11.595
  275   HD11  ILE  33          HD11      ILE  33  -5.023   8.945 -11.226
  276   HD12  ILE  33          HD12      ILE  33  -5.439   8.299  -9.626
  277   HD13  ILE  33          HD13      ILE  33  -5.787   7.344 -11.073
  278    H    ALA  34           H        ALA  34 -10.338   7.785 -13.358
  279    HA   ALA  34           HA       ALA  34 -10.890   6.239 -11.033
  280    HB1  ALA  34           HB1      ALA  34 -13.127   5.952 -12.041
  281    HB2  ALA  34           HB2      ALA  34 -12.577   7.633 -12.176
  282    HB3  ALA  34           HB3      ALA  34 -12.523   6.560 -13.596
  283    H    THR  35           H        THR  35 -10.408   5.254 -14.474
  284    HA   THR  35           HA       THR  35 -10.810   2.448 -13.941
  285    HB   THR  35           HB       THR  35  -9.570   2.432 -16.307
  286    HG1  THR  35           HG1      THR  35  -8.977   4.679 -16.206
  287   HG21  THR  35          HG21      THR  35 -12.340   3.641 -15.873
  288   HG22  THR  35          HG22      THR  35 -11.738   2.928 -17.388
  289   HG23  THR  35          HG23      THR  35 -11.952   1.908 -15.956
  290    H    ALA  36           H        ALA  36  -7.961   4.625 -13.990
  291    HA   ALA  36           HA       ALA  36  -6.007   2.544 -13.983
  292    HB1  ALA  36           HB1      ALA  36  -5.784   5.394 -12.910
  293    HB2  ALA  36           HB2      ALA  36  -4.454   4.327 -13.401
  294    HB3  ALA  36           HB3      ALA  36  -5.608   4.930 -14.610
  295    H    VAL  37           H        VAL  37  -7.497   4.462 -11.329
  296    HA   VAL  37           HA       VAL  37  -6.547   2.522  -9.308
  297    HB   VAL  37           HB       VAL  37  -6.182   5.454  -8.956
  298   HG11  VAL  37          HG11      VAL  37  -6.398   4.015  -6.927
  299   HG12  VAL  37          HG12      VAL  37  -5.023   3.046  -7.490
  300   HG13  VAL  37          HG13      VAL  37  -4.804   4.753  -7.054
  301   HG21  VAL  37          HG21      VAL  37  -4.610   4.920 -10.725
  302   HG22  VAL  37          HG22      VAL  37  -3.724   5.068  -9.216
  303   HG23  VAL  37          HG23      VAL  37  -4.083   3.456  -9.862
  304    HA   PRO  38           HA       PRO  38 -11.022   3.260  -8.943
  305    HB2  PRO  38           HB2      PRO  38 -10.605   1.216  -6.755
  306    HB3  PRO  38           HB3      PRO  38 -11.940   1.336  -7.948
  307    HG2  PRO  38           HG2      PRO  38  -9.921  -0.423  -8.348
  308    HG3  PRO  38           HG3      PRO  38 -10.523   0.571  -9.716
  309    HD2  PRO  38           HD2      PRO  38  -8.055   1.003  -8.022
  310    HD3  PRO  38           HD3      PRO  38  -8.264   1.163  -9.793
  311    H    ASP  39           H        ASP  39  -8.642   3.626  -6.337
  312    HA   ASP  39           HA       ASP  39 -10.390   5.604  -4.999
  313    HB2  ASP  39           HB2      ASP  39 -10.794   3.488  -3.821
  314    HB3  ASP  39           HB3      ASP  39  -9.059   3.245  -3.608
  315    H    LYS  40           H        LYS  40  -9.208   7.403  -4.939
  316    HA   LYS  40           HA       LYS  40  -6.406   7.471  -5.544
  317    HB2  LYS  40           HB2      LYS  40  -8.137   9.712  -4.417
  318    HB3  LYS  40           HB3      LYS  40  -6.604   9.874  -5.284
  319    HG2  LYS  40           HG2      LYS  40  -7.727   8.810  -7.304
  320    HG3  LYS  40           HG3      LYS  40  -9.259   8.910  -6.419
  321    HD2  LYS  40           HD2      LYS  40  -8.813  11.444  -6.197
  322    HD3  LYS  40           HD3      LYS  40  -7.474  11.198  -7.327
  323    HE2  LYS  40           HE2      LYS  40  -9.195  11.805  -8.768
  324    HE3  LYS  40           HE3      LYS  40  -9.244  10.042  -8.862
  325    HZ1  LYS  40           HZ1      LYS  40 -11.464  10.887  -8.574
  326    HZ2  LYS  40           HZ2      LYS  40 -11.076  10.157  -7.171
  327    HZ3  LYS  40           HZ3      LYS  40 -11.047  11.800  -7.285
  328    H    ASN  41           H        ASN  41  -7.885   6.696  -2.596
  329    HA   ASN  41           HA       ASN  41  -5.879   7.797  -0.815
  330    HB2  ASN  41           HB2      ASN  41  -8.106   7.028  -0.027
  331    HB3  ASN  41           HB3      ASN  41  -7.695   5.377  -0.511
  332   HD21  ASN  41          HD22      ASN  41  -7.148   4.145   1.280
  333   HD22  ASN  41          HD21      ASN  41  -6.236   4.733   2.643
  334    H    ASP  42           H        ASP  42  -5.924   5.111  -3.106
  335    HA   ASP  42           HA       ASP  42  -3.608   3.758  -1.905
  336    HB2  ASP  42           HB2      ASP  42  -5.218   2.578  -3.426
  337    HB3  ASP  42           HB3      ASP  42  -4.688   3.637  -4.746
  338    H    THR  43           H        THR  43  -1.401   3.979  -2.818
  339    HA   THR  43           HA       THR  43  -0.799   6.740  -3.242
  340    HB   THR  43           HB       THR  43   1.177   4.538  -3.811
  341    HG1  THR  43           HG1      THR  43   0.563   3.654  -2.061
  342   HG21  THR  43          HG21      THR  43   2.714   6.028  -2.605
  343   HG22  THR  43          HG22      THR  43   1.922   6.882  -3.940
  344   HG23  THR  43          HG23      THR  43   1.379   7.157  -2.270
  345    H    VAL  44           H        VAL  44  -0.574   7.886  -5.177
  346    HA   VAL  44           HA       VAL  44  -0.254   6.294  -7.676
  347    HB   VAL  44           HB       VAL  44  -1.805   8.876  -7.525
  348   HG11  VAL  44          HG11      VAL  44  -1.689   6.672  -9.628
  349   HG12  VAL  44          HG12      VAL  44  -2.668   8.152  -9.725
  350   HG13  VAL  44          HG13      VAL  44  -0.908   8.264  -9.746
  351   HG21  VAL  44          HG21      VAL  44  -2.877   6.051  -7.289
  352   HG22  VAL  44          HG22      VAL  44  -3.167   7.433  -6.213
  353   HG23  VAL  44          HG23      VAL  44  -3.882   7.424  -7.821
  354    H    LYS  45           H        LYS  45   1.375   6.995  -8.979
  355    HA   LYS  45           HA       LYS  45   2.938   9.394  -8.096
  356    HB2  LYS  45           HB2      LYS  45   3.843   6.529  -8.534
  357    HB3  LYS  45           HB3      LYS  45   4.954   7.894  -8.662
  358    HG2  LYS  45           HG2      LYS  45   4.339   8.632  -6.372
  359    HG3  LYS  45           HG3      LYS  45   3.248   7.242  -6.215
  360    HD2  LYS  45           HD2      LYS  45   5.130   5.689  -6.436
  361    HD3  LYS  45           HD3      LYS  45   6.247   7.048  -6.712
  362    HE2  LYS  45           HE2      LYS  45   5.777   7.947  -4.478
  363    HE3  LYS  45           HE3      LYS  45   4.579   6.677  -4.187
  364    HZ1  LYS  45           HZ1      LYS  45   7.463   6.167  -4.621
  365    HZ2  LYS  45           HZ2      LYS  45   6.718   6.175  -3.166
  366    HZ3  LYS  45           HZ3      LYS  45   6.310   5.038  -4.270
  367    H    VAL  46           H        VAL  46   2.147  10.665  -9.746
  368    HA   VAL  46           HA       VAL  46   2.277   9.713 -12.522
  369    HB   VAL  46           HB       VAL  46   1.546  11.996 -13.090
  370   HG11  VAL  46          HG11      VAL  46  -0.118  10.216 -12.640
  371   HG12  VAL  46          HG12      VAL  46  -0.179  10.691 -10.932
  372   HG13  VAL  46          HG13      VAL  46  -0.731  11.808 -12.194
  373   HG21  VAL  46          HG21      VAL  46   1.349  12.526 -10.092
  374   HG22  VAL  46          HG22      VAL  46   2.470  13.318 -11.223
  375   HG23  VAL  46          HG23      VAL  46   0.736  13.561 -11.388
  376    H    TYR  47           H        TYR  47   3.894  10.331 -14.031
  377    HA   TYR  47           HA       TYR  47   5.897  12.288 -13.326
  378    HB2  TYR  47           HB2      TYR  47   7.853  10.892 -13.573
  379    HB3  TYR  47           HB3      TYR  47   6.805  10.137 -12.389
  380    HD1  TYR  47           HD2      TYR  47   5.355   8.141 -13.085
  381    HD2  TYR  47           HD1      TYR  47   8.404   9.833 -15.614
  382    HE1  TYR  47           HE2      TYR  47   5.257   6.148 -14.523
  383    HE2  TYR  47           HE1      TYR  47   8.319   7.814 -17.064
  384    HH   TYR  47           HH       TYR  47   6.017   5.160 -16.522
  385    H    CYS  48           H        CYS  48   7.272  12.724 -15.331
  386    HA   CYS  48           HA       CYS  48   6.360  11.649 -17.889
  387    HB2  CYS  48           HB2      CYS  48   5.712  13.860 -18.798
  388    HB3  CYS  48           HB3      CYS  48   4.668  13.438 -17.431
  389    HG   CYS  48           HG       CYS  48   6.067  14.755 -15.639
  390    H    ASN  49           H        ASN  49   7.784  12.590 -19.651
  391    HA   ASN  49           HA       ASN  49  10.435  12.552 -19.141
  392    HB2  ASN  49           HB2      ASN  49   9.278  12.434 -21.380
  393    HB3  ASN  49           HB3      ASN  49   9.239  14.202 -21.380
  394   HD21  ASN  49          HD22      ASN  49  10.813  14.862 -22.861
  395   HD22  ASN  49          HD21      ASN  49  12.416  14.191 -22.953
  396    H    ALA  50           H        ALA  50   8.581  15.347 -18.261
  397    HA   ALA  50           HA       ALA  50  11.102  16.932 -17.967
  398    HB1  ALA  50           HB1      ALA  50   9.833  18.924 -18.615
  399    HB2  ALA  50           HB2      ALA  50   9.761  17.704 -19.896
  400    HB3  ALA  50           HB3      ALA  50   8.362  17.951 -18.825
  401    H    GLY  51           H        GLY  51   8.620  15.498 -16.170
  402    HA2  GLY  51           HA2      GLY  51   8.024  15.659 -13.979
  403    HA3  GLY  51           HA3      GLY  51   9.218  16.944 -13.757
  404    H    ARG  52           H        ARG  52   8.048  18.716 -15.807
  405    HA   ARG  52           HA       ARG  52   6.215  20.141 -14.249
  406    HB2  ARG  52           HB2      ARG  52   7.604  21.219 -15.923
  407    HB3  ARG  52           HB3      ARG  52   6.909  20.255 -17.219
  408    HG2  ARG  52           HG2      ARG  52   6.074  22.555 -17.274
  409    HG3  ARG  52           HG3      ARG  52   4.778  21.389 -17.054
  410    HD2  ARG  52           HD2      ARG  52   4.438  23.379 -15.649
  411    HD3  ARG  52           HD3      ARG  52   4.645  21.936 -14.654
  412    HE   ARG  52           HE       ARG  52   7.097  23.461 -15.158
  413   HH11  ARG  52          HH21      ARG  52   4.307  23.129 -12.987
  414   HH12  ARG  52          HH22      ARG  52   5.093  23.852 -11.634
  415   HH21  ARG  52          HH11      ARG  52   8.149  24.418 -13.353
  416   HH22  ARG  52          HH12      ARG  52   7.323  24.613 -11.856
  417    H    GLN  53           H        GLN  53   5.528  18.066 -17.128
  418    HA   GLN  53           HA       GLN  53   2.738  18.703 -17.110
  419    HB2  GLN  53           HB2      GLN  53   4.182  16.341 -18.367
  420    HB3  GLN  53           HB3      GLN  53   2.515  16.806 -18.681
  421    HG2  GLN  53           HG2      GLN  53   3.255  18.966 -19.605
  422    HG3  GLN  53           HG3      GLN  53   4.939  18.577 -19.238
  423   HE21  GLN  53          HE22      GLN  53   2.181  17.748 -21.354
  424   HE22  GLN  53          HE21      GLN  53   3.135  16.894 -22.536
  425    H    SER  54           H        SER  54   4.608  16.146 -15.389
  426    HA   SER  54           HA       SER  54   2.200  14.899 -14.385
  427    HB2  SER  54           HB2      SER  54   3.933  13.931 -12.728
  428    HB3  SER  54           HB3      SER  54   3.977  13.474 -14.429
  429    HG   SER  54           HG       SER  54   5.868  14.646 -12.966
  430    H    GLY  55           H        GLY  55   4.275  17.598 -13.342
  431    HA2  GLY  55           HA2      GLY  55   3.077  18.175 -10.852
  432    HA3  GLY  55           HA3      GLY  55   3.725  19.354 -12.022
  433    H    GLN  56           H        GLN  56   2.096  19.201 -14.184
  434    HA   GLN  56           HA       GLN  56  -0.322  20.488 -13.430
  435    HB2  GLN  56           HB2      GLN  56   0.250  19.006 -16.023
  436    HB3  GLN  56           HB3      GLN  56  -1.042  20.165 -15.738
  437    HG2  GLN  56           HG2      GLN  56   0.756  21.907 -15.234
  438    HG3  GLN  56           HG3      GLN  56   1.950  20.723 -15.772
  439   HE21  GLN  56          HE22      GLN  56   2.637  21.251 -17.850
  440   HE22  GLN  56          HE21      GLN  56   1.583  21.785 -19.130
  441    H    ALA  57           H        ALA  57   0.240  17.046 -14.431
  442    HA   ALA  57           HA       ALA  57  -2.459  16.243 -14.246
  443    HB1  ALA  57           HB1      ALA  57  -0.667  14.820 -15.226
  444    HB2  ALA  57           HB2      ALA  57   0.012  14.582 -13.596
  445    HB3  ALA  57           HB3      ALA  57  -1.596  13.956 -13.985
  446    H    LYS  58           H        LYS  58  -0.023  16.683 -11.711
  447    HA   LYS  58           HA       LYS  58  -1.644  15.401  -9.664
  448    HB2  LYS  58           HB2      LYS  58   0.812  15.644  -9.491
  449    HB3  LYS  58           HB3      LYS  58   0.648  17.388  -9.277
  450    HG2  LYS  58           HG2      LYS  58  -0.853  15.472  -7.459
  451    HG3  LYS  58           HG3      LYS  58   0.870  15.736  -7.205
  452    HD2  LYS  58           HD2      LYS  58   0.606  18.042  -6.709
  453    HD3  LYS  58           HD3      LYS  58  -1.043  18.092  -7.332
  454    HE2  LYS  58           HE2      LYS  58  -1.694  16.411  -5.549
  455    HE3  LYS  58           HE3      LYS  58  -0.089  16.657  -4.827
  456    HZ1  LYS  58           HZ1      LYS  58  -2.227  18.659  -5.217
  457    HZ2  LYS  58           HZ2      LYS  58  -1.674  18.114  -3.779
  458    HZ3  LYS  58           HZ3      LYS  58  -0.713  19.072  -4.701
  459    H    GLU  59           H        GLU  59  -1.292  18.804 -10.814
  460    HA   GLU  59           HA       GLU  59  -3.094  19.882  -8.868
  461    HB2  GLU  59           HB2      GLU  59  -2.353  20.839 -11.665
  462    HB3  GLU  59           HB3      GLU  59  -3.360  21.754 -10.550
  463    HG2  GLU  59           HG2      GLU  59  -0.485  20.903  -9.994
  464    HG3  GLU  59           HG3      GLU  59  -0.987  22.486 -10.563
  465    H    ILE  60           H        ILE  60  -3.702  18.506 -12.158
  466    HA   ILE  60           HA       ILE  60  -6.516  18.922 -12.207
  467    HB   ILE  60           HB       ILE  60  -4.798  16.672 -13.342
  468   HG12  ILE  60          HG12      ILE  60  -6.127  19.052 -14.712
  469   HG13  ILE  60          HG13      ILE  60  -4.420  18.958 -14.283
  470   HG21  ILE  60          HG21      ILE  60  -6.674  15.985 -14.735
  471   HG22  ILE  60          HG22      ILE  60  -7.133  15.834 -13.059
  472   HG23  ILE  60          HG23      ILE  60  -7.717  17.227 -13.996
  473   HD11  ILE  60          HD11      ILE  60  -5.890  17.330 -16.381
  474   HD12  ILE  60          HD12      ILE  60  -4.489  18.392 -16.575
  475   HD13  ILE  60          HD13      ILE  60  -4.314  16.828 -15.741
  476    H    LEU  61           H        LEU  61  -4.616  16.121 -10.932
  477    HA   LEU  61           HA       LEU  61  -6.985  14.816 -10.026
  478    HB2  LEU  61           HB2      LEU  61  -4.057  14.345  -9.374
  479    HB3  LEU  61           HB3      LEU  61  -5.369  13.290  -8.843
  480    HG   LEU  61           HG       LEU  61  -4.633  13.860 -11.758
  481   HD11  LEU  61          HD11      LEU  61  -4.062  11.453 -11.823
  482   HD12  LEU  61          HD12      LEU  61  -3.042  12.362 -10.714
  483   HD13  LEU  61          HD13      LEU  61  -4.359  11.342 -10.074
  484   HD21  LEU  61          HD21      LEU  61  -6.881  12.182 -10.628
  485   HD22  LEU  61          HD22      LEU  61  -7.005  13.565 -11.742
  486   HD23  LEU  61          HD23      LEU  61  -6.281  12.078 -12.306
  487    H    SER  62           H        SER  62  -5.019  17.263  -8.504
  488    HA   SER  62           HA       SER  62  -5.970  16.867  -5.842
  489    HB2  SER  62           HB2      SER  62  -5.169  19.467  -7.199
  490    HB3  SER  62           HB3      SER  62  -5.320  19.189  -5.459
  491    HG   SER  62           HG       SER  62  -3.540  17.806  -7.217
  492    H    GLU  63           H        GLU  63  -7.281  18.742  -8.641
  493    HA   GLU  63           HA       GLU  63  -9.609  19.663  -7.208
  494    HB2  GLU  63           HB2      GLU  63  -9.077  19.327 -10.192
  495    HB3  GLU  63           HB3      GLU  63 -10.499  20.111  -9.517
  496    HG2  GLU  63           HG2      GLU  63  -7.628  21.049  -9.087
  497    HG3  GLU  63           HG3      GLU  63  -8.751  21.709 -10.264
  498    H    MET  64           H        MET  64  -8.821  16.671  -8.929
  499    HA   MET  64           HA       MET  64 -11.534  15.615  -8.806
  500    HB2  MET  64           HB2      MET  64  -8.884  14.216  -9.317
  501    HB3  MET  64           HB3      MET  64 -10.460  13.480  -9.488
  502    HG2  MET  64           HG2      MET  64  -9.480  15.844 -11.117
  503    HG3  MET  64           HG3      MET  64  -9.525  14.172 -11.651
  504    HE1  MET  64           HE1      MET  64 -12.580  13.248 -10.465
  505    HE2  MET  64           HE2      MET  64 -13.298  13.395 -12.081
  506    HE3  MET  64           HE3      MET  64 -11.651  12.747 -11.894
  507    H    GLY  65           H        GLY  65  -9.603  16.357  -6.232
  508    HA2  GLY  65           HA2      GLY  65 -10.109  15.893  -4.049
  509    HA3  GLY  65           HA3      GLY  65 -11.236  14.632  -4.567
  510    H    TYR  66           H        TYR  66  -7.724  14.922  -5.271
  511    HA   TYR  66           HA       TYR  66  -7.014  12.302  -4.707
  512    HB2  TYR  66           HB2      TYR  66  -4.826  12.962  -4.828
  513    HB3  TYR  66           HB3      TYR  66  -5.618  14.151  -5.822
  514    HD1  TYR  66           HD1      TYR  66  -6.547  16.171  -3.717
  515    HD2  TYR  66           HD2      TYR  66  -2.880  13.908  -4.022
  516    HE1  TYR  66           HE1      TYR  66  -5.350  17.949  -2.513
  517    HE2  TYR  66           HE2      TYR  66  -1.692  15.653  -2.770
  518    HH   TYR  66           HH       TYR  66  -3.287  18.681  -1.678
  519    H    THR  67           H        THR  67  -5.737  11.339  -3.004
  520    HA   THR  67           HA       THR  67  -5.586  12.764  -0.425
  521    HB   THR  67           HB       THR  67  -5.943  10.269   0.506
  522    HG1  THR  67           HG1      THR  67  -7.757  10.434  -1.673
  523   HG21  THR  67          HG21      THR  67  -8.227  12.143  -0.231
  524   HG22  THR  67          HG22      THR  67  -8.273  10.862   1.005
  525   HG23  THR  67          HG23      THR  67  -7.209  12.264   1.222
  526    H    HIS  68           H        HIS  68  -4.313   9.986  -2.438
  527    HA   HIS  68           HA       HIS  68  -1.627  10.763  -1.415
  528    HB2  HIS  68           HB2      HIS  68  -2.738   7.944  -1.661
  529    HB3  HIS  68           HB3      HIS  68  -1.044   8.329  -1.362
  530    HD1  HIS  68           HD1      HIS  68  -3.701   7.157   0.631
  531    HD2  HIS  68           HD2      HIS  68  -0.939  10.318   0.935
  532    HE1  HIS  68           HE1      HIS  68  -3.591   7.776   3.101
  533    H    VAL  69           H        VAL  69  -2.793  11.661  -3.822
  534    HA   VAL  69           HA       VAL  69  -1.216  10.290  -5.936
  535    HB   VAL  69           HB       VAL  69  -2.874  12.843  -6.070
  536   HG11  VAL  69          HG11      VAL  69  -2.719  12.611  -8.485
  537   HG12  VAL  69          HG12      VAL  69  -1.115  12.770  -7.796
  538   HG13  VAL  69          HG13      VAL  69  -1.689  11.172  -8.324
  539   HG21  VAL  69          HG21      VAL  69  -3.641  10.082  -7.126
  540   HG22  VAL  69          HG22      VAL  69  -4.329  10.820  -5.677
  541   HG23  VAL  69          HG23      VAL  69  -4.586  11.571  -7.254
  542    H    GLU  70           H        GLU  70   0.823  11.132  -6.551
  543    HA   GLU  70           HA       GLU  70   1.651  13.786  -5.541
  544    HB2  GLU  70           HB2      GLU  70   2.287  12.101  -3.826
  545    HB3  GLU  70           HB3      GLU  70   3.150  11.165  -5.052
  546    HG2  GLU  70           HG2      GLU  70   4.746  12.991  -5.380
  547    HG3  GLU  70           HG3      GLU  70   3.817  14.047  -4.312
  548    H    ASN  71           H        ASN  71   3.194  14.757  -6.916
  549    HA   ASN  71           HA       ASN  71   3.745  13.441  -9.514
  550    HB2  ASN  71           HB2      ASN  71   3.296  15.850  -9.626
  551    HB3  ASN  71           HB3      ASN  71   4.555  16.166  -8.420
  552   HD21  ASN  71          HD22      ASN  71   5.596  17.570 -10.101
  553   HD22  ASN  71          HD21      ASN  71   6.380  16.841 -11.485
  554    H    ALA  72           H        ALA  72   5.246  11.915  -9.415
  555    HA   ALA  72           HA       ALA  72   7.063  11.612  -7.209
  556    HB1  ALA  72           HB1      ALA  72   7.980   9.791  -8.664
  557    HB2  ALA  72           HB2      ALA  72   6.217   9.716  -8.455
  558    HB3  ALA  72           HB3      ALA  72   6.901  10.347  -9.971
  559    H    GLY  73           H        GLY  73   7.313  13.195 -10.390
  560    HA2  GLY  73           HA2      GLY  73   9.255  14.928 -10.300
  561    HA3  GLY  73           HA3      GLY  73  10.251  13.464 -10.151
  562    H    GLY  74           H        GLY  74  11.170  14.155 -12.231
  563    HA2  GLY  74           HA2      GLY  74   9.446  13.672 -14.577
  564    HA3  GLY  74           HA3      GLY  74  11.114  14.244 -14.612
  565    H    LEU  75           H        LEU  75  10.157  12.101 -16.181
  566    HA   LEU  75           HA       LEU  75  10.950   9.510 -15.289
  567    HB2  LEU  75           HB2      LEU  75   9.763   9.869 -17.418
  568    HB3  LEU  75           HB3      LEU  75  11.055  10.916 -17.986
  569    HG   LEU  75           HG       LEU  75  12.602   9.049 -18.180
  570   HD11  LEU  75          HD11      LEU  75  11.588   7.596 -16.346
  571   HD12  LEU  75          HD12      LEU  75  10.298   7.177 -17.487
  572   HD13  LEU  75          HD13      LEU  75  11.962   6.755 -17.864
  573   HD21  LEU  75          HD21      LEU  75   9.940   8.511 -19.547
  574   HD22  LEU  75          HD22      LEU  75  11.128   9.731 -20.054
  575   HD23  LEU  75          HD23      LEU  75  11.542   8.019 -20.116
  576    H    LYS  76           H        LYS  76  12.796  12.317 -16.430
  577    HA   LYS  76           HA       LYS  76  15.358  11.035 -16.637
  578    HB2  LYS  76           HB2      LYS  76  14.610  13.958 -16.156
  579    HB3  LYS  76           HB3      LYS  76  16.214  13.373 -16.610
  580    HG2  LYS  76           HG2      LYS  76  15.331  12.507 -18.750
  581    HG3  LYS  76           HG3      LYS  76  13.703  13.067 -18.322
  582    HD2  LYS  76           HD2      LYS  76  14.536  15.403 -18.196
  583    HD3  LYS  76           HD3      LYS  76  16.156  14.842 -18.673
  584    HE2  LYS  76           HE2      LYS  76  15.211  13.957 -20.797
  585    HE3  LYS  76           HE3      LYS  76  13.602  14.513 -20.312
  586    HZ1  LYS  76           HZ1      LYS  76  15.937  16.280 -20.781
  587    HZ2  LYS  76           HZ2      LYS  76  14.686  16.086 -21.803
  588    HZ3  LYS  76           HZ3      LYS  76  14.441  16.786 -20.352
  589    H    ASP  77           H        ASP  77  13.450  11.798 -13.859
  590    HA   ASP  77           HA       ASP  77  15.857  12.070 -12.121
  591    HB2  ASP  77           HB2      ASP  77  14.367  14.004 -12.067
  592    HB3  ASP  77           HB3      ASP  77  12.993  12.965 -11.675
  593    H    ILE  78           H        ILE  78  12.602  10.335 -12.424
  594    HA   ILE  78           HA       ILE  78  13.049   8.800 -10.075
  595    HB   ILE  78           HB       ILE  78  11.461   8.316 -12.613
  596   HG12  ILE  78          HG12      ILE  78  10.358   9.039  -9.860
  597   HG13  ILE  78          HG13      ILE  78  11.030  10.310 -10.869
  598   HG21  ILE  78          HG21      ILE  78  11.338   6.763  -9.987
  599   HG22  ILE  78          HG22      ILE  78  10.102   6.688 -11.252
  600   HG23  ILE  78          HG23      ILE  78  11.728   6.125 -11.611
  601   HD11  ILE  78          HD11      ILE  78   8.752  10.278 -11.320
  602   HD12  ILE  78          HD12      ILE  78   9.562   9.602 -12.749
  603   HD13  ILE  78          HD13      ILE  78   8.714   8.520 -11.615
  604    H    ALA  79           H        ALA  79  14.067   6.890  -9.677
  605    HA   ALA  79           HA       ALA  79  15.752   5.709 -11.820
  606    HB1  ALA  79           HB1      ALA  79  17.050   7.164 -10.268
  607    HB2  ALA  79           HB2      ALA  79  16.493   6.177  -8.896
  608    HB3  ALA  79           HB3      ALA  79  17.535   5.464 -10.147
  609    H    MET  80           H        MET  80  13.141   4.918 -10.999
  610    HA   MET  80           HA       MET  80  13.280   2.343  -9.602
  611    HB2  MET  80           HB2      MET  80  11.246   3.663 -11.464
  612    HB3  MET  80           HB3      MET  80  11.021   2.048 -10.815
  613    HG2  MET  80           HG2      MET  80  11.349   4.554  -9.131
  614    HG3  MET  80           HG3      MET  80   9.812   3.808  -9.548
  615    HE1  MET  80           HE1      MET  80  10.093   0.711  -9.149
  616    HE2  MET  80           HE2      MET  80   9.659   0.589  -7.433
  617    HE3  MET  80           HE3      MET  80   8.798   1.732  -8.486
  618    HA   PRO  81           HA       PRO  81  14.631  -0.116 -13.171
  619    HB2  PRO  81           HB2      PRO  81  12.088  -1.704 -12.787
  620    HB3  PRO  81           HB3      PRO  81  13.760  -2.300 -13.026
  621    HG2  PRO  81           HG2      PRO  81  12.644  -2.307 -10.554
  622    HG3  PRO  81           HG3      PRO  81  14.345  -1.778 -10.768
  623    HD2  PRO  81           HD2      PRO  81  11.868  -0.068 -10.472
  624    HD3  PRO  81           HD3      PRO  81  13.470   0.121  -9.693
  625    H    LYS  82           H        LYS  82  14.197  -0.046 -15.455
  626    HA   LYS  82           HA       LYS  82  11.541   0.948 -16.299
  627    HB2  LYS  82           HB2      LYS  82  14.262   1.929 -17.269
  628    HB3  LYS  82           HB3      LYS  82  12.704   2.378 -17.964
  629    HG2  LYS  82           HG2      LYS  82  12.057   3.548 -15.907
  630    HG3  LYS  82           HG3      LYS  82  13.565   3.035 -15.121
  631    HD2  LYS  82           HD2      LYS  82  14.889   4.219 -16.841
  632    HD3  LYS  82           HD3      LYS  82  13.381   4.761 -17.607
  633    HE2  LYS  82           HE2      LYS  82  12.773   6.017 -15.592
  634    HE3  LYS  82           HE3      LYS  82  14.205   5.430 -14.738
  635    HZ1  LYS  82           HZ1      LYS  82  14.316   7.720 -15.845
  636    HZ2  LYS  82           HZ2      LYS  82  15.587   6.709 -16.088
  637    HZ3  LYS  82           HZ3      LYS  82  14.486   6.904 -17.281
  638    H    VAL  83           H        VAL  83  10.962   0.325 -18.427
  639    HA   VAL  83           HA       VAL  83  12.730  -1.381 -20.013
  640    HB   VAL  83           HB       VAL  83  10.609  -2.799 -20.367
  641   HG11  VAL  83          HG11      VAL  83  11.204  -4.403 -18.629
  642   HG12  VAL  83          HG12      VAL  83  12.672  -3.662 -19.283
  643   HG13  VAL  83          HG13      VAL  83  12.043  -3.145 -17.703
  644   HG21  VAL  83          HG21      VAL  83   9.048  -3.102 -18.555
  645   HG22  VAL  83          HG22      VAL  83   9.881  -1.891 -17.562
  646   HG23  VAL  83          HG23      VAL  83   9.036  -1.401 -19.045
  647    H    LYS  84           H        LYS  84  11.792  -1.473 -22.276
  648    HA   LYS  84           HA       LYS  84  10.300   1.005 -22.925
  649    HB2  LYS  84           HB2      LYS  84  10.678   0.442 -25.236
  650    HB3  LYS  84           HB3      LYS  84  12.205   0.459 -24.357
  651    HG2  LYS  84           HG2      LYS  84  12.225  -1.998 -24.261
  652    HG3  LYS  84           HG3      LYS  84  10.685  -2.068 -25.130
  653    HD2  LYS  84           HD2      LYS  84  13.276  -0.882 -26.219
  654    HD3  LYS  84           HD3      LYS  84  12.649  -2.497 -26.582
  655    HE2  LYS  84           HE2      LYS  84  10.591  -1.472 -27.557
  656    HE3  LYS  84           HE3      LYS  84  11.256   0.138 -27.253
  657    HZ1  LYS  84           HZ1      LYS  84  12.460  -1.891 -29.045
  658    HZ2  LYS  84           HZ2      LYS  84  11.653  -0.559 -29.520
  659    HZ3  LYS  84           HZ3      LYS  84  13.084  -0.407 -28.757
  660    H    GLY  85           H        GLY  85   8.340   0.901 -24.145
  661    HA2  GLY  85           HA2      GLY  85   6.355  -0.897 -23.257
  662    HA3  GLY  85           HA3      GLY  85   6.251   0.153 -24.683
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1  -1.689   1.429  -0.857
    2    H2   ALA   1           H2       ALA   1  -1.084   0.254   0.140
    3    H3   ALA   1           H3       ALA   1  -0.370   1.739   0.058
    4    HA   ALA   1           HA       ALA   1   0.932   0.167  -1.157
    5    HB1  ALA   1           HB1      ALA   1  -1.553  -0.169  -2.898
    6    HB2  ALA   1           HB2      ALA   1   0.026  -0.946  -3.132
    7    HB3  ALA   1           HB3      ALA   1  -0.955  -1.362  -1.726
    8    H    GLU   2           H        GLU   2   1.063   0.587  -3.951
    9    HA   GLU   2           HA       GLU   2   0.924   3.498  -4.356
   10    HB2  GLU   2           HB2      GLU   2   3.484   1.842  -4.564
   11    HB3  GLU   2           HB3      GLU   2   3.306   3.509  -5.118
   12    HG2  GLU   2           HG2      GLU   2   2.967   4.281  -2.816
   13    HG3  GLU   2           HG3      GLU   2   3.053   2.623  -2.213
   14    H    HIS   3           H        HIS   3   1.003   4.043  -6.562
   15    HA   HIS   3           HA       HIS   3   1.452   1.973  -8.604
   16    HB2  HIS   3           HB2      HIS   3  -1.006   3.776  -8.407
   17    HB3  HIS   3           HB3      HIS   3  -0.490   3.009  -9.904
   18    HD1  HIS   3           HD1      HIS   3  -0.650   0.232  -9.951
   19    HD2  HIS   3           HD2      HIS   3  -2.471   2.303  -6.771
   20    HE1  HIS   3           HE1      HIS   3  -2.275  -1.401  -8.874
   21    H    TRP   4           H        TRP   4   2.128   3.005 -10.609
   22    HA   TRP   4           HA       TRP   4   2.930   5.853 -10.341
   23    HB2  TRP   4           HB2      TRP   4   4.501   3.548 -11.536
   24    HB3  TRP   4           HB3      TRP   4   4.924   5.243 -11.709
   25    HD1  TRP   4           HD1      TRP   4   6.251   6.378  -9.828
   26    HE1  TRP   4           HE1      TRP   4   7.263   5.653  -7.603
   27    HE3  TRP   4           HE3      TRP   4   4.069   1.761  -9.422
   28    HZ2  TRP   4           HZ2      TRP   4   7.031   3.407  -5.773
   29    HZ3  TRP   4           HZ3      TRP   4   4.466   0.360  -7.417
   30    HH2  TRP   4           HH2      TRP   4   5.946   1.172  -5.590
   31    H    ILE   5           H        ILE   5   2.864   7.006 -12.362
   32    HA   ILE   5           HA       ILE   5   1.358   5.641 -14.543
   33    HB   ILE   5           HB       ILE   5   0.589   8.347 -13.455
   34   HG12  ILE   5          HG12      ILE   5   0.122   6.749 -11.600
   35   HG13  ILE   5          HG13      ILE   5  -1.262   7.596 -12.238
   36   HG21  ILE   5          HG21      ILE   5  -0.845   6.359 -15.251
   37   HG22  ILE   5          HG22      ILE   5  -1.493   7.933 -14.725
   38   HG23  ILE   5          HG23      ILE   5  -0.059   7.853 -15.762
   39   HD11  ILE   5          HD11      ILE   5  -1.642   5.164 -11.681
   40   HD12  ILE   5          HD12      ILE   5  -2.142   5.655 -13.303
   41   HD13  ILE   5          HD13      ILE   5  -0.639   4.745 -13.083
   42    H    ASP   6           H        ASP   6   2.228   6.165 -16.457
   43    HA   ASP   6           HA       ASP   6   4.176   8.403 -16.742
   44    HB2  ASP   6           HB2      ASP   6   4.894   6.461 -17.945
   45    HB3  ASP   6           HB3      ASP   6   3.254   6.097 -18.482
   46    H    VAL   7           H        VAL   7   3.086  10.291 -16.900
   47    HA   VAL   7           HA       VAL   7   0.411  10.261 -18.199
   48    HB   VAL   7           HB       VAL   7  -0.100  12.321 -17.015
   49   HG11  VAL   7          HG11      VAL   7   0.902  10.144 -15.140
   50   HG12  VAL   7          HG12      VAL   7  -0.314  11.388 -14.789
   51   HG13  VAL   7          HG13      VAL   7  -0.656  10.152 -16.001
   52   HG21  VAL   7          HG21      VAL   7   2.188  13.266 -16.771
   53   HG22  VAL   7          HG22      VAL   7   1.375  13.090 -15.207
   54   HG23  VAL   7          HG23      VAL   7   2.616  11.937 -15.660
   55    H    ARG   8           H        ARG   8   3.054  10.347 -19.676
   56    HA   ARG   8           HA       ARG   8   2.510  12.886 -21.162
   57    HB2  ARG   8           HB2      ARG   8   4.899  12.155 -20.095
   58    HB3  ARG   8           HB3      ARG   8   5.007  11.312 -21.638
   59    HG2  ARG   8           HG2      ARG   8   4.438  13.530 -22.777
   60    HG3  ARG   8           HG3      ARG   8   4.503  14.299 -21.191
   61    HD2  ARG   8           HD2      ARG   8   6.835  13.806 -20.962
   62    HD3  ARG   8           HD3      ARG   8   6.826  12.711 -22.348
   63    HE   ARG   8           HE       ARG   8   6.460  15.684 -22.421
   64   HH11  ARG   8          HH11      ARG   8   7.432  12.705 -24.145
   65   HH12  ARG   8          HH12      ARG   8   7.833  13.527 -25.621
   66   HH21  ARG   8          HH21      ARG   8   7.105  16.754 -24.353
   67   HH22  ARG   8          HH22      ARG   8   7.692  15.854 -25.705
   68    H    VAL   9           H        VAL   9   3.543  12.298 -23.574
   69    HA   VAL   9           HA       VAL   9   1.535  10.555 -24.729
   70    HB   VAL   9           HB       VAL   9   2.869  11.115 -26.859
   71   HG11  VAL   9          HG11      VAL   9   1.682  13.403 -25.225
   72   HG12  VAL   9          HG12      VAL   9   1.922  13.384 -26.986
   73   HG13  VAL   9          HG13      VAL   9   0.783  12.254 -26.238
   74   HG21  VAL   9          HG21      VAL   9   4.154  13.311 -25.185
   75   HG22  VAL   9          HG22      VAL   9   4.995  11.792 -25.538
   76   HG23  VAL   9          HG23      VAL   9   4.476  12.855 -26.861
   77    HA   PRO  10           HA       PRO  10   3.790   6.718 -24.902
   78    HB2  PRO  10           HB2      PRO  10   3.169   6.732 -27.860
   79    HB3  PRO  10           HB3      PRO  10   3.008   5.391 -26.681
   80    HG2  PRO  10           HG2      PRO  10   0.825   6.804 -27.428
   81    HG3  PRO  10           HG3      PRO  10   1.072   6.389 -25.699
   82    HD2  PRO  10           HD2      PRO  10   1.630   9.009 -27.102
   83    HD3  PRO  10           HD3      PRO  10   0.865   8.705 -25.511
   84    H    GLU  11           H        GLU  11   4.834   9.399 -26.884
   85    HA   GLU  11           HA       GLU  11   7.022   8.496 -28.284
   86    HB2  GLU  11           HB2      GLU  11   6.096  10.814 -28.222
   87    HB3  GLU  11           HB3      GLU  11   6.775  11.020 -26.602
   88    HG2  GLU  11           HG2      GLU  11   9.065  10.751 -27.526
   89    HG3  GLU  11           HG3      GLU  11   8.376  10.561 -29.144
   90    H    GLN  12           H        GLN  12   6.828   9.033 -24.735
   91    HA   GLN  12           HA       GLN  12   9.672   8.274 -24.425
   92    HB2  GLN  12           HB2      GLN  12   9.215   8.372 -21.995
   93    HB3  GLN  12           HB3      GLN  12   9.033   9.890 -22.859
   94    HG2  GLN  12           HG2      GLN  12   6.634   9.826 -22.694
   95    HG3  GLN  12           HG3      GLN  12   6.641   8.169 -22.079
   96   HE21  GLN  12          HE22      GLN  12   7.320   7.761 -19.898
   97   HE22  GLN  12          HE21      GLN  12   7.347   9.056 -18.733
   98    H    TYR  13           H        TYR  13   6.433   6.853 -23.725
   99    HA   TYR  13           HA       TYR  13   7.293   4.599 -22.384
  100    HB2  TYR  13           HB2      TYR  13   4.930   5.574 -22.777
  101    HB3  TYR  13           HB3      TYR  13   4.901   4.643 -24.259
  102    HD1  TYR  13           HD1      TYR  13   4.747   2.147 -24.169
  103    HD2  TYR  13           HD2      TYR  13   4.784   4.544 -20.583
  104    HE1  TYR  13           HE1      TYR  13   3.881   0.222 -22.873
  105    HE2  TYR  13           HE2      TYR  13   3.939   2.627 -19.276
  106    HH   TYR  13           HH       TYR  13   3.282   0.386 -19.332
  107    H    GLN  14           H        GLN  14   6.991   5.058 -25.891
  108    HA   GLN  14           HA       GLN  14   7.459   2.366 -26.692
  109    HB2  GLN  14           HB2      GLN  14   7.763   5.068 -28.067
  110    HB3  GLN  14           HB3      GLN  14   8.021   3.545 -28.915
  111    HG2  GLN  14           HG2      GLN  14   5.415   4.342 -27.549
  112    HG3  GLN  14           HG3      GLN  14   5.743   4.466 -29.268
  113   HE21  GLN  14          HE22      GLN  14   4.157   2.558 -27.069
  114   HE22  GLN  14          HE21      GLN  14   4.245   1.024 -27.892
  115    H    GLN  15           H        GLN  15   9.717   4.452 -25.186
  116    HA   GLN  15           HA       GLN  15  11.922   2.784 -26.259
  117    HB2  GLN  15           HB2      GLN  15  13.422   4.745 -26.239
  118    HB3  GLN  15           HB3      GLN  15  12.138   4.839 -27.443
  119    HG2  GLN  15           HG2      GLN  15  10.854   6.358 -25.967
  120    HG3  GLN  15           HG3      GLN  15  12.162   6.327 -24.779
  121   HE21  GLN  15          HE22      GLN  15  10.828   8.245 -27.059
  122   HE22  GLN  15          HE21      GLN  15  12.251   9.094 -27.644
  123    H    GLU  16           H        GLU  16  10.596   4.539 -23.419
  124    HA   GLU  16           HA       GLU  16  11.545   2.406 -21.838
  125    HB2  GLU  16           HB2      GLU  16  12.962   3.564 -20.224
  126    HB3  GLU  16           HB3      GLU  16  13.709   3.542 -21.801
  127    HG2  GLU  16           HG2      GLU  16  12.752   5.938 -22.131
  128    HG3  GLU  16           HG3      GLU  16  12.399   5.895 -20.401
  129    H    HIS  17           H        HIS  17  10.284   2.277 -19.971
  130    HA   HIS  17           HA       HIS  17   9.010   4.702 -18.935
  131    HB2  HIS  17           HB2      HIS  17   6.823   3.661 -18.734
  132    HB3  HIS  17           HB3      HIS  17   7.297   3.722 -20.423
  133    HD1  HIS  17           HD1      HIS  17   6.763   1.160 -17.588
  134    HD2  HIS  17           HD2      HIS  17   7.601   1.389 -21.714
  135    HE1  HIS  17           HE1      HIS  17   6.421  -1.182 -18.529
  136    H    VAL  18           H        VAL  18   8.412   4.428 -16.706
  137    HA   VAL  18           HA       VAL  18  10.161   2.843 -15.096
  138    HB   VAL  18           HB       VAL  18   7.601   4.411 -14.645
  139   HG11  VAL  18          HG11      VAL  18   8.073   4.268 -12.188
  140   HG12  VAL  18          HG12      VAL  18   7.541   2.741 -12.884
  141   HG13  VAL  18          HG13      VAL  18   9.266   2.993 -12.521
  142   HG21  VAL  18          HG21      VAL  18   9.078   6.017 -13.579
  143   HG22  VAL  18          HG22      VAL  18  10.476   4.933 -13.777
  144   HG23  VAL  18          HG23      VAL  18   9.692   5.668 -15.189
  145    H    GLN  19           H        GLN  19  10.021   0.761 -14.437
  146    HA   GLN  19           HA       GLN  19   8.457  -1.033 -15.877
  147    HB2  GLN  19           HB2      GLN  19  10.592  -1.530 -14.777
  148    HB3  GLN  19           HB3      GLN  19   9.855  -1.412 -13.184
  149    HG2  GLN  19           HG2      GLN  19   8.681  -3.401 -15.135
  150    HG3  GLN  19           HG3      GLN  19  10.282  -3.733 -14.495
  151   HE21  GLN  19          HE22      GLN  19   6.853  -3.298 -13.554
  152   HE22  GLN  19          HE21      GLN  19   7.018  -4.109 -12.008
  153    H    GLY  20           H        GLY  20   7.733   0.494 -12.782
  154    HA2  GLY  20           HA2      GLY  20   5.343  -1.163 -12.320
  155    HA3  GLY  20           HA3      GLY  20   6.012   0.081 -11.259
  156    H    ALA  21           H        ALA  21   5.652   1.107 -14.594
  157    HA   ALA  21           HA       ALA  21   3.238   2.644 -13.795
  158    HB1  ALA  21           HB1      ALA  21   4.109   4.575 -14.981
  159    HB2  ALA  21           HB2      ALA  21   5.329   4.033 -13.817
  160    HB3  ALA  21           HB3      ALA  21   5.508   3.647 -15.546
  161    H    ILE  22           H        ILE  22   2.116   3.627 -15.610
  162    HA   ILE  22           HA       ILE  22   1.794   1.908 -17.992
  163    HB   ILE  22           HB       ILE  22  -0.695   1.956 -17.419
  164   HG12  ILE  22          HG12      ILE  22   0.298   2.589 -14.582
  165   HG13  ILE  22          HG13      ILE  22  -0.611   3.691 -15.616
  166   HG21  ILE  22          HG21      ILE  22  -0.573  -0.094 -16.145
  167   HG22  ILE  22          HG22      ILE  22   0.812  -0.048 -17.232
  168   HG23  ILE  22          HG23      ILE  22   1.030   0.323 -15.508
  169   HD11  ILE  22          HD11      ILE  22  -1.606   1.071 -14.437
  170   HD12  ILE  22          HD12      ILE  22  -2.129   2.713 -14.046
  171   HD13  ILE  22          HD13      ILE  22  -2.505   2.027 -15.641
  172    H    ASN  23           H        ASN  23   0.893   3.062 -19.750
  173    HA   ASN  23           HA       ASN  23   1.358   5.937 -19.594
  174    HB2  ASN  23           HB2      ASN  23   2.146   4.677 -21.541
  175    HB3  ASN  23           HB3      ASN  23   0.487   4.186 -21.923
  176   HD21  ASN  23          HD22      ASN  23   2.601   7.102 -21.478
  177   HD22  ASN  23          HD21      ASN  23   1.585   8.190 -22.385
  178    H    ILE  24           H        ILE  24  -0.142   7.277 -18.879
  179    HA   ILE  24           HA       ILE  24  -2.925   7.090 -19.871
  180    HB   ILE  24           HB       ILE  24  -2.312   7.672 -16.956
  181   HG12  ILE  24          HG12      ILE  24  -3.328   5.082 -18.189
  182   HG13  ILE  24          HG13      ILE  24  -1.853   5.312 -17.252
  183   HG21  ILE  24          HG21      ILE  24  -4.315   8.762 -18.025
  184   HG22  ILE  24          HG22      ILE  24  -4.916   7.142 -18.409
  185   HG23  ILE  24          HG23      ILE  24  -4.735   7.667 -16.715
  186   HD11  ILE  24          HD11      ILE  24  -3.417   4.270 -15.811
  187   HD12  ILE  24          HD12      ILE  24  -3.323   5.961 -15.278
  188   HD13  ILE  24          HD13      ILE  24  -4.711   5.396 -16.237
  189    HA   PRO  25           HA       PRO  25  -0.478  10.900 -20.672
  190    HB2  PRO  25           HB2      PRO  25  -2.688  11.281 -22.695
  191    HB3  PRO  25           HB3      PRO  25  -0.928  11.580 -22.875
  192    HG2  PRO  25           HG2      PRO  25  -2.018   9.324 -23.892
  193    HG3  PRO  25           HG3      PRO  25  -0.473   9.229 -22.983
  194    HD2  PRO  25           HD2      PRO  25  -3.272   8.656 -21.980
  195    HD3  PRO  25           HD3      PRO  25  -1.789   7.684 -21.768
  196    H    LEU  26           H        LEU  26  -0.719  13.069 -20.233
  197    HA   LEU  26           HA       LEU  26  -2.288  14.044 -18.308
  198    HB2  LEU  26           HB2      LEU  26  -0.284  15.115 -19.327
  199    HB3  LEU  26           HB3      LEU  26  -1.234  15.541 -20.749
  200    HG   LEU  26           HG       LEU  26  -2.688  17.003 -19.277
  201   HD11  LEU  26          HD11      LEU  26  -2.188  15.872 -17.105
  202   HD12  LEU  26          HD12      LEU  26  -0.512  16.434 -17.216
  203   HD13  LEU  26          HD13      LEU  26  -1.845  17.603 -17.050
  204   HD21  LEU  26          HD21      LEU  26  -0.840  17.928 -20.615
  205   HD22  LEU  26          HD22      LEU  26  -1.038  18.804 -19.089
  206   HD23  LEU  26          HD23      LEU  26   0.291  17.636 -19.273
  207    H    LYS  27           H        LYS  27  -3.220  14.074 -21.758
  208    HA   LYS  27           HA       LYS  27  -5.511  15.769 -21.419
  209    HB2  LYS  27           HB2      LYS  27  -4.844  13.757 -23.615
  210    HB3  LYS  27           HB3      LYS  27  -6.080  14.998 -23.727
  211    HG2  LYS  27           HG2      LYS  27  -3.071  15.460 -23.491
  212    HG3  LYS  27           HG3      LYS  27  -4.054  15.659 -24.934
  213    HD2  LYS  27           HD2      LYS  27  -4.216  17.356 -22.403
  214    HD3  LYS  27           HD3      LYS  27  -3.483  17.812 -23.942
  215    HE2  LYS  27           HE2      LYS  27  -5.697  17.587 -25.068
  216    HE3  LYS  27           HE3      LYS  27  -6.441  17.187 -23.515
  217    HZ1  LYS  27           HZ1      LYS  27  -5.109  19.756 -24.155
  218    HZ2  LYS  27           HZ2      LYS  27  -6.715  19.520 -24.052
  219    HZ3  LYS  27           HZ3      LYS  27  -5.794  19.389 -22.716
  220    H    GLU  28           H        GLU  28  -5.096  12.474 -20.522
  221    HA   GLU  28           HA       GLU  28  -8.057  12.019 -20.555
  222    HB2  GLU  28           HB2      GLU  28  -5.838   9.972 -20.862
  223    HB3  GLU  28           HB3      GLU  28  -7.587   9.696 -20.962
  224    HG2  GLU  28           HG2      GLU  28  -7.652  11.169 -22.991
  225    HG3  GLU  28           HG3      GLU  28  -5.884  11.249 -22.948
  226    H    VAL  29           H        VAL  29  -5.104  11.966 -18.674
  227    HA   VAL  29           HA       VAL  29  -5.557  10.181 -16.720
  228    HB   VAL  29           HB       VAL  29  -3.592  11.817 -17.117
  229   HG11  VAL  29          HG11      VAL  29  -3.389  13.768 -15.783
  230   HG12  VAL  29          HG12      VAL  29  -4.879  13.929 -16.715
  231   HG13  VAL  29          HG13      VAL  29  -4.950  13.500 -14.990
  232   HG21  VAL  29          HG21      VAL  29  -4.401  11.081 -14.281
  233   HG22  VAL  29          HG22      VAL  29  -3.525  10.056 -15.439
  234   HG23  VAL  29          HG23      VAL  29  -2.767  11.528 -14.816
  235    H    LYS  30           H        LYS  30  -7.274  13.265 -16.934
  236    HA   LYS  30           HA       LYS  30  -8.297  13.454 -14.336
  237    HB2  LYS  30           HB2      LYS  30  -8.413  15.096 -16.362
  238    HB3  LYS  30           HB3      LYS  30  -9.890  14.243 -16.807
  239    HG2  LYS  30           HG2      LYS  30 -10.908  14.818 -14.623
  240    HG3  LYS  30           HG3      LYS  30  -9.379  15.530 -14.082
  241    HD2  LYS  30           HD2      LYS  30  -9.561  17.152 -16.042
  242    HD3  LYS  30           HD3      LYS  30 -11.208  16.535 -16.299
  243    HE2  LYS  30           HE2      LYS  30 -11.794  17.186 -13.959
  244    HE3  LYS  30           HE3      LYS  30 -10.140  17.756 -13.706
  245    HZ1  LYS  30           HZ1      LYS  30 -12.137  18.933 -15.539
  246    HZ2  LYS  30           HZ2      LYS  30 -11.467  19.619 -14.201
  247    HZ3  LYS  30           HZ3      LYS  30 -10.558  19.372 -15.531
  248    H    GLU  31           H        GLU  31  -9.319  11.321 -16.958
  249    HA   GLU  31           HA       GLU  31 -11.671  10.436 -15.319
  250    HB2  GLU  31           HB2      GLU  31 -11.234  10.407 -18.332
  251    HB3  GLU  31           HB3      GLU  31 -12.598   9.657 -17.491
  252    HG2  GLU  31           HG2      GLU  31 -13.230  11.886 -16.555
  253    HG3  GLU  31           HG3      GLU  31 -11.921  12.632 -17.473
  254    H    ARG  32           H        ARG  32  -8.916   9.346 -17.394
  255    HA   ARG  32           HA       ARG  32  -9.504   6.569 -17.070
  256    HB2  ARG  32           HB2      ARG  32  -7.004   8.087 -17.849
  257    HB3  ARG  32           HB3      ARG  32  -7.028   6.317 -17.717
  258    HG2  ARG  32           HG2      ARG  32  -8.875   6.220 -19.391
  259    HG3  ARG  32           HG3      ARG  32  -8.805   7.980 -19.547
  260    HD2  ARG  32           HD2      ARG  32  -7.576   7.008 -21.384
  261    HD3  ARG  32           HD3      ARG  32  -6.429   7.803 -20.288
  262    HE   ARG  32           HE       ARG  32  -6.751   4.995 -19.678
  263   HH11  ARG  32          HH21      ARG  32  -5.211   7.085 -22.128
  264   HH12  ARG  32          HH22      ARG  32  -3.792   6.091 -22.238
  265   HH21  ARG  32          HH11      ARG  32  -4.835   3.704 -19.865
  266   HH22  ARG  32          HH12      ARG  32  -3.478   4.307 -20.752
  267    H    ILE  33           H        ILE  33  -8.075   8.770 -14.743
  268    HA   ILE  33           HA       ILE  33  -6.699   6.897 -13.150
  269    HB   ILE  33           HB       ILE  33  -6.675   9.306 -12.781
  270   HG12  ILE  33          HG12      ILE  33  -6.865   9.389 -10.330
  271   HG13  ILE  33          HG13      ILE  33  -7.711   7.843 -10.319
  272   HG21  ILE  33          HG21      ILE  33  -9.072   9.833 -13.237
  273   HG22  ILE  33          HG22      ILE  33  -9.512   9.082 -11.685
  274   HG23  ILE  33          HG23      ILE  33  -8.494  10.526 -11.727
  275   HD11  ILE  33          HD11      ILE  33  -4.876   8.268 -11.378
  276   HD12  ILE  33          HD12      ILE  33  -5.281   7.687  -9.754
  277   HD13  ILE  33          HD13      ILE  33  -5.701   6.703 -11.163
  278    H    ALA  34           H        ALA  34 -10.223   7.358 -13.616
  279    HA   ALA  34           HA       ALA  34 -11.036   5.749 -11.388
  280    HB1  ALA  34           HB1      ALA  34 -12.541   6.420 -13.953
  281    HB2  ALA  34           HB2      ALA  34 -13.246   5.854 -12.427
  282    HB3  ALA  34           HB3      ALA  34 -12.477   7.450 -12.500
  283    H    THR  35           H        THR  35  -9.520   4.799 -14.313
  284    HA   THR  35           HA       THR  35 -10.471   2.008 -13.990
  285    HB   THR  35           HB       THR  35  -9.697   1.965 -16.496
  286    HG1  THR  35           HG1      THR  35  -8.909   4.178 -16.424
  287   HG21  THR  35          HG21      THR  35 -11.949   2.621 -17.241
  288   HG22  THR  35          HG22      THR  35 -12.033   1.658 -15.758
  289   HG23  THR  35          HG23      THR  35 -12.250   3.420 -15.681
  290    H    ALA  36           H        ALA  36  -8.142   3.708 -12.766
  291    HA   ALA  36           HA       ALA  36  -6.061   1.621 -13.225
  292    HB1  ALA  36           HB1      ALA  36  -4.341   3.393 -13.180
  293    HB2  ALA  36           HB2      ALA  36  -5.441   3.579 -14.562
  294    HB3  ALA  36           HB3      ALA  36  -5.605   4.639 -13.145
  295    H    VAL  37           H        VAL  37  -7.053   4.428 -11.148
  296    HA   VAL  37           HA       VAL  37  -6.645   2.770  -8.766
  297    HB   VAL  37           HB       VAL  37  -5.442   5.493  -8.743
  298   HG11  VAL  37          HG11      VAL  37  -4.236   4.551  -6.792
  299   HG12  VAL  37          HG12      VAL  37  -5.981   4.381  -6.602
  300   HG13  VAL  37          HG13      VAL  37  -5.002   2.977  -7.077
  301   HG21  VAL  37          HG21      VAL  37  -3.890   2.973  -9.414
  302   HG22  VAL  37          HG22      VAL  37  -4.105   4.396 -10.465
  303   HG23  VAL  37          HG23      VAL  37  -3.187   4.541  -8.974
  304    HA   PRO  38           HA       PRO  38 -10.491   5.418  -9.068
  305    HB2  PRO  38           HB2      PRO  38 -12.316   3.468  -8.323
  306    HB3  PRO  38           HB3      PRO  38 -11.808   3.798 -10.001
  307    HG2  PRO  38           HG2      PRO  38 -10.768   1.673  -8.115
  308    HG3  PRO  38           HG3      PRO  38 -11.217   1.501  -9.841
  309    HD2  PRO  38           HD2      PRO  38  -8.631   1.795  -9.058
  310    HD3  PRO  38           HD3      PRO  38  -9.235   2.565 -10.556
  311    H    ASP  39           H        ASP  39  -9.254   3.172  -6.593
  312    HA   ASP  39           HA       ASP  39 -10.543   4.606  -4.378
  313    HB2  ASP  39           HB2      ASP  39 -10.066   2.244  -4.081
  314    HB3  ASP  39           HB3      ASP  39  -8.353   2.500  -4.437
  315    H    LYS  40           H        LYS  40  -9.919   6.703  -5.091
  316    HA   LYS  40           HA       LYS  40  -7.443   7.657  -5.750
  317    HB2  LYS  40           HB2      LYS  40  -9.440   9.176  -4.028
  318    HB3  LYS  40           HB3      LYS  40  -8.215   9.875  -5.093
  319    HG2  LYS  40           HG2      LYS  40  -9.410   8.931  -7.073
  320    HG3  LYS  40           HG3      LYS  40 -10.642   8.260  -5.985
  321    HD2  LYS  40           HD2      LYS  40 -11.078  10.605  -5.138
  322    HD3  LYS  40           HD3      LYS  40 -10.026  11.201  -6.441
  323    HE2  LYS  40           HE2      LYS  40 -11.494  10.151  -8.125
  324    HE3  LYS  40           HE3      LYS  40 -12.494   9.452  -6.848
  325    HZ1  LYS  40           HZ1      LYS  40 -12.226  12.365  -7.405
  326    HZ2  LYS  40           HZ2      LYS  40 -13.523  11.427  -7.712
  327    HZ3  LYS  40           HZ3      LYS  40 -13.093  11.714  -6.172
  328    H    ASN  41           H        ASN  41  -8.433   6.773  -2.508
  329    HA   ASN  41           HA       ASN  41  -6.527   8.319  -1.027
  330    HB2  ASN  41           HB2      ASN  41  -8.585   7.346  -0.041
  331    HB3  ASN  41           HB3      ASN  41  -7.932   5.724  -0.307
  332   HD21  ASN  41          HD22      ASN  41  -7.083   4.862   1.584
  333   HD22  ASN  41          HD21      ASN  41  -6.270   5.788   2.817
  334    H    ASP  42           H        ASP  42  -6.148   5.356  -2.916
  335    HA   ASP  42           HA       ASP  42  -3.760   4.488  -1.467
  336    HB2  ASP  42           HB2      ASP  42  -5.247   2.963  -2.839
  337    HB3  ASP  42           HB3      ASP  42  -4.616   3.759  -4.290
  338    H    THR  43           H        THR  43  -1.522   4.714  -2.329
  339    HA   THR  43           HA       THR  43  -1.109   7.411  -3.105
  340    HB   THR  43           HB       THR  43   1.043   5.315  -3.326
  341    HG1  THR  43           HG1      THR  43   0.388   4.633  -1.485
  342   HG21  THR  43          HG21      THR  43   1.650   7.667  -3.737
  343   HG22  THR  43          HG22      THR  43   1.002   8.124  -2.148
  344   HG23  THR  43          HG23      THR  43   2.422   7.058  -2.264
  345    H    VAL  44           H        VAL  44  -0.591   8.363  -5.090
  346    HA   VAL  44           HA       VAL  44  -0.196   6.573  -7.442
  347    HB   VAL  44           HB       VAL  44  -1.856   9.121  -7.478
  348   HG11  VAL  44          HG11      VAL  44  -1.487   6.917  -9.556
  349   HG12  VAL  44          HG12      VAL  44  -2.534   8.341  -9.726
  350   HG13  VAL  44          HG13      VAL  44  -0.785   8.551  -9.638
  351   HG21  VAL  44          HG21      VAL  44  -3.830   7.608  -7.883
  352   HG22  VAL  44          HG22      VAL  44  -2.804   6.240  -7.390
  353   HG23  VAL  44          HG23      VAL  44  -3.190   7.543  -6.246
  354    H    LYS  45           H        LYS  45   1.596   7.123  -8.549
  355    HA   LYS  45           HA       LYS  45   2.935   9.727  -7.939
  356    HB2  LYS  45           HB2      LYS  45   3.947   6.874  -8.017
  357    HB3  LYS  45           HB3      LYS  45   5.036   8.233  -8.298
  358    HG2  LYS  45           HG2      LYS  45   4.372   9.263  -6.156
  359    HG3  LYS  45           HG3      LYS  45   3.255   7.924  -5.839
  360    HD2  LYS  45           HD2      LYS  45   5.103   6.336  -5.724
  361    HD3  LYS  45           HD3      LYS  45   6.267   7.605  -6.183
  362    HE2  LYS  45           HE2      LYS  45   5.732   8.883  -4.151
  363    HE3  LYS  45           HE3      LYS  45   4.491   7.703  -3.702
  364    HZ1  LYS  45           HZ1      LYS  45   7.379   7.079  -3.904
  365    HZ2  LYS  45           HZ2      LYS  45   6.570   7.347  -2.513
  366    HZ3  LYS  45           HZ3      LYS  45   6.186   6.044  -3.424
  367    H    VAL  46           H        VAL  46   2.281  10.856  -9.701
  368    HA   VAL  46           HA       VAL  46   2.393   9.663 -12.386
  369    HB   VAL  46           HB       VAL  46   1.664  11.908 -13.122
  370   HG11  VAL  46          HG11      VAL  46  -0.604  11.827 -12.177
  371   HG12  VAL  46          HG12      VAL  46  -0.030  10.198 -12.518
  372   HG13  VAL  46          HG13      VAL  46  -0.048  10.793 -10.848
  373   HG21  VAL  46          HG21      VAL  46   0.899  13.610 -11.553
  374   HG22  VAL  46          HG22      VAL  46   1.459  12.663 -10.173
  375   HG23  VAL  46          HG23      VAL  46   2.624  13.341 -11.329
  376    H    TYR  47           H        TYR  47   4.034  10.163 -13.963
  377    HA   TYR  47           HA       TYR  47   6.040  12.157 -13.305
  378    HB2  TYR  47           HB2      TYR  47   7.942  10.828 -13.428
  379    HB3  TYR  47           HB3      TYR  47   6.882   9.841 -12.445
  380    HD1  TYR  47           HD1      TYR  47   5.635   7.877 -13.603
  381    HD2  TYR  47           HD2      TYR  47   8.745  10.163 -15.528
  382    HE1  TYR  47           HE1      TYR  47   5.855   6.128 -15.350
  383    HE2  TYR  47           HE2      TYR  47   8.949   8.433 -17.270
  384    HH   TYR  47           HH       TYR  47   8.174   6.428 -18.073
  385    H    CYS  48           H        CYS  48   7.380  12.646 -15.308
  386    HA   CYS  48           HA       CYS  48   6.478  11.538 -17.856
  387    HB2  CYS  48           HB2      CYS  48   5.810  13.700 -18.811
  388    HB3  CYS  48           HB3      CYS  48   4.806  13.368 -17.391
  389    HG   CYS  48           HG       CYS  48   6.294  14.735 -15.719
  390    H    ASN  49           H        ASN  49   7.863  12.501 -19.637
  391    HA   ASN  49           HA       ASN  49  10.520  12.400 -19.288
  392    HB2  ASN  49           HB2      ASN  49   9.301  12.456 -21.463
  393    HB3  ASN  49           HB3      ASN  49   9.117  14.201 -21.289
  394   HD21  ASN  49          HD22      ASN  49  10.471  15.073 -22.872
  395   HD22  ASN  49          HD21      ASN  49  12.138  14.623 -23.085
  396    H    ALA  50           H        ALA  50   8.695  15.318 -18.454
  397    HA   ALA  50           HA       ALA  50  11.264  16.812 -18.091
  398    HB1  ALA  50           HB1      ALA  50  10.077  18.799 -18.886
  399    HB2  ALA  50           HB2      ALA  50   9.996  17.509 -20.097
  400    HB3  ALA  50           HB3      ALA  50   8.580  17.863 -19.078
  401    H    GLY  51           H        GLY  51   8.754  15.519 -16.286
  402    HA2  GLY  51           HA2      GLY  51   8.238  15.734 -14.078
  403    HA3  GLY  51           HA3      GLY  51   9.398  17.062 -13.937
  404    H    ARG  52           H        ARG  52   8.209  18.850 -15.891
  405    HA   ARG  52           HA       ARG  52   6.306  20.105 -14.287
  406    HB2  ARG  52           HB2      ARG  52   7.594  21.370 -15.950
  407    HB3  ARG  52           HB3      ARG  52   6.885  20.442 -17.273
  408    HG2  ARG  52           HG2      ARG  52   5.839  22.626 -17.204
  409    HG3  ARG  52           HG3      ARG  52   4.645  21.408 -16.779
  410    HD2  ARG  52           HD2      ARG  52   5.283  21.970 -14.283
  411    HD3  ARG  52           HD3      ARG  52   6.118  23.357 -14.952
  412    HE   ARG  52           HE       ARG  52   4.065  24.316 -15.617
  413   HH11  ARG  52          HH11      ARG  52   3.423  21.177 -14.017
  414   HH12  ARG  52          HH12      ARG  52   1.912  21.776 -13.313
  415   HH21  ARG  52          HH21      ARG  52   1.942  24.895 -14.740
  416   HH22  ARG  52          HH22      ARG  52   1.106  23.698 -13.766
  417    H    GLN  53           H        GLN  53   5.760  17.994 -17.134
  418    HA   GLN  53           HA       GLN  53   2.961  18.616 -17.222
  419    HB2  GLN  53           HB2      GLN  53   4.335  16.239 -18.508
  420    HB3  GLN  53           HB3      GLN  53   2.776  16.952 -18.919
  421    HG2  GLN  53           HG2      GLN  53   3.938  19.059 -19.595
  422    HG3  GLN  53           HG3      GLN  53   5.495  18.297 -19.253
  423   HE21  GLN  53          HE22      GLN  53   2.568  18.029 -21.336
  424   HE22  GLN  53          HE21      GLN  53   3.379  17.192 -22.635
  425    H    SER  54           H        SER  54   4.832  16.083 -15.477
  426    HA   SER  54           HA       SER  54   2.423  14.752 -14.587
  427    HB2  SER  54           HB2      SER  54   4.133  13.956 -12.764
  428    HB3  SER  54           HB3      SER  54   4.179  13.354 -14.418
  429    HG   SER  54           HG       SER  54   6.067  14.645 -13.062
  430    H    GLY  55           H        GLY  55   4.373  17.511 -13.487
  431    HA2  GLY  55           HA2      GLY  55   2.988  18.184 -11.134
  432    HA3  GLY  55           HA3      GLY  55   3.676  19.320 -12.322
  433    H    GLN  56           H        GLN  56   2.149  18.942 -14.587
  434    HA   GLN  56           HA       GLN  56  -0.318  20.255 -14.008
  435    HB2  GLN  56           HB2      GLN  56   0.440  18.702 -16.506
  436    HB3  GLN  56           HB3      GLN  56  -0.914  19.810 -16.344
  437    HG2  GLN  56           HG2      GLN  56   0.679  21.676 -15.894
  438    HG3  GLN  56           HG3      GLN  56   2.028  20.560 -16.153
  439   HE21  GLN  56          HE22      GLN  56  -0.697  22.224 -17.778
  440   HE22  GLN  56          HE21      GLN  56  -0.094  21.974 -19.395
  441    H    ALA  57           H        ALA  57   0.370  16.772 -14.755
  442    HA   ALA  57           HA       ALA  57  -2.354  15.966 -14.664
  443    HB1  ALA  57           HB1      ALA  57   0.105  14.373 -13.843
  444    HB2  ALA  57           HB2      ALA  57  -1.483  13.705 -14.246
  445    HB3  ALA  57           HB3      ALA  57  -0.529  14.517 -15.507
  446    H    LYS  58           H        LYS  58  -0.014  16.599 -12.091
  447    HA   LYS  58           HA       LYS  58  -1.699  15.467 -10.003
  448    HB2  LYS  58           HB2      LYS  58   0.804  15.778  -9.862
  449    HB3  LYS  58           HB3      LYS  58   0.549  17.506  -9.625
  450    HG2  LYS  58           HG2      LYS  58  -0.841  15.454  -7.863
  451    HG3  LYS  58           HG3      LYS  58   0.847  15.866  -7.576
  452    HD2  LYS  58           HD2      LYS  58   0.354  18.141  -7.062
  453    HD3  LYS  58           HD3      LYS  58  -1.289  18.018  -7.686
  454    HE2  LYS  58           HE2      LYS  58  -1.708  16.221  -5.902
  455    HE3  LYS  58           HE3      LYS  58  -0.173  16.715  -5.175
  456    HZ1  LYS  58           HZ1      LYS  58  -2.047  17.881  -4.190
  457    HZ2  LYS  58           HZ2      LYS  58  -1.126  18.975  -4.988
  458    HZ3  LYS  58           HZ3      LYS  58  -2.542  18.440  -5.642
  459    H    GLU  59           H        GLU  59  -1.230  18.783 -11.363
  460    HA   GLU  59           HA       GLU  59  -3.097  20.094  -9.675
  461    HB2  GLU  59           HB2      GLU  59  -2.298  20.645 -12.565
  462    HB3  GLU  59           HB3      GLU  59  -3.316  21.712 -11.607
  463    HG2  GLU  59           HG2      GLU  59  -1.546  22.146 -10.027
  464    HG3  GLU  59           HG3      GLU  59  -0.511  20.916 -10.732
  465    H    ILE  60           H        ILE  60  -3.634  18.374 -12.807
  466    HA   ILE  60           HA       ILE  60  -6.436  18.785 -12.988
  467    HB   ILE  60           HB       ILE  60  -4.582  16.580 -13.972
  468   HG12  ILE  60          HG12      ILE  60  -6.073  18.819 -15.416
  469   HG13  ILE  60          HG13      ILE  60  -4.361  18.836 -15.000
  470   HG21  ILE  60          HG21      ILE  60  -6.818  15.536 -13.709
  471   HG22  ILE  60          HG22      ILE  60  -7.523  16.864 -14.664
  472   HG23  ILE  60          HG23      ILE  60  -6.380  15.707 -15.389
  473   HD11  ILE  60          HD11      ILE  60  -5.761  17.117 -17.066
  474   HD12  ILE  60          HD12      ILE  60  -4.384  18.209 -17.269
  475   HD13  ILE  60          HD13      ILE  60  -4.179  16.659 -16.414
  476    H    LEU  61           H        LEU  61  -4.608  16.054 -11.477
  477    HA   LEU  61           HA       LEU  61  -7.009  14.773 -10.625
  478    HB2  LEU  61           HB2      LEU  61  -4.113  14.428  -9.792
  479    HB3  LEU  61           HB3      LEU  61  -5.417  13.404  -9.190
  480    HG   LEU  61           HG       LEU  61  -4.719  13.699 -12.152
  481   HD11  LEU  61          HD11      LEU  61  -4.048  11.459 -10.199
  482   HD12  LEU  61          HD12      LEU  61  -3.791  11.411 -11.955
  483   HD13  LEU  61          HD13      LEU  61  -2.900  12.578 -10.983
  484   HD21  LEU  61          HD21      LEU  61  -6.108  11.630 -12.390
  485   HD22  LEU  61          HD22      LEU  61  -6.658  11.861 -10.713
  486   HD23  LEU  61          HD23      LEU  61  -7.017  13.069 -11.973
  487    H    SER  62           H        SER  62  -5.054  17.297  -9.131
  488    HA   SER  62           HA       SER  62  -6.152  17.105  -6.513
  489    HB2  SER  62           HB2      SER  62  -5.198  19.586  -7.977
  490    HB3  SER  62           HB3      SER  62  -5.469  19.429  -6.234
  491    HG   SER  62           HG       SER  62  -3.621  17.942  -7.819
  492    H    GLU  63           H        GLU  63  -7.372  18.681  -9.505
  493    HA   GLU  63           HA       GLU  63  -9.645  19.865  -8.195
  494    HB2  GLU  63           HB2      GLU  63  -8.660  20.592 -10.390
  495    HB3  GLU  63           HB3      GLU  63  -9.323  19.130 -11.137
  496    HG2  GLU  63           HG2      GLU  63 -11.612  19.834 -10.497
  497    HG3  GLU  63           HG3      GLU  63 -10.959  21.266  -9.697
  498    H    MET  64           H        MET  64  -9.114  16.727  -9.921
  499    HA   MET  64           HA       MET  64 -11.900  16.048  -9.699
  500    HB2  MET  64           HB2      MET  64 -11.508  14.202 -10.943
  501    HB3  MET  64           HB3      MET  64 -10.240  15.281 -11.471
  502    HG2  MET  64           HG2      MET  64  -9.126  13.297 -11.307
  503    HG3  MET  64           HG3      MET  64  -8.739  14.043  -9.759
  504    HE1  MET  64           HE1      MET  64 -12.165  12.055 -10.719
  505    HE2  MET  64           HE2      MET  64 -10.825  11.403 -11.685
  506    HE3  MET  64           HE3      MET  64 -11.559  10.417 -10.405
  507    H    GLY  65           H        GLY  65  -9.340  15.766  -7.386
  508    HA2  GLY  65           HA2      GLY  65 -10.459  15.748  -5.155
  509    HA3  GLY  65           HA3      GLY  65 -11.229  14.234  -5.610
  510    H    TYR  66           H        TYR  66  -7.781  15.330  -5.986
  511    HA   TYR  66           HA       TYR  66  -6.668  12.894  -5.284
  512    HB2  TYR  66           HB2      TYR  66  -4.641  13.896  -5.274
  513    HB3  TYR  66           HB3      TYR  66  -5.522  15.043  -6.236
  514    HD1  TYR  66           HD2      TYR  66  -6.771  16.926  -4.407
  515    HD2  TYR  66           HD1      TYR  66  -3.066  14.773  -3.838
  516    HE1  TYR  66           HE2      TYR  66  -6.035  18.625  -2.781
  517    HE2  TYR  66           HE1      TYR  66  -2.361  16.426  -2.155
  518    HH   TYR  66           HH       TYR  66  -2.903  18.398  -1.026
  519    H    THR  67           H        THR  67  -5.552  12.124  -3.435
  520    HA   THR  67           HA       THR  67  -5.835  13.537  -0.863
  521    HB   THR  67           HB       THR  67  -6.167  11.072   0.087
  522    HG1  THR  67           HG1      THR  67  -7.520  10.989  -2.412
  523   HG21  THR  67          HG21      THR  67  -8.572  11.417   0.217
  524   HG22  THR  67          HG22      THR  67  -7.733  12.959   0.467
  525   HG23  THR  67          HG23      THR  67  -8.509  12.615  -1.095
  526    H    HIS  68           H        HIS  68  -4.344  10.735  -2.626
  527    HA   HIS  68           HA       HIS  68  -1.717  11.572  -1.507
  528    HB2  HIS  68           HB2      HIS  68  -2.794   8.730  -1.671
  529    HB3  HIS  68           HB3      HIS  68  -1.145   9.172  -1.230
  530    HD1  HIS  68           HD1      HIS  68  -4.080   8.136   0.506
  531    HD2  HIS  68           HD2      HIS  68  -1.236  11.203   0.987
  532    HE1  HIS  68           HE1      HIS  68  -4.230   8.878   2.941
  533    H    VAL  69           H        VAL  69  -2.737  12.353  -4.006
  534    HA   VAL  69           HA       VAL  69  -1.169  10.787  -5.984
  535    HB   VAL  69           HB       VAL  69  -2.753  13.357  -6.368
  536   HG11  VAL  69          HG11      VAL  69  -0.950  12.973  -8.050
  537   HG12  VAL  69          HG12      VAL  69  -1.672  11.398  -8.440
  538   HG13  VAL  69          HG13      VAL  69  -2.564  12.909  -8.738
  539   HG21  VAL  69          HG21      VAL  69  -4.327  11.515  -5.794
  540   HG22  VAL  69          HG22      VAL  69  -4.478  11.982  -7.487
  541   HG23  VAL  69          HG23      VAL  69  -3.606  10.503  -7.052
  542    H    GLU  70           H        GLU  70   0.917  11.491  -6.502
  543    HA   GLU  70           HA       GLU  70   1.782  14.213  -5.686
  544    HB2  GLU  70           HB2      GLU  70   3.165  11.563  -5.051
  545    HB3  GLU  70           HB3      GLU  70   3.961  13.124  -4.937
  546    HG2  GLU  70           HG2      GLU  70   1.559  12.220  -3.292
  547    HG3  GLU  70           HG3      GLU  70   3.228  12.290  -2.750
  548    H    ASN  71           H        ASN  71   3.424  15.045  -7.018
  549    HA   ASN  71           HA       ASN  71   3.891  13.671  -9.603
  550    HB2  ASN  71           HB2      ASN  71   3.548  16.110  -9.676
  551    HB3  ASN  71           HB3      ASN  71   4.875  16.348  -8.528
  552   HD21  ASN  71          HD22      ASN  71   5.678  17.766 -10.395
  553   HD22  ASN  71          HD21      ASN  71   6.450  16.992 -11.760
  554    H    ALA  72           H        ALA  72   5.413  12.154  -9.623
  555    HA   ALA  72           HA       ALA  72   7.202  11.685  -7.421
  556    HB1  ALA  72           HB1      ALA  72   6.264   9.927  -8.888
  557    HB2  ALA  72           HB2      ALA  72   7.158  10.592 -10.263
  558    HB3  ALA  72           HB3      ALA  72   8.039   9.887  -8.884
  559    H    GLY  73           H        GLY  73   7.494  13.398 -10.539
  560    HA2  GLY  73           HA2      GLY  73   9.449  15.097 -10.434
  561    HA3  GLY  73           HA3      GLY  73  10.436  13.636 -10.243
  562    H    GLY  74           H        GLY  74  11.394  14.406 -12.308
  563    HA2  GLY  74           HA2      GLY  74   9.786  13.836 -14.715
  564    HA3  GLY  74           HA3      GLY  74  11.432  14.471 -14.684
  565    H    LEU  75           H        LEU  75  10.572  12.248 -16.243
  566    HA   LEU  75           HA       LEU  75  11.129   9.672 -15.396
  567    HB2  LEU  75           HB2      LEU  75  10.363  10.218 -17.655
  568    HB3  LEU  75           HB3      LEU  75  11.803  11.183 -17.953
  569    HG   LEU  75           HG       LEU  75  13.218   9.204 -18.050
  570   HD11  LEU  75          HD11      LEU  75  11.796   7.686 -16.560
  571   HD12  LEU  75          HD12      LEU  75  10.722   7.463 -17.962
  572   HD13  LEU  75          HD13      LEU  75  12.406   6.970 -18.067
  573   HD21  LEU  75          HD21      LEU  75  10.771   9.055 -19.859
  574   HD22  LEU  75          HD22      LEU  75  12.181  10.111 -20.085
  575   HD23  LEU  75          HD23      LEU  75  12.370   8.357 -20.194
  576    H    LYS  76           H        LYS  76  13.430  12.252 -16.032
  577    HA   LYS  76           HA       LYS  76  15.858  10.740 -16.008
  578    HB2  LYS  76           HB2      LYS  76  15.253  13.671 -15.411
  579    HB3  LYS  76           HB3      LYS  76  16.871  13.023 -15.687
  580    HG2  LYS  76           HG2      LYS  76  16.414  12.498 -17.977
  581    HG3  LYS  76           HG3      LYS  76  14.672  12.734 -17.779
  582    HD2  LYS  76           HD2      LYS  76  15.011  15.146 -17.353
  583    HD3  LYS  76           HD3      LYS  76  16.755  14.934 -17.532
  584    HE2  LYS  76           HE2      LYS  76  15.796  15.861 -19.568
  585    HE3  LYS  76           HE3      LYS  76  16.483  14.267 -19.878
  586    HZ1  LYS  76           HZ1      LYS  76  13.572  14.740 -19.449
  587    HZ2  LYS  76           HZ2      LYS  76  14.292  14.644 -20.914
  588    HZ3  LYS  76           HZ3      LYS  76  14.275  13.349 -19.939
  589    H    ASP  77           H        ASP  77  13.698  11.383 -13.430
  590    HA   ASP  77           HA       ASP  77  15.850  11.219 -11.378
  591    HB2  ASP  77           HB2      ASP  77  14.793  13.436 -11.529
  592    HB3  ASP  77           HB3      ASP  77  13.206  12.704 -11.274
  593    H    ILE  78           H        ILE  78  12.563   9.952 -12.341
  594    HA   ILE  78           HA       ILE  78  12.436   8.295  -9.965
  595    HB   ILE  78           HB       ILE  78  11.016   7.941 -12.640
  596   HG12  ILE  78          HG12      ILE  78   8.984   8.569 -11.276
  597   HG13  ILE  78          HG13      ILE  78  10.050   9.044  -9.950
  598   HG21  ILE  78          HG21      ILE  78   9.531   6.396 -11.304
  599   HG22  ILE  78          HG22      ILE  78  11.165   5.785 -11.476
  600   HG23  ILE  78          HG23      ILE  78  10.656   6.533  -9.945
  601   HD11  ILE  78          HD11      ILE  78   9.139  10.898 -11.398
  602   HD12  ILE  78          HD12      ILE  78  10.887  10.907 -11.252
  603   HD13  ILE  78          HD13      ILE  78  10.112  10.256 -12.736
  604    H    ALA  79           H        ALA  79  14.502   7.453  -9.721
  605    HA   ALA  79           HA       ALA  79  15.858   6.018 -11.800
  606    HB1  ALA  79           HB1      ALA  79  16.447   6.195  -8.806
  607    HB2  ALA  79           HB2      ALA  79  17.589   5.692 -10.071
  608    HB3  ALA  79           HB3      ALA  79  17.000   7.361 -10.032
  609    H    MET  80           H        MET  80  13.292   4.895 -11.223
  610    HA   MET  80           HA       MET  80  13.697   2.266  -9.948
  611    HB2  MET  80           HB2      MET  80  11.411   3.446 -11.587
  612    HB3  MET  80           HB3      MET  80  11.412   1.807 -10.935
  613    HG2  MET  80           HG2      MET  80  11.569   2.659  -8.643
  614    HG3  MET  80           HG3      MET  80  11.680   4.313  -9.239
  615    HE1  MET  80           HE1      MET  80   7.819   1.736  -9.291
  616    HE2  MET  80           HE2      MET  80   9.197   1.317 -10.329
  617    HE3  MET  80           HE3      MET  80   9.358   1.235  -8.559
  618    HA   PRO  81           HA       PRO  81  15.060   0.156 -13.723
  619    HB2  PRO  81           HB2      PRO  81  12.863  -1.816 -13.074
  620    HB3  PRO  81           HB3      PRO  81  14.569  -2.140 -13.516
  621    HG2  PRO  81           HG2      PRO  81  13.765  -2.320 -10.933
  622    HG3  PRO  81           HG3      PRO  81  15.324  -1.529 -11.334
  623    HD2  PRO  81           HD2      PRO  81  12.662  -0.229 -10.720
  624    HD3  PRO  81           HD3      PRO  81  14.299   0.202 -10.135
  625    H    LYS  82           H        LYS  82  14.263  -0.265 -15.938
  626    HA   LYS  82           HA       LYS  82  11.538   0.768 -16.456
  627    HB2  LYS  82           HB2      LYS  82  14.145   1.624 -17.795
  628    HB3  LYS  82           HB3      LYS  82  12.527   2.075 -18.355
  629    HG2  LYS  82           HG2      LYS  82  12.058   3.157 -16.173
  630    HG3  LYS  82           HG3      LYS  82  13.673   2.709 -15.610
  631    HD2  LYS  82           HD2      LYS  82  14.705   4.145 -17.322
  632    HD3  LYS  82           HD3      LYS  82  13.091   4.590 -17.908
  633    HE2  LYS  82           HE2      LYS  82  13.893   6.344 -16.419
  634    HE3  LYS  82           HE3      LYS  82  12.518   5.518 -15.683
  635    HZ1  LYS  82           HZ1      LYS  82  15.367   5.167 -14.960
  636    HZ2  LYS  82           HZ2      LYS  82  14.178   5.848 -14.049
  637    HZ3  LYS  82           HZ3      LYS  82  14.160   4.241 -14.331
  638    H    VAL  83           H        VAL  83  10.689   0.250 -18.486
  639    HA   VAL  83           HA       VAL  83  11.743  -2.136 -19.889
  640    HB   VAL  83           HB       VAL  83   8.962  -1.818 -18.660
  641   HG11  VAL  83          HG11      VAL  83  10.027  -4.047 -20.455
  642   HG12  VAL  83          HG12      VAL  83   8.555  -4.167 -19.470
  643   HG13  VAL  83          HG13      VAL  83   8.620  -2.987 -20.759
  644   HG21  VAL  83          HG21      VAL  83   9.544  -3.894 -17.414
  645   HG22  VAL  83          HG22      VAL  83  11.185  -3.823 -18.087
  646   HG23  VAL  83          HG23      VAL  83  10.600  -2.552 -16.994
  647    H    LYS  84           H        LYS  84  10.091  -2.302 -21.987
  648    HA   LYS  84           HA       LYS  84   9.902   0.484 -23.059
  649    HB2  LYS  84           HB2      LYS  84  10.959  -1.974 -24.521
  650    HB3  LYS  84           HB3      LYS  84  10.827  -0.330 -25.155
  651    HG2  LYS  84           HG2      LYS  84  12.474   0.422 -23.409
  652    HG3  LYS  84           HG3      LYS  84  12.668  -1.256 -22.900
  653    HD2  LYS  84           HD2      LYS  84  13.460  -1.912 -25.110
  654    HD3  LYS  84           HD3      LYS  84  13.239  -0.274 -25.738
  655    HE2  LYS  84           HE2      LYS  84  15.011  -0.848 -23.328
  656    HE3  LYS  84           HE3      LYS  84  15.619  -1.058 -24.971
  657    HZ1  LYS  84           HZ1      LYS  84  15.290   1.227 -25.417
  658    HZ2  LYS  84           HZ2      LYS  84  14.467   1.508 -24.039
  659    HZ3  LYS  84           HZ3      LYS  84  16.073   1.157 -23.992
  660    H    GLY  85           H        GLY  85   8.232   0.857 -24.480
  661    HA2  GLY  85           HA2      GLY  85   5.859  -0.665 -24.420
  662    HA3  GLY  85           HA3      GLY  85   6.277   0.558 -25.633
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1  -2.529   1.811  -1.076
    2    H2   ALA   1           H2       ALA   1  -2.130   0.737   0.122
    3    H3   ALA   1           H3       ALA   1  -1.421   2.226   0.055
    4    HA   ALA   1           HA       ALA   1   0.117   0.599  -0.756
    5    HB1  ALA   1           HB1      ALA   1  -0.387  -0.725  -2.731
    6    HB2  ALA   1           HB2      ALA   1  -1.623  -1.030  -1.509
    7    HB3  ALA   1           HB3      ALA   1  -1.989   0.029  -2.889
    8    H    GLU   2           H        GLU   2   0.573   0.779  -3.596
    9    HA   GLU   2           HA       GLU   2   0.480   3.640  -4.225
   10    HB2  GLU   2           HB2      GLU   2   2.559   3.312  -2.895
   11    HB3  GLU   2           HB3      GLU   2   3.060   2.015  -3.984
   12    HG2  GLU   2           HG2      GLU   2   3.233   3.633  -5.843
   13    HG3  GLU   2           HG3      GLU   2   2.718   4.935  -4.764
   14    H    HIS   3           H        HIS   3   0.572   4.016  -6.431
   15    HA   HIS   3           HA       HIS   3   1.422   1.867  -8.218
   16    HB2  HIS   3           HB2      HIS   3  -1.234   1.983  -7.931
   17    HB3  HIS   3           HB3      HIS   3  -1.079   3.357  -9.025
   18    HD1  HIS   3           HD1      HIS   3  -0.104   2.643 -11.615
   19    HD2  HIS   3           HD2      HIS   3  -0.738  -0.449  -8.804
   20    HE1  HIS   3           HE1      HIS   3   0.091   0.460 -12.878
   21    H    TRP   4           H        TRP   4   1.561   2.817 -10.458
   22    HA   TRP   4           HA       TRP   4   2.775   5.530 -10.360
   23    HB2  TRP   4           HB2      TRP   4   3.854   3.112 -11.847
   24    HB3  TRP   4           HB3      TRP   4   4.709   4.598 -11.430
   25    HD1  TRP   4           HD1      TRP   4   5.323   4.857  -8.738
   26    HE1  TRP   4           HE1      TRP   4   5.613   3.173  -6.830
   27    HE3  TRP   4           HE3      TRP   4   3.376   0.730 -11.041
   28    HZ2  TRP   4           HZ2      TRP   4   5.216   0.330  -6.430
   29    HZ3  TRP   4           HZ3      TRP   4   3.323  -1.453  -9.868
   30    HH2  TRP   4           HH2      TRP   4   4.243  -1.667  -7.567
   31    H    ILE   5           H        ILE   5   2.305   6.755 -12.216
   32    HA   ILE   5           HA       ILE   5   0.938   5.425 -14.499
   33    HB   ILE   5           HB       ILE   5   0.010   7.965 -13.121
   34   HG12  ILE   5          HG12      ILE   5  -0.578   6.020 -11.697
   35   HG13  ILE   5          HG13      ILE   5  -1.950   6.902 -12.314
   36   HG21  ILE   5          HG21      ILE   5  -1.216   6.397 -15.426
   37   HG22  ILE   5          HG22      ILE   5  -1.939   7.822 -14.639
   38   HG23  ILE   5          HG23      ILE   5  -0.423   7.966 -15.537
   39   HD11  ILE   5          HD11      ILE   5  -2.530   5.162 -13.865
   40   HD12  ILE   5          HD12      ILE   5  -1.004   4.305 -13.594
   41   HD13  ILE   5          HD13      ILE   5  -2.216   4.401 -12.302
   42    H    ASP   6           H        ASP   6   1.662   6.210 -16.402
   43    HA   ASP   6           HA       ASP   6   3.754   8.333 -16.502
   44    HB2  ASP   6           HB2      ASP   6   4.398   6.422 -17.792
   45    HB3  ASP   6           HB3      ASP   6   2.758   6.136 -18.346
   46    H    VAL   7           H        VAL   7   2.900  10.351 -16.896
   47    HA   VAL   7           HA       VAL   7   0.191  10.454 -18.134
   48    HB   VAL   7           HB       VAL   7  -0.310  12.449 -16.860
   49   HG11  VAL   7          HG11      VAL   7  -0.611  11.419 -14.695
   50   HG12  VAL   7          HG12      VAL   7  -0.904  10.233 -15.970
   51   HG13  VAL   7          HG13      VAL   7   0.619  10.187 -15.047
   52   HG21  VAL   7          HG21      VAL   7   1.831  13.475 -16.446
   53   HG22  VAL   7          HG22      VAL   7   1.215  12.971 -14.871
   54   HG23  VAL   7          HG23      VAL   7   2.479  12.023 -15.647
   55    H    ARG   8           H        ARG   8   2.909  10.451 -19.466
   56    HA   ARG   8           HA       ARG   8   2.691  13.103 -20.807
   57    HB2  ARG   8           HB2      ARG   8   4.977  11.791 -19.942
   58    HB3  ARG   8           HB3      ARG   8   4.828  11.177 -21.586
   59    HG2  ARG   8           HG2      ARG   8   4.414  13.780 -22.143
   60    HG3  ARG   8           HG3      ARG   8   5.258  14.011 -20.614
   61    HD2  ARG   8           HD2      ARG   8   7.224  12.863 -21.477
   62    HD3  ARG   8           HD3      ARG   8   6.325  12.312 -22.901
   63    HE   ARG   8           HE       ARG   8   6.448  15.226 -22.504
   64   HH11  ARG   8          HH11      ARG   8   7.952  12.452 -24.171
   65   HH12  ARG   8          HH12      ARG   8   8.340  13.344 -25.607
   66   HH21  ARG   8          HH21      ARG   8   7.184  16.444 -24.306
   67   HH22  ARG   8          HH22      ARG   8   8.040  15.679 -25.596
   68    H    VAL   9           H        VAL   9   3.473  12.667 -23.260
   69    HA   VAL   9           HA       VAL   9   1.483  11.108 -24.636
   70    HB   VAL   9           HB       VAL   9   3.148  11.490 -26.565
   71   HG11  VAL   9          HG11      VAL   9   1.140  12.873 -26.227
   72   HG12  VAL   9          HG12      VAL   9   2.026  13.920 -25.098
   73   HG13  VAL   9          HG13      VAL   9   2.491  13.856 -26.812
   74   HG21  VAL   9          HG21      VAL   9   4.907  13.077 -26.356
   75   HG22  VAL   9          HG22      VAL   9   4.459  13.510 -24.703
   76   HG23  VAL   9          HG23      VAL   9   5.162  11.914 -25.043
   77    HA   PRO  10           HA       PRO  10   3.346   7.038 -24.503
   78    HB2  PRO  10           HB2      PRO  10   3.034   7.027 -27.506
   79    HB3  PRO  10           HB3      PRO  10   2.585   5.760 -26.322
   80    HG2  PRO  10           HG2      PRO  10   0.695   7.398 -27.381
   81    HG3  PRO  10           HG3      PRO  10   0.658   6.976 -25.641
   82    HD2  PRO  10           HD2      PRO  10   1.654   9.511 -26.940
   83    HD3  PRO  10           HD3      PRO  10   0.694   9.295 -25.445
   84    H    GLU  11           H        GLU  11   4.707   9.530 -26.572
   85    HA   GLU  11           HA       GLU  11   6.809   8.387 -27.851
   86    HB2  GLU  11           HB2      GLU  11   6.104  10.767 -27.955
   87    HB3  GLU  11           HB3      GLU  11   6.819  11.041 -26.362
   88    HG2  GLU  11           HG2      GLU  11   9.062  10.457 -27.273
   89    HG3  GLU  11           HG3      GLU  11   8.336  10.194 -28.862
   90    H    GLN  12           H        GLN  12   6.834   9.307 -24.339
   91    HA   GLN  12           HA       GLN  12   9.622   8.449 -24.121
   92    HB2  GLN  12           HB2      GLN  12   9.414   8.714 -21.731
   93    HB3  GLN  12           HB3      GLN  12   9.020  10.169 -22.628
   94    HG2  GLN  12           HG2      GLN  12   6.688  10.005 -22.082
   95    HG3  GLN  12           HG3      GLN  12   6.862   8.355 -21.487
   96   HE21  GLN  12          HE22      GLN  12   5.841   9.154 -19.398
   97   HE22  GLN  12          HE21      GLN  12   6.997   9.678 -18.210
   98    H    TYR  13           H        TYR  13   6.448   7.034 -23.244
   99    HA   TYR  13           HA       TYR  13   7.297   4.754 -21.926
  100    HB2  TYR  13           HB2      TYR  13   4.946   5.829 -22.357
  101    HB3  TYR  13           HB3      TYR  13   4.899   4.834 -23.791
  102    HD1  TYR  13           HD1      TYR  13   4.760   2.313 -23.560
  103    HD2  TYR  13           HD2      TYR  13   4.639   4.946 -20.148
  104    HE1  TYR  13           HE1      TYR  13   3.770   0.500 -22.193
  105    HE2  TYR  13           HE2      TYR  13   3.656   3.150 -18.775
  106    HH   TYR  13           HH       TYR  13   2.971   0.926 -18.704
  107    H    GLN  14           H        GLN  14   6.979   5.344 -25.421
  108    HA   GLN  14           HA       GLN  14   7.496   2.674 -26.296
  109    HB2  GLN  14           HB2      GLN  14   7.738   5.406 -27.625
  110    HB3  GLN  14           HB3      GLN  14   8.043   3.901 -28.490
  111    HG2  GLN  14           HG2      GLN  14   5.405   4.634 -27.150
  112    HG3  GLN  14           HG3      GLN  14   5.749   4.751 -28.867
  113   HE21  GLN  14          HE22      GLN  14   4.247   2.805 -26.611
  114   HE22  GLN  14          HE21      GLN  14   4.354   1.273 -27.437
  115    H    GLN  15           H        GLN  15   9.715   4.979 -24.917
  116    HA   GLN  15           HA       GLN  15  12.041   3.560 -26.133
  117    HB2  GLN  15           HB2      GLN  15  12.312   5.760 -24.078
  118    HB3  GLN  15           HB3      GLN  15  13.442   5.214 -25.303
  119    HG2  GLN  15           HG2      GLN  15  10.995   6.955 -25.603
  120    HG3  GLN  15           HG3      GLN  15  12.663   7.393 -25.900
  121   HE21  GLN  15          HE22      GLN  15   9.907   7.002 -27.518
  122   HE22  GLN  15          HE21      GLN  15  10.487   6.339 -29.041
  123    H    GLU  16           H        GLU  16  10.754   4.591 -22.907
  124    HA   GLU  16           HA       GLU  16  10.974   1.966 -21.805
  125    HB2  GLU  16           HB2      GLU  16  12.662   2.329 -20.151
  126    HB3  GLU  16           HB3      GLU  16  13.382   2.814 -21.691
  127    HG2  GLU  16           HG2      GLU  16  12.725   5.220 -21.077
  128    HG3  GLU  16           HG3      GLU  16  12.363   4.610 -19.453
  129    H    HIS  17           H        HIS  17  10.009   1.984 -19.589
  130    HA   HIS  17           HA       HIS  17   8.808   4.555 -18.777
  131    HB2  HIS  17           HB2      HIS  17   6.607   3.569 -18.497
  132    HB3  HIS  17           HB3      HIS  17   7.109   3.474 -20.177
  133    HD1  HIS  17           HD1      HIS  17   6.669   1.157 -17.104
  134    HD2  HIS  17           HD2      HIS  17   7.206   1.064 -21.283
  135    HE1  HIS  17           HE1      HIS  17   6.199  -1.242 -17.843
  136    H    VAL  18           H        VAL  18   8.156   4.562 -16.580
  137    HA   VAL  18           HA       VAL  18   9.916   3.225 -14.769
  138    HB   VAL  18           HB       VAL  18   7.361   4.856 -14.549
  139   HG11  VAL  18          HG11      VAL  18   7.738   5.027 -12.101
  140   HG12  VAL  18          HG12      VAL  18   7.322   3.380 -12.569
  141   HG13  VAL  18          HG13      VAL  18   9.014   3.795 -12.210
  142   HG21  VAL  18          HG21      VAL  18  10.259   5.427 -13.797
  143   HG22  VAL  18          HG22      VAL  18   9.407   6.038 -15.227
  144   HG23  VAL  18          HG23      VAL  18   8.888   6.549 -13.625
  145    H    GLN  19           H        GLN  19   9.656   1.389 -13.558
  146    HA   GLN  19           HA       GLN  19   8.326  -0.803 -14.519
  147    HB2  GLN  19           HB2      GLN  19  10.107  -0.935 -12.924
  148    HB3  GLN  19           HB3      GLN  19   9.194  -0.088 -11.686
  149    HG2  GLN  19           HG2      GLN  19   7.831  -2.545 -12.648
  150    HG3  GLN  19           HG3      GLN  19   9.445  -2.851 -12.041
  151   HE21  GLN  19          HE22      GLN  19   6.763  -0.588 -10.900
  152   HE22  GLN  19          HE21      GLN  19   6.761  -1.239  -9.283
  153    H    GLY  20           H        GLY  20   6.231  -1.327 -14.756
  154    HA2  GLY  20           HA2      GLY  20   4.060  -1.747 -14.215
  155    HA3  GLY  20           HA3      GLY  20   4.351  -1.103 -12.596
  156    H    ALA  21           H        ALA  21   5.255   1.327 -14.821
  157    HA   ALA  21           HA       ALA  21   2.984   2.952 -14.204
  158    HB1  ALA  21           HB1      ALA  21   5.188   3.910 -14.721
  159    HB2  ALA  21           HB2      ALA  21   5.083   3.291 -16.389
  160    HB3  ALA  21           HB3      ALA  21   3.949   4.535 -15.830
  161    H    ILE  22           H        ILE  22   1.394   3.781 -15.627
  162    HA   ILE  22           HA       ILE  22   0.677   2.091 -17.980
  163    HB   ILE  22           HB       ILE  22  -1.261   3.504 -16.094
  164   HG12  ILE  22          HG12      ILE  22  -0.410   0.582 -15.958
  165   HG13  ILE  22          HG13      ILE  22  -0.131   1.821 -14.729
  166   HG21  ILE  22          HG21      ILE  22  -2.004   3.004 -18.443
  167   HG22  ILE  22          HG22      ILE  22  -1.721   1.278 -18.131
  168   HG23  ILE  22          HG23      ILE  22  -2.963   2.177 -17.230
  169   HD11  ILE  22          HD11      ILE  22  -1.974   0.455 -14.012
  170   HD12  ILE  22          HD12      ILE  22  -2.602   2.062 -14.427
  171   HD13  ILE  22          HD13      ILE  22  -2.835   0.683 -15.532
  172    H    ASN  23           H        ASN  23   0.509   3.370 -19.848
  173    HA   ASN  23           HA       ASN  23   1.026   6.232 -19.679
  174    HB2  ASN  23           HB2      ASN  23   1.873   5.010 -21.602
  175    HB3  ASN  23           HB3      ASN  23   0.236   4.477 -22.034
  176   HD21  ASN  23          HD22      ASN  23   2.206   7.451 -21.476
  177   HD22  ASN  23          HD21      ASN  23   1.231   8.519 -22.454
  178    H    ILE  24           H        ILE  24  -0.473   7.590 -18.982
  179    HA   ILE  24           HA       ILE  24  -3.215   7.523 -20.100
  180    HB   ILE  24           HB       ILE  24  -2.643   7.962 -17.139
  181   HG12  ILE  24          HG12      ILE  24  -3.809   5.508 -18.529
  182   HG13  ILE  24          HG13      ILE  24  -2.330   5.587 -17.568
  183   HG21  ILE  24          HG21      ILE  24  -5.253   7.600 -18.644
  184   HG22  ILE  24          HG22      ILE  24  -5.057   8.112 -16.945
  185   HG23  ILE  24          HG23      ILE  24  -4.584   9.190 -18.257
  186   HD11  ILE  24          HD11      ILE  24  -3.959   4.568 -16.193
  187   HD12  ILE  24          HD12      ILE  24  -3.767   6.221 -15.569
  188   HD13  ILE  24          HD13      ILE  24  -5.180   5.795 -16.562
  189    HA   PRO  25           HA       PRO  25  -0.555  11.218 -20.733
  190    HB2  PRO  25           HB2      PRO  25  -2.677  11.751 -22.821
  191    HB3  PRO  25           HB3      PRO  25  -0.900  11.968 -22.939
  192    HG2  PRO  25           HG2      PRO  25  -2.054   9.780 -24.028
  193    HG3  PRO  25           HG3      PRO  25  -0.553   9.597 -23.060
  194    HD2  PRO  25           HD2      PRO  25  -3.411   9.126 -22.181
  195    HD3  PRO  25           HD3      PRO  25  -1.972   8.103 -21.924
  196    H    LEU  26           H        LEU  26  -0.636  13.354 -20.187
  197    HA   LEU  26           HA       LEU  26  -2.259  14.410 -18.346
  198    HB2  LEU  26           HB2      LEU  26  -0.083  15.305 -19.097
  199    HB3  LEU  26           HB3      LEU  26  -0.811  15.859 -20.602
  200    HG   LEU  26           HG       LEU  26  -2.229  17.471 -19.298
  201   HD11  LEU  26          HD11      LEU  26  -1.625  17.934 -16.943
  202   HD12  LEU  26          HD12      LEU  26  -2.247  16.283 -17.111
  203   HD13  LEU  26          HD13      LEU  26  -0.498  16.564 -16.960
  204   HD21  LEU  26          HD21      LEU  26  -0.401  19.029 -18.779
  205   HD22  LEU  26          HD22      LEU  26   0.771  17.694 -18.797
  206   HD23  LEU  26          HD23      LEU  26  -0.075  18.169 -20.289
  207    H    LYS  27           H        LYS  27  -2.875  14.669 -21.861
  208    HA   LYS  27           HA       LYS  27  -5.006  16.559 -21.708
  209    HB2  LYS  27           HB2      LYS  27  -4.396  14.411 -23.793
  210    HB3  LYS  27           HB3      LYS  27  -5.598  15.691 -23.986
  211    HG2  LYS  27           HG2      LYS  27  -3.816  17.409 -23.710
  212    HG3  LYS  27           HG3      LYS  27  -2.605  16.112 -23.622
  213    HD2  LYS  27           HD2      LYS  27  -3.220  15.363 -25.905
  214    HD3  LYS  27           HD3      LYS  27  -4.501  16.575 -25.966
  215    HE2  LYS  27           HE2      LYS  27  -2.675  17.430 -27.234
  216    HE3  LYS  27           HE3      LYS  27  -2.804  18.389 -25.759
  217    HZ1  LYS  27           HZ1      LYS  27  -0.930  17.130 -24.860
  218    HZ2  LYS  27           HZ2      LYS  27  -0.839  16.213 -26.217
  219    HZ3  LYS  27           HZ3      LYS  27  -0.516  17.806 -26.281
  220    H    GLU  28           H        GLU  28  -4.988  13.162 -20.883
  221    HA   GLU  28           HA       GLU  28  -7.975  13.072 -20.981
  222    HB2  GLU  28           HB2      GLU  28  -5.966  10.891 -21.683
  223    HB3  GLU  28           HB3      GLU  28  -7.727  10.727 -21.648
  224    HG2  GLU  28           HG2      GLU  28  -7.908  12.469 -23.434
  225    HG3  GLU  28           HG3      GLU  28  -6.143  12.542 -23.518
  226    H    VAL  29           H        VAL  29  -5.279  12.921 -18.936
  227    HA   VAL  29           HA       VAL  29  -5.656  10.821 -17.307
  228    HB   VAL  29           HB       VAL  29  -3.837  12.631 -17.261
  229   HG11  VAL  29          HG11      VAL  29  -5.294  14.596 -16.822
  230   HG12  VAL  29          HG12      VAL  29  -5.613  13.961 -15.186
  231   HG13  VAL  29          HG13      VAL  29  -3.969  14.411 -15.667
  232   HG21  VAL  29          HG21      VAL  29  -4.878  11.500 -14.649
  233   HG22  VAL  29          HG22      VAL  29  -3.784  10.707 -15.799
  234   HG23  VAL  29          HG23      VAL  29  -3.246  12.150 -14.927
  235    H    LYS  30           H        LYS  30  -7.639  13.793 -17.111
  236    HA   LYS  30           HA       LYS  30  -9.038  13.283 -14.733
  237    HB2  LYS  30           HB2      LYS  30  -9.975  14.647 -17.265
  238    HB3  LYS  30           HB3      LYS  30 -10.879  14.609 -15.741
  239    HG2  LYS  30           HG2      LYS  30  -8.930  15.636 -14.559
  240    HG3  LYS  30           HG3      LYS  30  -8.070  15.716 -16.108
  241    HD2  LYS  30           HD2      LYS  30  -8.963  17.858 -15.712
  242    HD3  LYS  30           HD3      LYS  30  -9.912  17.115 -17.015
  243    HE2  LYS  30           HE2      LYS  30 -11.702  16.556 -15.365
  244    HE3  LYS  30           HE3      LYS  30 -10.738  17.285 -14.076
  245    HZ1  LYS  30           HZ1      LYS  30 -12.419  18.808 -14.901
  246    HZ2  LYS  30           HZ2      LYS  30 -10.944  19.418 -15.223
  247    HZ3  LYS  30           HZ3      LYS  30 -11.831  18.740 -16.417
  248    H    GLU  31           H        GLU  31  -9.576  11.922 -17.993
  249    HA   GLU  31           HA       GLU  31 -12.233  10.896 -17.241
  250    HB2  GLU  31           HB2      GLU  31 -10.652  10.788 -19.852
  251    HB3  GLU  31           HB3      GLU  31 -12.329  10.287 -19.654
  252    HG2  GLU  31           HG2      GLU  31 -11.262  13.125 -19.322
  253    HG3  GLU  31           HG3      GLU  31 -12.157  12.499 -20.696
  254    H    ARG  32           H        ARG  32  -9.089   9.791 -16.866
  255    HA   ARG  32           HA       ARG  32  -9.835   6.911 -17.306
  256    HB2  ARG  32           HB2      ARG  32  -7.303   8.454 -17.947
  257    HB3  ARG  32           HB3      ARG  32  -7.449   6.688 -18.066
  258    HG2  ARG  32           HG2      ARG  32  -9.145   6.921 -19.827
  259    HG3  ARG  32           HG3      ARG  32  -9.095   8.689 -19.691
  260    HD2  ARG  32           HD2      ARG  32  -6.755   8.753 -20.354
  261    HD3  ARG  32           HD3      ARG  32  -6.676   6.986 -20.420
  262    HE   ARG  32           HE       ARG  32  -7.761   8.799 -22.428
  263   HH11  ARG  32          HH11      ARG  32  -7.931   5.413 -21.302
  264   HH12  ARG  32          HH12      ARG  32  -8.428   4.821 -22.843
  265   HH21  ARG  32          HH21      ARG  32  -8.322   8.066 -24.339
  266   HH22  ARG  32          HH22      ARG  32  -8.692   6.381 -24.664
  267    H    ILE  33           H        ILE  33  -8.084   9.237 -15.219
  268    HA   ILE  33           HA       ILE  33  -6.674   7.348 -13.696
  269    HB   ILE  33           HB       ILE  33  -6.388   9.826 -13.680
  270   HG12  ILE  33          HG12      ILE  33  -5.928   9.987 -11.191
  271   HG13  ILE  33          HG13      ILE  33  -6.640   8.392 -11.016
  272   HG21  ILE  33          HG21      ILE  33  -7.778  11.262 -12.315
  273   HG22  ILE  33          HG22      ILE  33  -8.816  10.445 -13.468
  274   HG23  ILE  33          HG23      ILE  33  -8.765   9.904 -11.778
  275   HD11  ILE  33          HD11      ILE  33  -4.230   9.062 -12.760
  276   HD12  ILE  33          HD12      ILE  33  -4.188   8.303 -11.157
  277   HD13  ILE  33          HD13      ILE  33  -4.906   7.433 -12.508
  278    H    ALA  34           H        ALA  34 -10.112   8.334 -13.469
  279    HA   ALA  34           HA       ALA  34 -10.663   7.164 -10.968
  280    HB1  ALA  34           HB1      ALA  34 -13.021   7.227 -11.697
  281    HB2  ALA  34           HB2      ALA  34 -12.183   8.733 -12.115
  282    HB3  ALA  34           HB3      ALA  34 -12.512   7.516 -13.374
  283    H    THR  35           H        THR  35 -10.728   5.682 -14.264
  284    HA   THR  35           HA       THR  35 -11.609   3.113 -13.275
  285    HB   THR  35           HB       THR  35 -10.624   2.534 -15.707
  286    HG1  THR  35           HG1      THR  35  -9.706   4.656 -16.004
  287   HG21  THR  35          HG21      THR  35 -13.127   4.214 -15.222
  288   HG22  THR  35          HG22      THR  35 -12.805   3.214 -16.659
  289   HG23  THR  35          HG23      THR  35 -13.002   2.447 -15.075
  290    H    ALA  36           H        ALA  36  -8.412   4.631 -13.890
  291    HA   ALA  36           HA       ALA  36  -6.930   2.188 -13.636
  292    HB1  ALA  36           HB1      ALA  36  -4.982   3.675 -13.466
  293    HB2  ALA  36           HB2      ALA  36  -6.067   4.204 -14.768
  294    HB3  ALA  36           HB3      ALA  36  -6.042   5.077 -13.218
  295    H    VAL  37           H        VAL  37  -7.815   4.757 -11.289
  296    HA   VAL  37           HA       VAL  37  -7.082   3.013  -9.021
  297    HB   VAL  37           HB       VAL  37  -6.230   5.838  -9.013
  298   HG11  VAL  37          HG11      VAL  37  -5.298   3.378  -7.484
  299   HG12  VAL  37          HG12      VAL  37  -4.771   5.049  -7.206
  300   HG13  VAL  37          HG13      VAL  37  -6.444   4.593  -6.881
  301   HG21  VAL  37          HG21      VAL  37  -4.487   3.519  -9.928
  302   HG22  VAL  37          HG22      VAL  37  -4.937   4.953 -10.887
  303   HG23  VAL  37          HG23      VAL  37  -3.895   5.130  -9.486
  304    HA   PRO  38           HA       PRO  38 -11.307   4.871  -8.655
  305    HB2  PRO  38           HB2      PRO  38 -11.623   2.367  -7.005
  306    HB3  PRO  38           HB3      PRO  38 -12.765   3.106  -8.168
  307    HG2  PRO  38           HG2      PRO  38 -11.303   0.917  -8.850
  308    HG3  PRO  38           HG3      PRO  38 -11.548   2.248 -10.025
  309    HD2  PRO  38           HD2      PRO  38  -9.133   1.698  -8.287
  310    HD3  PRO  38           HD3      PRO  38  -9.212   2.170 -10.011
  311    H    ASP  39           H        ASP  39  -9.211   3.391  -6.143
  312    HA   ASP  39           HA       ASP  39 -10.379   4.967  -3.958
  313    HB2  ASP  39           HB2      ASP  39  -9.535   2.723  -3.508
  314    HB3  ASP  39           HB3      ASP  39  -7.930   3.167  -4.092
  315    H    LYS  40           H        LYS  40 -10.145   7.090  -4.466
  316    HA   LYS  40           HA       LYS  40  -7.771   8.176  -5.575
  317    HB2  LYS  40           HB2      LYS  40  -9.904   9.725  -4.084
  318    HB3  LYS  40           HB3      LYS  40  -8.803  10.294  -5.360
  319    HG2  LYS  40           HG2      LYS  40  -9.948   8.609  -6.912
  320    HG3  LYS  40           HG3      LYS  40 -11.188   8.447  -5.670
  321    HD2  LYS  40           HD2      LYS  40 -10.415  11.042  -7.073
  322    HD3  LYS  40           HD3      LYS  40 -11.819  10.033  -7.447
  323    HE2  LYS  40           HE2      LYS  40 -12.632  10.392  -5.082
  324    HE3  LYS  40           HE3      LYS  40 -11.289  11.517  -4.833
  325    HZ1  LYS  40           HZ1      LYS  40 -12.199  12.866  -6.669
  326    HZ2  LYS  40           HZ2      LYS  40 -13.465  11.836  -6.821
  327    HZ3  LYS  40           HZ3      LYS  40 -13.287  12.699  -5.452
  328    H    ASN  41           H        ASN  41  -8.064   6.994  -2.493
  329    HA   ASN  41           HA       ASN  41  -6.123   8.933  -1.353
  330    HB2  ASN  41           HB2      ASN  41  -7.292   8.778   0.519
  331    HB3  ASN  41           HB3      ASN  41  -8.432   7.673  -0.220
  332   HD21  ASN  41          HD22      ASN  41  -7.753   5.276  -0.234
  333   HD22  ASN  41          HD21      ASN  41  -6.941   4.708   1.216
  334    H    ASP  42           H        ASP  42  -6.175   6.017  -3.097
  335    HA   ASP  42           HA       ASP  42  -3.913   4.749  -1.777
  336    HB2  ASP  42           HB2      ASP  42  -5.532   3.629  -3.398
  337    HB3  ASP  42           HB3      ASP  42  -4.740   4.538  -4.695
  338    H    THR  43           H        THR  43  -1.635   4.878  -2.576
  339    HA   THR  43           HA       THR  43  -1.001   7.627  -3.198
  340    HB   THR  43           HB       THR  43   1.004   5.364  -3.207
  341    HG1  THR  43           HG1      THR  43   0.074   4.951  -1.366
  342   HG21  THR  43          HG21      THR  43   1.831   7.610  -3.802
  343   HG22  THR  43          HG22      THR  43   1.170   8.263  -2.288
  344   HG23  THR  43          HG23      THR  43   2.489   7.070  -2.251
  345    H    VAL  44           H        VAL  44  -0.501   8.527  -5.185
  346    HA   VAL  44           HA       VAL  44  -0.209   6.708  -7.544
  347    HB   VAL  44           HB       VAL  44  -2.099   9.053  -7.204
  348   HG11  VAL  44          HG11      VAL  44  -2.710   8.795  -9.575
  349   HG12  VAL  44          HG12      VAL  44  -1.029   9.276  -9.435
  350   HG13  VAL  44          HG13      VAL  44  -1.431   7.580  -9.798
  351   HG21  VAL  44          HG21      VAL  44  -2.533   6.140  -7.931
  352   HG22  VAL  44          HG22      VAL  44  -3.053   6.961  -6.450
  353   HG23  VAL  44          HG23      VAL  44  -3.793   7.397  -7.992
  354    H    LYS  45           H        LYS  45   1.896   6.922  -7.805
  355    HA   LYS  45           HA       LYS  45   3.207   9.570  -7.815
  356    HB2  LYS  45           HB2      LYS  45   4.052   6.719  -8.440
  357    HB3  LYS  45           HB3      LYS  45   5.078   8.096  -8.868
  358    HG2  LYS  45           HG2      LYS  45   5.301   8.801  -6.586
  359    HG3  LYS  45           HG3      LYS  45   4.052   7.669  -6.028
  360    HD2  LYS  45           HD2      LYS  45   5.405   5.763  -6.539
  361    HD3  LYS  45           HD3      LYS  45   6.648   6.757  -7.339
  362    HE2  LYS  45           HE2      LYS  45   7.221   7.835  -5.220
  363    HE3  LYS  45           HE3      LYS  45   5.880   7.018  -4.403
  364    HZ1  LYS  45           HZ1      LYS  45   8.236   5.647  -5.559
  365    HZ2  LYS  45           HZ2      LYS  45   7.938   5.878  -3.967
  366    HZ3  LYS  45           HZ3      LYS  45   6.946   4.907  -4.842
  367    H    VAL  46           H        VAL  46   3.346  10.816  -9.586
  368    HA   VAL  46           HA       VAL  46   2.843   9.601 -12.259
  369    HB   VAL  46           HB       VAL  46   2.045  11.827 -13.001
  370   HG11  VAL  46          HG11      VAL  46   0.476  10.007 -12.483
  371   HG12  VAL  46          HG12      VAL  46   0.358  10.566 -10.802
  372   HG13  VAL  46          HG13      VAL  46  -0.233  11.586 -12.130
  373   HG21  VAL  46          HG21      VAL  46   1.165  13.466 -11.419
  374   HG22  VAL  46          HG22      VAL  46   1.758  12.520 -10.043
  375   HG23  VAL  46          HG23      VAL  46   2.898  13.278 -11.175
  376    H    TYR  47           H        TYR  47   4.281  10.276 -13.933
  377    HA   TYR  47           HA       TYR  47   6.435  12.103 -13.288
  378    HB2  TYR  47           HB2      TYR  47   8.233  10.628 -13.669
  379    HB3  TYR  47           HB3      TYR  47   7.195   9.717 -12.590
  380    HD1  TYR  47           HD1      TYR  47   5.638   7.917 -13.642
  381    HD2  TYR  47           HD2      TYR  47   8.723   9.944 -15.873
  382    HE1  TYR  47           HE1      TYR  47   5.483   6.209 -15.423
  383    HE2  TYR  47           HE2      TYR  47   8.576   8.231 -17.647
  384    HH   TYR  47           HH       TYR  47   7.476   6.338 -18.404
  385    H    CYS  48           H        CYS  48   7.684  12.552 -15.336
  386    HA   CYS  48           HA       CYS  48   6.492  11.904 -17.928
  387    HB2  CYS  48           HB2      CYS  48   5.990  14.477 -16.423
  388    HB3  CYS  48           HB3      CYS  48   6.286  14.604 -18.157
  389    HG   CYS  48           HG       CYS  48   4.219  12.463 -16.782
  390    H    ASN  49           H        ASN  49   7.609  13.594 -19.555
  391    HA   ASN  49           HA       ASN  49  10.491  13.530 -19.272
  392    HB2  ASN  49           HB2      ASN  49   9.454  13.641 -21.508
  393    HB3  ASN  49           HB3      ASN  49   8.627  15.147 -21.076
  394   HD21  ASN  49          HD22      ASN  49  11.932  13.723 -21.496
  395   HD22  ASN  49          HD21      ASN  49  12.691  15.239 -21.891
  396    H    ALA  50           H        ALA  50  11.758  15.023 -18.257
  397    HA   ALA  50           HA       ALA  50  12.434  16.590 -16.858
  398    HB1  ALA  50           HB1      ALA  50  12.216  17.901 -18.931
  399    HB2  ALA  50           HB2      ALA  50  10.587  18.415 -18.434
  400    HB3  ALA  50           HB3      ALA  50  12.006  18.901 -17.484
  401    H    GLY  51           H        GLY  51   9.306  15.557 -16.364
  402    HA2  GLY  51           HA2      GLY  51   8.205  15.390 -14.357
  403    HA3  GLY  51           HA3      GLY  51   9.360  16.502 -13.618
  404    H    ARG  52           H        ARG  52   8.419  18.282 -16.211
  405    HA   ARG  52           HA       ARG  52   6.687  20.011 -14.734
  406    HB2  ARG  52           HB2      ARG  52   7.986  20.948 -16.510
  407    HB3  ARG  52           HB3      ARG  52   7.332  19.811 -17.702
  408    HG2  ARG  52           HG2      ARG  52   5.104  20.796 -17.503
  409    HG3  ARG  52           HG3      ARG  52   5.649  21.886 -16.215
  410    HD2  ARG  52           HD2      ARG  52   6.995  23.126 -17.733
  411    HD3  ARG  52           HD3      ARG  52   6.851  21.885 -19.002
  412    HE   ARG  52           HE       ARG  52   4.245  22.535 -18.529
  413   HH11  ARG  52          HH11      ARG  52   7.073  24.491 -19.437
  414   HH12  ARG  52          HH12      ARG  52   6.154  25.677 -20.288
  415   HH21  ARG  52          HH21      ARG  52   3.031  24.099 -19.637
  416   HH22  ARG  52          HH22      ARG  52   3.789  25.445 -20.406
  417    H    GLN  53           H        GLN  53   5.937  17.817 -17.495
  418    HA   GLN  53           HA       GLN  53   3.192  18.426 -17.442
  419    HB2  GLN  53           HB2      GLN  53   4.631  16.013 -18.606
  420    HB3  GLN  53           HB3      GLN  53   2.943  16.418 -18.923
  421    HG2  GLN  53           HG2      GLN  53   3.691  18.599 -19.892
  422    HG3  GLN  53           HG3      GLN  53   5.373  18.149 -19.588
  423   HE21  GLN  53          HE22      GLN  53   2.449  17.250 -21.479
  424   HE22  GLN  53          HE21      GLN  53   3.329  16.427 -22.739
  425    H    SER  54           H        SER  54   4.971  15.958 -15.530
  426    HA   SER  54           HA       SER  54   2.516  14.785 -14.520
  427    HB2  SER  54           HB2      SER  54   4.231  13.828 -12.833
  428    HB3  SER  54           HB3      SER  54   4.277  13.324 -14.524
  429    HG   SER  54           HG       SER  54   6.115  14.686 -13.045
  430    H    GLY  55           H        GLY  55   4.743  17.405 -13.519
  431    HA2  GLY  55           HA2      GLY  55   3.610  18.081 -11.025
  432    HA3  GLY  55           HA3      GLY  55   4.333  19.189 -12.219
  433    H    GLN  56           H        GLN  56   2.687  19.087 -14.357
  434    HA   GLN  56           HA       GLN  56   0.368  20.577 -13.658
  435    HB2  GLN  56           HB2      GLN  56   0.977  19.032 -16.208
  436    HB3  GLN  56           HB3      GLN  56  -0.313  20.215 -16.004
  437    HG2  GLN  56           HG2      GLN  56   1.446  21.946 -15.425
  438    HG3  GLN  56           HG3      GLN  56   2.688  20.753 -15.830
  439   HE21  GLN  56          HE22      GLN  56  -0.390  21.833 -17.477
  440   HE22  GLN  56          HE21      GLN  56   0.393  22.131 -19.006
  441    H    ALA  57           H        ALA  57   0.683  17.088 -14.643
  442    HA   ALA  57           HA       ALA  57  -2.057  16.482 -14.396
  443    HB1  ALA  57           HB1      ALA  57  -1.374  14.153 -14.174
  444    HB2  ALA  57           HB2      ALA  57  -0.332  14.939 -15.375
  445    HB3  ALA  57           HB3      ALA  57   0.268  14.644 -13.723
  446    H    LYS  58           H        LYS  58   0.443  16.760 -11.894
  447    HA   LYS  58           HA       LYS  58  -1.054  15.394  -9.865
  448    HB2  LYS  58           HB2      LYS  58   1.399  15.827  -9.790
  449    HB3  LYS  58           HB3      LYS  58   1.101  17.529  -9.433
  450    HG2  LYS  58           HG2      LYS  58  -0.092  15.325  -7.718
  451    HG3  LYS  58           HG3      LYS  58   1.590  15.796  -7.511
  452    HD2  LYS  58           HD2      LYS  58   1.043  18.012  -6.816
  453    HD3  LYS  58           HD3      LYS  58  -0.641  17.849  -7.316
  454    HE2  LYS  58           HE2      LYS  58  -0.819  15.898  -5.678
  455    HE3  LYS  58           HE3      LYS  58   0.736  16.420  -5.015
  456    HZ1  LYS  58           HZ1      LYS  58  -1.784  17.984  -5.119
  457    HZ2  LYS  58           HZ2      LYS  58  -1.069  17.393  -3.774
  458    HZ3  LYS  58           HZ3      LYS  58  -0.351  18.609  -4.592
  459    H    GLU  59           H        GLU  59  -0.887  18.919 -10.730
  460    HA   GLU  59           HA       GLU  59  -2.742  19.582  -8.617
  461    HB2  GLU  59           HB2      GLU  59  -2.941  21.772  -9.636
  462    HB3  GLU  59           HB3      GLU  59  -1.270  21.288  -9.367
  463    HG2  GLU  59           HG2      GLU  59  -0.946  20.842 -11.725
  464    HG3  GLU  59           HG3      GLU  59  -2.660  21.134 -12.071
  465    H    ILE  60           H        ILE  60  -3.203  18.599 -12.040
  466    HA   ILE  60           HA       ILE  60  -6.026  19.069 -12.116
  467    HB   ILE  60           HB       ILE  60  -4.310  16.959 -13.489
  468   HG12  ILE  60          HG12      ILE  60  -5.572  19.522 -14.567
  469   HG13  ILE  60          HG13      ILE  60  -3.879  19.339 -14.131
  470   HG21  ILE  60          HG21      ILE  60  -6.223  16.549 -14.993
  471   HG22  ILE  60          HG22      ILE  60  -6.615  16.100 -13.352
  472   HG23  ILE  60          HG23      ILE  60  -7.231  17.635 -14.004
  473   HD11  ILE  60          HD11      ILE  60  -3.901  19.049 -16.469
  474   HD12  ILE  60          HD12      ILE  60  -3.805  17.388 -15.834
  475   HD13  ILE  60          HD13      ILE  60  -5.343  18.026 -16.439
  476    H    LEU  61           H        LEU  61  -4.133  16.168 -11.030
  477    HA   LEU  61           HA       LEU  61  -6.499  14.738 -10.311
  478    HB2  LEU  61           HB2      LEU  61  -3.625  14.356  -9.369
  479    HB3  LEU  61           HB3      LEU  61  -4.981  13.264  -9.054
  480    HG   LEU  61           HG       LEU  61  -3.814  13.859 -11.798
  481   HD11  LEU  61          HD11      LEU  61  -3.898  11.289 -10.174
  482   HD12  LEU  61          HD12      LEU  61  -3.182  11.509 -11.785
  483   HD13  LEU  61          HD13      LEU  61  -2.470  12.330 -10.390
  484   HD21  LEU  61          HD21      LEU  61  -5.412  12.043 -12.533
  485   HD22  LEU  61          HD22      LEU  61  -6.253  12.275 -10.981
  486   HD23  LEU  61          HD23      LEU  61  -6.148  13.599 -12.170
  487    H    SER  62           H        SER  62  -4.510  17.029  -8.511
  488    HA   SER  62           HA       SER  62  -5.694  16.562  -5.941
  489    HB2  SER  62           HB2      SER  62  -4.582  19.158  -7.077
  490    HB3  SER  62           HB3      SER  62  -4.826  18.761  -5.370
  491    HG   SER  62           HG       SER  62  -3.076  17.408  -7.188
  492    H    GLU  63           H        GLU  63  -6.643  18.670  -8.735
  493    HA   GLU  63           HA       GLU  63  -8.953  19.762  -7.443
  494    HB2  GLU  63           HB2      GLU  63  -7.734  20.677  -9.475
  495    HB3  GLU  63           HB3      GLU  63  -8.452  19.379 -10.425
  496    HG2  GLU  63           HG2      GLU  63  -9.752  21.344 -10.776
  497    HG3  GLU  63           HG3      GLU  63 -10.731  20.237  -9.829
  498    H    MET  64           H        MET  64  -8.416  16.822  -9.419
  499    HA   MET  64           HA       MET  64 -11.159  15.936  -9.430
  500    HB2  MET  64           HB2      MET  64  -8.550  14.402  -9.724
  501    HB3  MET  64           HB3      MET  64 -10.131  13.688  -9.948
  502    HG2  MET  64           HG2      MET  64  -9.067  16.025 -11.574
  503    HG3  MET  64           HG3      MET  64  -8.985  14.343 -12.068
  504    HE1  MET  64           HE1      MET  64 -12.635  13.388 -12.907
  505    HE2  MET  64           HE2      MET  64 -10.936  12.878 -12.804
  506    HE3  MET  64           HE3      MET  64 -11.890  13.112 -11.321
  507    H    GLY  65           H        GLY  65  -9.036  16.267  -6.780
  508    HA2  GLY  65           HA2      GLY  65  -9.707  15.969  -4.605
  509    HA3  GLY  65           HA3      GLY  65 -10.968  14.839  -5.105
  510    H    TYR  66           H        TYR  66  -7.780  14.147  -6.398
  511    HA   TYR  66           HA       TYR  66  -7.473  11.795  -4.667
  512    HB2  TYR  66           HB2      TYR  66  -5.697  13.053  -6.792
  513    HB3  TYR  66           HB3      TYR  66  -5.213  11.700  -5.784
  514    HD1  TYR  66           HD1      TYR  66  -7.921  12.687  -8.210
  515    HD2  TYR  66           HD2      TYR  66  -5.645   9.492  -6.418
  516    HE1  TYR  66           HE1      TYR  66  -9.129  11.043  -9.614
  517    HE2  TYR  66           HE2      TYR  66  -6.840   7.846  -7.823
  518    HH   TYR  66           HH       TYR  66  -8.639   7.499  -9.241
  519    H    THR  67           H        THR  67  -5.929  11.596  -3.025
  520    HA   THR  67           HA       THR  67  -4.979  14.214  -1.935
  521    HB   THR  67           HB       THR  67  -7.111  13.423  -1.035
  522    HG1  THR  67           HG1      THR  67  -6.632  13.893   1.017
  523   HG21  THR  67          HG21      THR  67  -7.151  11.532   0.586
  524   HG22  THR  67          HG22      THR  67  -6.908  11.025  -1.084
  525   HG23  THR  67          HG23      THR  67  -5.527  11.056   0.045
  526    H    HIS  68           H        HIS  68  -3.893  11.100  -2.859
  527    HA   HIS  68           HA       HIS  68  -1.291  11.705  -1.557
  528    HB2  HIS  68           HB2      HIS  68  -2.573   8.958  -1.783
  529    HB3  HIS  68           HB3      HIS  68  -0.908   9.266  -1.290
  530    HD1  HIS  68           HD1      HIS  68  -3.752   8.250   0.433
  531    HD2  HIS  68           HD2      HIS  68  -1.115  11.501   0.863
  532    HE1  HIS  68           HE1      HIS  68  -3.980   9.042   2.847
  533    H    VAL  69           H        VAL  69  -2.207  12.588  -4.061
  534    HA   VAL  69           HA       VAL  69  -0.732  11.016  -6.057
  535    HB   VAL  69           HB       VAL  69  -1.268  13.211  -7.401
  536   HG11  VAL  69          HG11      VAL  69  -3.212  11.021  -6.618
  537   HG12  VAL  69          HG12      VAL  69  -3.551  12.186  -7.902
  538   HG13  VAL  69          HG13      VAL  69  -2.150  11.133  -8.043
  539   HG21  VAL  69          HG21      VAL  69  -2.178  14.506  -5.413
  540   HG22  VAL  69          HG22      VAL  69  -3.265  14.405  -6.802
  541   HG23  VAL  69          HG23      VAL  69  -3.547  13.388  -5.380
  542    H    GLU  70           H        GLU  70   1.311  11.632  -6.822
  543    HA   GLU  70           HA       GLU  70   2.617  14.002  -5.610
  544    HB2  GLU  70           HB2      GLU  70   2.988  12.121  -4.049
  545    HB3  GLU  70           HB3      GLU  70   3.623  11.126  -5.366
  546    HG2  GLU  70           HG2      GLU  70   5.511  12.674  -5.669
  547    HG3  GLU  70           HG3      GLU  70   4.833  13.781  -4.474
  548    H    ASN  71           H        ASN  71   3.855  15.001  -7.132
  549    HA   ASN  71           HA       ASN  71   4.409  13.676  -9.713
  550    HB2  ASN  71           HB2      ASN  71   3.931  16.065  -9.829
  551    HB3  ASN  71           HB3      ASN  71   5.202  16.410  -8.641
  552   HD21  ASN  71          HD22      ASN  71   6.433  17.719 -10.179
  553   HD22  ASN  71          HD21      ASN  71   7.104  17.016 -11.637
  554    H    ALA  72           H        ALA  72   5.858  12.123  -9.564
  555    HA   ALA  72           HA       ALA  72   7.755  11.921  -7.421
  556    HB1  ALA  72           HB1      ALA  72   7.441  10.418 -10.046
  557    HB2  ALA  72           HB2      ALA  72   8.448   9.902  -8.661
  558    HB3  ALA  72           HB3      ALA  72   6.683   9.998  -8.496
  559    H    GLY  73           H        GLY  73   7.951  13.214 -10.756
  560    HA2  GLY  73           HA2      GLY  73   9.891  14.939 -10.769
  561    HA3  GLY  73           HA3      GLY  73  10.900  13.507 -10.521
  562    H    GLY  74           H        GLY  74  11.846  14.272 -12.592
  563    HA2  GLY  74           HA2      GLY  74  10.383  13.697 -15.048
  564    HA3  GLY  74           HA3      GLY  74  12.108  14.059 -14.906
  565    H    LEU  75           H        LEU  75  10.886  11.858 -16.420
  566    HA   LEU  75           HA       LEU  75  10.880   9.346 -15.365
  567    HB2  LEU  75           HB2      LEU  75  10.427   9.717 -17.685
  568    HB3  LEU  75           HB3      LEU  75  12.029  10.373 -17.974
  569    HG   LEU  75           HG       LEU  75  13.065   8.184 -17.735
  570   HD11  LEU  75          HD11      LEU  75  11.461   7.094 -16.125
  571   HD12  LEU  75          HD12      LEU  75  10.295   6.951 -17.452
  572   HD13  LEU  75          HD13      LEU  75  11.831   6.111 -17.548
  573   HD21  LEU  75          HD21      LEU  75  10.678   8.143 -19.623
  574   HD22  LEU  75          HD22      LEU  75  12.232   8.944 -19.929
  575   HD23  LEU  75          HD23      LEU  75  12.161   7.182 -19.781
  576    H    LYS  76           H        LYS  76  13.943  11.008 -16.305
  577    HA   LYS  76           HA       LYS  76  15.609   8.789 -15.521
  578    HB2  LYS  76           HB2      LYS  76  16.001  11.651 -16.356
  579    HB3  LYS  76           HB3      LYS  76  17.285  10.943 -15.394
  580    HG2  LYS  76           HG2      LYS  76  17.707  10.737 -17.790
  581    HG3  LYS  76           HG3      LYS  76  17.677   9.184 -16.954
  582    HD2  LYS  76           HD2      LYS  76  15.461   8.673 -17.873
  583    HD3  LYS  76           HD3      LYS  76  15.380  10.282 -18.635
  584    HE2  LYS  76           HE2      LYS  76  17.345   9.758 -20.012
  585    HE3  LYS  76           HE3      LYS  76  17.553   8.207 -19.192
  586    HZ1  LYS  76           HZ1      LYS  76  15.185   8.892 -20.832
  587    HZ2  LYS  76           HZ2      LYS  76  16.457   8.016 -21.351
  588    HZ3  LYS  76           HZ3      LYS  76  15.521   7.416 -20.164
  589    H    ASP  77           H        ASP  77  14.051  11.283 -13.606
  590    HA   ASP  77           HA       ASP  77  16.006  11.099 -11.431
  591    HB2  ASP  77           HB2      ASP  77  14.892  13.246 -12.000
  592    HB3  ASP  77           HB3      ASP  77  13.335  12.541 -11.552
  593    H    ILE  78           H        ILE  78  12.774   9.695 -12.253
  594    HA   ILE  78           HA       ILE  78  12.152   8.746  -9.678
  595    HB   ILE  78           HB       ILE  78  11.432   7.818 -12.464
  596   HG12  ILE  78          HG12      ILE  78   9.123   8.265 -11.591
  597   HG13  ILE  78          HG13      ILE  78   9.814   8.734 -10.038
  598   HG21  ILE  78          HG21      ILE  78   9.870   6.131 -11.401
  599   HG22  ILE  78          HG22      ILE  78  11.570   5.692 -11.344
  600   HG23  ILE  78          HG23      ILE  78  10.757   6.329  -9.886
  601   HD11  ILE  78          HD11      ILE  78   9.172  10.664 -11.455
  602   HD12  ILE  78          HD12      ILE  78  10.899  10.685 -11.114
  603   HD13  ILE  78          HD13      ILE  78  10.294  10.109 -12.698
  604    H    ALA  79           H        ALA  79  13.172   7.482  -8.345
  605    HA   ALA  79           HA       ALA  79  15.479   5.889  -9.155
  606    HB1  ALA  79           HB1      ALA  79  15.827   5.678  -6.726
  607    HB2  ALA  79           HB2      ALA  79  15.586   7.372  -7.187
  608    HB3  ALA  79           HB3      ALA  79  14.264   6.464  -6.414
  609    H    MET  80           H        MET  80  13.604   4.672 -10.466
  610    HA   MET  80           HA       MET  80  13.086   2.161  -8.984
  611    HB2  MET  80           HB2      MET  80  11.072   3.558 -10.801
  612    HB3  MET  80           HB3      MET  80  10.930   1.912 -10.216
  613    HG2  MET  80           HG2      MET  80  10.701   2.642  -7.926
  614    HG3  MET  80           HG3      MET  80  11.050   4.314  -8.369
  615    HE1  MET  80           HE1      MET  80   8.698   1.899 -10.529
  616    HE2  MET  80           HE2      MET  80   8.458   1.334  -8.856
  617    HE3  MET  80           HE3      MET  80   7.151   2.161  -9.729
  618    HA   PRO  81           HA       PRO  81  14.709   0.345 -12.786
  619    HB2  PRO  81           HB2      PRO  81  12.393  -1.575 -12.542
  620    HB3  PRO  81           HB3      PRO  81  14.123  -1.930 -12.831
  621    HG2  PRO  81           HG2      PRO  81  13.030  -2.304 -10.375
  622    HG3  PRO  81           HG3      PRO  81  14.659  -1.567 -10.537
  623    HD2  PRO  81           HD2      PRO  81  12.008  -0.183 -10.080
  624    HD3  PRO  81           HD3      PRO  81  13.590   0.102  -9.290
  625    H    LYS  82           H        LYS  82  14.068   0.053 -15.057
  626    HA   LYS  82           HA       LYS  82  11.471   1.269 -15.804
  627    HB2  LYS  82           HB2      LYS  82  14.237   2.064 -16.817
  628    HB3  LYS  82           HB3      LYS  82  12.715   2.584 -17.557
  629    HG2  LYS  82           HG2      LYS  82  12.076   3.855 -15.623
  630    HG3  LYS  82           HG3      LYS  82  13.341   3.126 -14.632
  631    HD2  LYS  82           HD2      LYS  82  15.080   4.210 -16.097
  632    HD3  LYS  82           HD3      LYS  82  13.768   5.053 -16.928
  633    HE2  LYS  82           HE2      LYS  82  14.607   6.554 -15.235
  634    HE3  LYS  82           HE3      LYS  82  13.035   5.988 -14.686
  635    HZ1  LYS  82           HZ1      LYS  82  14.586   5.924 -12.880
  636    HZ2  LYS  82           HZ2      LYS  82  14.247   4.369 -13.245
  637    HZ3  LYS  82           HZ3      LYS  82  15.671   5.031 -13.721
  638    H    VAL  83           H        VAL  83  10.534   0.153 -17.426
  639    HA   VAL  83           HA       VAL  83  11.999  -2.200 -18.525
  640    HB   VAL  83           HB       VAL  83   9.013  -1.587 -18.401
  641   HG11  VAL  83          HG11      VAL  83  10.497  -4.164 -19.112
  642   HG12  VAL  83          HG12      VAL  83   8.736  -3.992 -18.947
  643   HG13  VAL  83          HG13      VAL  83   9.578  -3.141 -20.239
  644   HG21  VAL  83          HG21      VAL  83   9.852  -1.947 -16.120
  645   HG22  VAL  83          HG22      VAL  83   8.921  -3.348 -16.644
  646   HG23  VAL  83          HG23      VAL  83  10.696  -3.421 -16.639
  647    H    LYS  84           H        LYS  84  12.240  -2.349 -20.800
  648    HA   LYS  84           HA       LYS  84  12.200   0.116 -22.264
  649    HB2  LYS  84           HB2      LYS  84  12.854  -1.178 -24.184
  650    HB3  LYS  84           HB3      LYS  84  13.800  -1.662 -22.780
  651    HG2  LYS  84           HG2      LYS  84  12.405  -3.688 -22.504
  652    HG3  LYS  84           HG3      LYS  84  11.396  -3.217 -23.870
  653    HD2  LYS  84           HD2      LYS  84  14.368  -3.857 -23.990
  654    HD3  LYS  84           HD3      LYS  84  13.072  -4.950 -24.456
  655    HE2  LYS  84           HE2      LYS  84  13.716  -2.284 -25.806
  656    HE3  LYS  84           HE3      LYS  84  14.181  -3.878 -26.394
  657    HZ1  LYS  84           HZ1      LYS  84  11.796  -4.408 -26.582
  658    HZ2  LYS  84           HZ2      LYS  84  11.394  -2.865 -26.166
  659    HZ3  LYS  84           HZ3      LYS  84  12.234  -3.160 -27.530
  660    H    GLY  85           H        GLY  85  10.977   0.619 -24.176
  661    HA2  GLY  85           HA2      GLY  85   8.144   0.154 -24.090
  662    HA3  GLY  85           HA3      GLY  85   9.074   0.813 -25.449
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1   4.031   0.905  -0.805
    2    H2   ALA   1           H2       ALA   1   3.821   2.262  -1.724
    3    H3   ALA   1           H3       ALA   1   2.932   2.050  -0.365
    4    HA   ALA   1           HA       ALA   1   2.809   0.355  -2.753
    5    HB1  ALA   1           HB1      ALA   1   2.166  -0.889  -0.733
    6    HB2  ALA   1           HB2      ALA   1   1.003   0.382  -0.290
    7    HB3  ALA   1           HB3      ALA   1   0.754  -0.584  -1.760
    8    H    GLU   2           H        GLU   2   2.133   1.559  -4.454
    9    HA   GLU   2           HA       GLU   2  -0.133   3.343  -4.298
   10    HB2  GLU   2           HB2      GLU   2   1.067   5.332  -4.921
   11    HB3  GLU   2           HB3      GLU   2   1.682   4.788  -3.377
   12    HG2  GLU   2           HG2      GLU   2   3.086   4.355  -6.037
   13    HG3  GLU   2           HG3      GLU   2   3.305   5.743  -4.995
   14    H    HIS   3           H        HIS   3  -0.587   4.146  -6.546
   15    HA   HIS   3           HA       HIS   3   0.372   2.255  -8.629
   16    HB2  HIS   3           HB2      HIS   3  -1.830   4.338  -8.489
   17    HB3  HIS   3           HB3      HIS   3  -1.263   3.703 -10.031
   18    HD1  HIS   3           HD1      HIS   3  -3.058   2.394  -6.830
   19    HD2  HIS   3           HD2      HIS   3  -1.936   1.254 -10.743
   20    HE1  HIS   3           HE1      HIS   3  -4.226   0.199  -7.307
   21    H    TRP   4           H        TRP   4   1.223   3.143 -10.670
   22    HA   TRP   4           HA       TRP   4   2.760   5.671 -10.336
   23    HB2  TRP   4           HB2      TRP   4   3.895   3.117 -11.522
   24    HB3  TRP   4           HB3      TRP   4   4.745   4.581 -11.070
   25    HD1  TRP   4           HD1      TRP   4   5.151   4.991  -8.423
   26    HE1  TRP   4           HE1      TRP   4   5.456   3.357  -6.480
   27    HE3  TRP   4           HE3      TRP   4   3.231   0.789 -10.624
   28    HZ2  TRP   4           HZ2      TRP   4   5.151   0.503  -6.036
   29    HZ3  TRP   4           HZ3      TRP   4   3.273  -1.382  -9.427
   30    HH2  TRP   4           HH2      TRP   4   4.231  -1.539  -7.137
   31    H    ILE   5           H        ILE   5   2.336   6.969 -12.099
   32    HA   ILE   5           HA       ILE   5   1.241   5.660 -14.550
   33    HB   ILE   5           HB       ILE   5   0.461   8.401 -13.568
   34   HG12  ILE   5          HG12      ILE   5  -0.224   6.911 -11.744
   35   HG13  ILE   5          HG13      ILE   5  -1.573   7.635 -12.587
   36   HG21  ILE   5          HG21      ILE   5   0.037   7.882 -15.924
   37   HG22  ILE   5          HG22      ILE   5  -0.840   6.420 -15.481
   38   HG23  ILE   5          HG23      ILE   5  -1.490   8.019 -15.040
   39   HD11  ILE   5          HD11      ILE   5  -2.086   5.528 -13.721
   40   HD12  ILE   5          HD12      ILE   5  -0.644   4.764 -13.017
   41   HD13  ILE   5          HD13      ILE   5  -1.983   5.275 -11.975
   42    H    ASP   6           H        ASP   6   2.214   6.149 -16.372
   43    HA   ASP   6           HA       ASP   6   4.392   8.166 -16.566
   44    HB2  ASP   6           HB2      ASP   6   4.855   5.950 -17.453
   45    HB3  ASP   6           HB3      ASP   6   3.339   5.908 -18.335
   46    H    VAL   7           H        VAL   7   3.652  10.191 -17.105
   47    HA   VAL   7           HA       VAL   7   0.999  10.346 -18.438
   48    HB   VAL   7           HB       VAL   7   0.462  12.327 -17.221
   49   HG11  VAL   7          HG11      VAL   7   1.393  10.133 -15.340
   50   HG12  VAL   7          HG12      VAL   7   0.165  11.369 -15.017
   51   HG13  VAL   7          HG13      VAL   7  -0.123  10.161 -16.273
   52   HG21  VAL   7          HG21      VAL   7   2.648  13.391 -16.792
   53   HG22  VAL   7          HG22      VAL   7   1.894  13.032 -15.247
   54   HG23  VAL   7          HG23      VAL   7   3.173  11.989 -15.832
   55    H    ARG   8           H        ARG   8   2.745  10.065 -20.353
   56    HA   ARG   8           HA       ARG   8   2.445  12.714 -21.597
   57    HB2  ARG   8           HB2      ARG   8   4.947  12.191 -20.671
   58    HB3  ARG   8           HB3      ARG   8   5.048  11.369 -22.220
   59    HG2  ARG   8           HG2      ARG   8   4.233  13.539 -23.327
   60    HG3  ARG   8           HG3      ARG   8   4.302  14.305 -21.740
   61    HD2  ARG   8           HD2      ARG   8   6.684  13.825 -21.586
   62    HD3  ARG   8           HD3      ARG   8   6.643  12.928 -23.113
   63    HE   ARG   8           HE       ARG   8   5.854  15.803 -23.023
   64   HH11  ARG   8          HH11      ARG   8   8.121  13.348 -24.260
   65   HH12  ARG   8          HH12      ARG   8   8.907  14.434 -25.342
   66   HH21  ARG   8          HH21      ARG   8   6.890  17.224 -24.488
   67   HH22  ARG   8          HH22      ARG   8   8.186  16.675 -25.477
   68    H    VAL   9           H        VAL   9   3.553  12.151 -24.069
   69    HA   VAL   9           HA       VAL   9   1.615  10.429 -25.276
   70    HB   VAL   9           HB       VAL   9   3.152  10.680 -27.288
   71   HG11  VAL   9          HG11      VAL   9   2.267  13.254 -25.908
   72   HG12  VAL   9          HG12      VAL   9   2.592  13.042 -27.640
   73   HG13  VAL   9          HG13      VAL   9   1.243  12.182 -26.885
   74   HG21  VAL   9          HG21      VAL   9   4.985  12.227 -27.259
   75   HG22  VAL   9          HG22      VAL   9   4.691  12.693 -25.581
   76   HG23  VAL   9          HG23      VAL   9   5.297  11.069 -25.955
   77    HA   PRO  10           HA       PRO  10   3.500   6.395 -24.852
   78    HB2  PRO  10           HB2      PRO  10   3.125   6.171 -27.842
   79    HB3  PRO  10           HB3      PRO  10   2.731   4.978 -26.565
   80    HG2  PRO  10           HG2      PRO  10   0.777   6.501 -27.675
   81    HG3  PRO  10           HG3      PRO  10   0.800   6.212 -25.906
   82    HD2  PRO  10           HD2      PRO  10   1.721   8.655 -27.425
   83    HD3  PRO  10           HD3      PRO  10   0.800   8.543 -25.893
   84    H    GLU  11           H        GLU  11   4.769   8.733 -27.200
   85    HA   GLU  11           HA       GLU  11   6.947   7.300 -28.174
   86    HB2  GLU  11           HB2      GLU  11   6.743  10.299 -27.688
   87    HB3  GLU  11           HB3      GLU  11   7.940   9.495 -28.707
   88    HG2  GLU  11           HG2      GLU  11   6.065   8.554 -30.099
   89    HG3  GLU  11           HG3      GLU  11   4.925   9.510 -29.150
   90    H    GLN  12           H        GLN  12   6.667   8.731 -24.914
   91    HA   GLN  12           HA       GLN  12   9.561   8.272 -24.487
   92    HB2  GLN  12           HB2      GLN  12   9.292   8.867 -22.218
   93    HB3  GLN  12           HB3      GLN  12   8.612  10.104 -23.258
   94    HG2  GLN  12           HG2      GLN  12   6.333   9.419 -22.633
   95    HG3  GLN  12           HG3      GLN  12   6.976   8.082 -21.672
   96   HE21  GLN  12          HE22      GLN  12   6.917   8.525 -19.480
   97   HE22  GLN  12          HE21      GLN  12   7.316  10.075 -18.774
   98    H    TYR  13           H        TYR  13   6.447   6.749 -23.551
   99    HA   TYR  13           HA       TYR  13   7.462   4.702 -21.980
  100    HB2  TYR  13           HB2      TYR  13   5.062   5.527 -22.353
  101    HB3  TYR  13           HB3      TYR  13   5.015   4.515 -23.782
  102    HD1  TYR  13           HD2      TYR  13   5.098   4.603 -20.099
  103    HD2  TYR  13           HD1      TYR  13   4.812   2.050 -23.559
  104    HE1  TYR  13           HE2      TYR  13   4.237   2.783 -18.669
  105    HE2  TYR  13           HE1      TYR  13   3.968   0.210 -22.131
  106    HH   TYR  13           HH       TYR  13   3.556   0.552 -18.568
  107    H    GLN  14           H        GLN  14   6.988   4.753 -25.512
  108    HA   GLN  14           HA       GLN  14   7.612   2.016 -25.988
  109    HB2  GLN  14           HB2      GLN  14   7.617   4.500 -27.751
  110    HB3  GLN  14           HB3      GLN  14   7.921   2.888 -28.387
  111    HG2  GLN  14           HG2      GLN  14   5.368   3.732 -26.954
  112    HG3  GLN  14           HG3      GLN  14   5.565   3.590 -28.692
  113   HE21  GLN  14          HE22      GLN  14   4.045   2.044 -26.316
  114   HE22  GLN  14          HE21      GLN  14   4.263   0.380 -26.791
  115    H    GLN  15           H        GLN  15   9.803   4.361 -24.866
  116    HA   GLN  15           HA       GLN  15  12.030   2.696 -25.917
  117    HB2  GLN  15           HB2      GLN  15  13.480   4.663 -26.048
  118    HB3  GLN  15           HB3      GLN  15  12.143   4.704 -27.195
  119    HG2  GLN  15           HG2      GLN  15  10.918   6.261 -25.701
  120    HG3  GLN  15           HG3      GLN  15  12.297   6.296 -24.597
  121   HE21  GLN  15          HE22      GLN  15  10.793   7.965 -27.042
  122   HE22  GLN  15          HE21      GLN  15  12.165   8.855 -27.687
  123    H    GLU  16           H        GLU  16  10.787   4.669 -23.147
  124    HA   GLU  16           HA       GLU  16  11.775   2.617 -21.459
  125    HB2  GLU  16           HB2      GLU  16  13.264   3.804 -20.012
  126    HB3  GLU  16           HB3      GLU  16  13.922   3.832 -21.636
  127    HG2  GLU  16           HG2      GLU  16  12.916   6.183 -21.880
  128    HG3  GLU  16           HG3      GLU  16  12.582   6.117 -20.144
  129    H    HIS  17           H        HIS  17  10.615   2.617 -19.511
  130    HA   HIS  17           HA       HIS  17   9.338   5.090 -18.579
  131    HB2  HIS  17           HB2      HIS  17   7.184   3.988 -18.246
  132    HB3  HIS  17           HB3      HIS  17   7.593   4.045 -19.946
  133    HD1  HIS  17           HD1      HIS  17   7.381   1.458 -17.076
  134    HD2  HIS  17           HD2      HIS  17   7.668   1.733 -21.258
  135    HE1  HIS  17           HE1      HIS  17   6.925  -0.877 -17.978
  136    H    VAL  18           H        VAL  18   8.837   4.920 -16.321
  137    HA   VAL  18           HA       VAL  18  10.517   3.465 -14.567
  138    HB   VAL  18           HB       VAL  18   7.951   5.038 -14.490
  139   HG11  VAL  18          HG11      VAL  18   8.920   3.402 -12.080
  140   HG12  VAL  18          HG12      VAL  18   7.735   4.723 -12.013
  141   HG13  VAL  18          HG13      VAL  18   7.342   3.254 -12.900
  142   HG21  VAL  18          HG21      VAL  18   9.202   6.431 -12.944
  143   HG22  VAL  18          HG22      VAL  18  10.520   5.239 -12.866
  144   HG23  VAL  18          HG23      VAL  18  10.186   6.102 -14.373
  145    H    GLN  19           H        GLN  19  10.472   1.344 -13.895
  146    HA   GLN  19           HA       GLN  19   9.375  -0.470 -15.557
  147    HB2  GLN  19           HB2      GLN  19  11.231  -0.827 -14.002
  148    HB3  GLN  19           HB3      GLN  19  10.120  -0.966 -12.644
  149    HG2  GLN  19           HG2      GLN  19   9.749  -2.831 -15.002
  150    HG3  GLN  19           HG3      GLN  19  11.154  -3.066 -13.977
  151   HE21  GLN  19          HE22      GLN  19   7.562  -3.029 -13.933
  152   HE22  GLN  19          HE21      GLN  19   7.424  -4.013 -12.487
  153    H    GLY  20           H        GLY  20   7.663   0.673 -12.674
  154    HA2  GLY  20           HA2      GLY  20   5.549  -1.356 -12.977
  155    HA3  GLY  20           HA3      GLY  20   5.671  -0.109 -11.733
  156    H    ALA  21           H        ALA  21   6.113   1.381 -14.739
  157    HA   ALA  21           HA       ALA  21   3.731   2.924 -14.308
  158    HB1  ALA  21           HB1      ALA  21   4.526   4.261 -16.161
  159    HB2  ALA  21           HB2      ALA  21   5.974   3.771 -15.247
  160    HB3  ALA  21           HB3      ALA  21   5.561   2.949 -16.751
  161    H    ILE  22           H        ILE  22   2.137   3.469 -15.687
  162    HA   ILE  22           HA       ILE  22   1.544   1.782 -18.033
  163    HB   ILE  22           HB       ILE  22  -0.848   1.953 -17.450
  164   HG12  ILE  22          HG12      ILE  22   0.052   2.814 -14.668
  165   HG13  ILE  22          HG13      ILE  22  -0.808   3.823 -15.834
  166   HG21  ILE  22          HG21      ILE  22   0.561  -0.087 -17.039
  167   HG22  ILE  22          HG22      ILE  22   0.728   0.420 -15.346
  168   HG23  ILE  22          HG23      ILE  22  -0.866   0.008 -16.011
  169   HD11  ILE  22          HD11      ILE  22  -2.735   2.227 -15.753
  170   HD12  ILE  22          HD12      ILE  22  -1.896   1.346 -14.450
  171   HD13  ILE  22          HD13      ILE  22  -2.378   3.027 -14.208
  172    H    ASN  23           H        ASN  23   0.986   3.047 -19.788
  173    HA   ASN  23           HA       ASN  23   1.608   5.898 -19.529
  174    HB2  ASN  23           HB2      ASN  23   2.536   4.692 -21.422
  175    HB3  ASN  23           HB3      ASN  23   0.924   4.166 -21.933
  176   HD21  ASN  23          HD22      ASN  23   2.823   7.236 -21.230
  177   HD22  ASN  23          HD21      ASN  23   1.933   8.178 -22.392
  178    H    ILE  24           H        ILE  24   0.142   7.389 -19.094
  179    HA   ILE  24           HA       ILE  24  -2.514   7.283 -20.378
  180    HB   ILE  24           HB       ILE  24  -2.247   7.912 -17.419
  181   HG12  ILE  24          HG12      ILE  24  -3.293   5.334 -18.663
  182   HG13  ILE  24          HG13      ILE  24  -1.859   5.501 -17.643
  183   HG21  ILE  24          HG21      ILE  24  -4.052   9.011 -18.836
  184   HG22  ILE  24          HG22      ILE  24  -4.694   7.391 -19.159
  185   HG23  ILE  24          HG23      ILE  24  -4.645   8.033 -17.492
  186   HD11  ILE  24          HD11      ILE  24  -3.581   4.606 -16.280
  187   HD12  ILE  24          HD12      ILE  24  -3.355   6.290 -15.768
  188   HD13  ILE  24          HD13      ILE  24  -4.748   5.837 -16.779
  189    HA   PRO  25           HA       PRO  25   0.024  10.969 -21.192
  190    HB2  PRO  25           HB2      PRO  25  -2.396  11.692 -22.850
  191    HB3  PRO  25           HB3      PRO  25  -0.663  11.842 -23.274
  192    HG2  PRO  25           HG2      PRO  25  -2.153   9.771 -24.212
  193    HG3  PRO  25           HG3      PRO  25  -0.476   9.496 -23.653
  194    HD2  PRO  25           HD2      PRO  25  -3.057   8.906 -22.221
  195    HD3  PRO  25           HD3      PRO  25  -1.532   7.973 -22.256
  196    H    LEU  26           H        LEU  26   0.110  13.163 -20.614
  197    HA   LEU  26           HA       LEU  26  -1.100  13.993 -18.345
  198    HB2  LEU  26           HB2      LEU  26   0.895  14.994 -19.404
  199    HB3  LEU  26           HB3      LEU  26  -0.086  15.751 -20.636
  200    HG   LEU  26           HG       LEU  26   0.806  17.205 -18.803
  201   HD11  LEU  26          HD11      LEU  26  -1.029  18.667 -18.593
  202   HD12  LEU  26          HD12      LEU  26  -1.154  17.916 -20.190
  203   HD13  LEU  26          HD13      LEU  26  -2.219  17.392 -18.863
  204   HD21  LEU  26          HD21      LEU  26  -1.256  15.806 -17.055
  205   HD22  LEU  26          HD22      LEU  26   0.520  15.731 -16.909
  206   HD23  LEU  26          HD23      LEU  26  -0.344  17.250 -16.634
  207    H    LYS  27           H        LYS  27  -2.222  14.928 -21.633
  208    HA   LYS  27           HA       LYS  27  -4.349  16.587 -20.642
  209    HB2  LYS  27           HB2      LYS  27  -3.958  15.347 -23.407
  210    HB3  LYS  27           HB3      LYS  27  -5.070  16.661 -23.008
  211    HG2  LYS  27           HG2      LYS  27  -3.123  18.064 -22.289
  212    HG3  LYS  27           HG3      LYS  27  -2.031  16.771 -22.830
  213    HD2  LYS  27           HD2      LYS  27  -2.936  16.958 -25.130
  214    HD3  LYS  27           HD3      LYS  27  -4.026  18.258 -24.595
  215    HE2  LYS  27           HE2      LYS  27  -2.060  19.623 -23.918
  216    HE3  LYS  27           HE3      LYS  27  -0.976  18.332 -24.453
  217    HZ1  LYS  27           HZ1      LYS  27  -2.819  19.845 -26.214
  218    HZ2  LYS  27           HZ2      LYS  27  -1.205  20.047 -26.132
  219    HZ3  LYS  27           HZ3      LYS  27  -1.815  18.652 -26.708
  220    H    GLU  28           H        GLU  28  -4.150  13.235 -20.561
  221    HA   GLU  28           HA       GLU  28  -7.062  12.825 -21.056
  222    HB2  GLU  28           HB2      GLU  28  -4.663  11.023 -21.603
  223    HB3  GLU  28           HB3      GLU  28  -6.319  10.592 -21.924
  224    HG2  GLU  28           HG2      GLU  28  -4.667  12.753 -23.285
  225    HG3  GLU  28           HG3      GLU  28  -5.243  11.249 -23.984
  226    H    VAL  29           H        VAL  29  -4.414  12.381 -18.828
  227    HA   VAL  29           HA       VAL  29  -5.178  10.209 -17.371
  228    HB   VAL  29           HB       VAL  29  -3.049  11.699 -17.270
  229   HG11  VAL  29          HG11      VAL  29  -4.511  13.071 -14.994
  230   HG12  VAL  29          HG12      VAL  29  -2.846  13.323 -15.545
  231   HG13  VAL  29          HG13      VAL  29  -4.192  13.808 -16.582
  232   HG21  VAL  29          HG21      VAL  29  -2.475  10.904 -15.027
  233   HG22  VAL  29          HG22      VAL  29  -4.183  10.548 -14.691
  234   HG23  VAL  29          HG23      VAL  29  -3.314   9.654 -15.954
  235    H    LYS  30           H        LYS  30  -6.665  13.372 -17.227
  236    HA   LYS  30           HA       LYS  30  -7.914  13.355 -14.738
  237    HB2  LYS  30           HB2      LYS  30  -7.833  15.203 -16.478
  238    HB3  LYS  30           HB3      LYS  30  -9.234  14.429 -17.244
  239    HG2  LYS  30           HG2      LYS  30 -10.496  14.588 -15.126
  240    HG3  LYS  30           HG3      LYS  30  -9.091  15.265 -14.301
  241    HD2  LYS  30           HD2      LYS  30 -10.673  16.548 -16.540
  242    HD3  LYS  30           HD3      LYS  30 -10.744  16.939 -14.810
  243    HE2  LYS  30           HE2      LYS  30  -8.268  17.544 -14.954
  244    HE3  LYS  30           HE3      LYS  30  -8.412  17.402 -16.716
  245    HZ1  LYS  30           HZ1      LYS  30 -10.197  19.136 -16.523
  246    HZ2  LYS  30           HZ2      LYS  30  -9.800  19.314 -14.928
  247    HZ3  LYS  30           HZ3      LYS  30  -8.715  19.667 -16.094
  248    H    GLU  31           H        GLU  31  -9.021  11.715 -17.735
  249    HA   GLU  31           HA       GLU  31 -11.489  10.860 -16.341
  250    HB2  GLU  31           HB2      GLU  31 -10.481  10.472 -19.188
  251    HB3  GLU  31           HB3      GLU  31 -12.001   9.813 -18.565
  252    HG2  GLU  31           HG2      GLU  31 -12.751  12.122 -17.985
  253    HG3  GLU  31           HG3      GLU  31 -11.264  12.771 -18.677
  254    H    ARG  32           H        ARG  32  -8.501   9.359 -17.719
  255    HA   ARG  32           HA       ARG  32  -9.566   6.696 -17.322
  256    HB2  ARG  32           HB2      ARG  32  -6.769   7.661 -17.993
  257    HB3  ARG  32           HB3      ARG  32  -7.197   5.961 -17.835
  258    HG2  ARG  32           HG2      ARG  32  -7.292   6.301 -20.124
  259    HG3  ARG  32           HG3      ARG  32  -8.991   6.368 -19.632
  260    HD2  ARG  32           HD2      ARG  32  -8.837   8.871 -19.640
  261    HD3  ARG  32           HD3      ARG  32  -7.148   8.747 -20.166
  262    HE   ARG  32           HE       ARG  32  -8.635   7.304 -22.029
  263   HH11  ARG  32          HH11      ARG  32  -8.592  10.622 -20.788
  264   HH12  ARG  32          HH12      ARG  32  -8.809  11.340 -22.359
  265   HH21  ARG  32          HH21      ARG  32  -9.238   8.290 -24.063
  266   HH22  ARG  32          HH22      ARG  32  -9.418  10.004 -24.166
  267    H    ILE  33           H        ILE  33  -7.815   8.848 -15.142
  268    HA   ILE  33           HA       ILE  33  -6.736   6.877 -13.460
  269    HB   ILE  33           HB       ILE  33  -6.374   9.355 -13.323
  270   HG12  ILE  33          HG12      ILE  33  -6.309   9.361 -10.744
  271   HG13  ILE  33          HG13      ILE  33  -6.987   7.747 -10.827
  272   HG21  ILE  33          HG21      ILE  33  -7.892  10.768 -12.062
  273   HG22  ILE  33          HG22      ILE  33  -8.768  10.048 -13.406
  274   HG23  ILE  33          HG23      ILE  33  -8.988   9.418 -11.760
  275   HD11  ILE  33          HD11      ILE  33  -4.539   7.703 -10.612
  276   HD12  ILE  33          HD12      ILE  33  -5.026   6.979 -12.148
  277   HD13  ILE  33          HD13      ILE  33  -4.369   8.629 -12.116
  278    H    ALA  34           H        ALA  34 -10.135   7.884 -13.858
  279    HA   ALA  34           HA       ALA  34 -11.152   6.770 -11.469
  280    HB1  ALA  34           HB1      ALA  34 -13.330   6.941 -12.579
  281    HB2  ALA  34           HB2      ALA  34 -12.362   8.390 -12.912
  282    HB3  ALA  34           HB3      ALA  34 -12.544   7.129 -14.158
  283    H    THR  35           H        THR  35 -10.031   5.110 -14.351
  284    HA   THR  35           HA       THR  35 -11.281   2.580 -13.412
  285    HB   THR  35           HB       THR  35 -10.719   1.966 -15.884
  286    HG1  THR  35           HG1      THR  35  -9.579   3.810 -16.488
  287   HG21  THR  35          HG21      THR  35 -12.883   2.876 -16.644
  288   HG22  THR  35          HG22      THR  35 -13.015   2.224 -15.003
  289   HG23  THR  35          HG23      THR  35 -12.925   3.981 -15.251
  290    H    ALA  36           H        ALA  36  -8.205   4.196 -14.245
  291    HA   ALA  36           HA       ALA  36  -6.589   1.818 -14.017
  292    HB1  ALA  36           HB1      ALA  36  -4.729   3.427 -13.862
  293    HB2  ALA  36           HB2      ALA  36  -5.833   3.862 -15.182
  294    HB3  ALA  36           HB3      ALA  36  -5.873   4.763 -13.647
  295    H    VAL  37           H        VAL  37  -7.752   4.291 -11.707
  296    HA   VAL  37           HA       VAL  37  -6.835   2.666  -9.412
  297    HB   VAL  37           HB       VAL  37  -6.390   5.675  -9.602
  298   HG11  VAL  37          HG11      VAL  37  -5.045   5.307  -7.570
  299   HG12  VAL  37          HG12      VAL  37  -6.682   4.712  -7.315
  300   HG13  VAL  37          HG13      VAL  37  -5.369   3.563  -7.640
  301   HG21  VAL  37          HG21      VAL  37  -3.955   5.169  -9.720
  302   HG22  VAL  37          HG22      VAL  37  -4.355   3.464 -10.030
  303   HG23  VAL  37          HG23      VAL  37  -4.822   4.726 -11.186
  304    HA   PRO  38           HA       PRO  38 -11.225   4.143  -9.610
  305    HB2  PRO  38           HB2      PRO  38 -12.498   1.885  -8.665
  306    HB3  PRO  38           HB3      PRO  38 -11.994   2.117 -10.366
  307    HG2  PRO  38           HG2      PRO  38 -10.528   0.624  -8.176
  308    HG3  PRO  38           HG3      PRO  38 -10.846   0.095  -9.859
  309    HD2  PRO  38           HD2      PRO  38  -8.465   1.187  -9.125
  310    HD3  PRO  38           HD3      PRO  38  -9.189   1.539 -10.722
  311    H    ASP  39           H        ASP  39  -9.487   2.626  -6.888
  312    HA   ASP  39           HA       ASP  39 -11.218   3.911  -4.877
  313    HB2  ASP  39           HB2      ASP  39 -10.227   1.798  -4.250
  314    HB3  ASP  39           HB3      ASP  39  -8.603   2.386  -4.633
  315    H    LYS  40           H        LYS  40 -11.136   6.084  -5.337
  316    HA   LYS  40           HA       LYS  40  -8.783   7.492  -5.962
  317    HB2  LYS  40           HB2      LYS  40 -10.094   9.526  -5.609
  318    HB3  LYS  40           HB3      LYS  40 -10.930   8.322  -6.563
  319    HG2  LYS  40           HG2      LYS  40 -12.708   8.505  -5.261
  320    HG3  LYS  40           HG3      LYS  40 -11.821   7.809  -3.914
  321    HD2  LYS  40           HD2      LYS  40 -11.866  10.790  -4.579
  322    HD3  LYS  40           HD3      LYS  40 -12.975   9.998  -3.447
  323    HE2  LYS  40           HE2      LYS  40 -11.078   9.252  -2.051
  324    HE3  LYS  40           HE3      LYS  40  -9.942  10.003  -3.179
  325    HZ1  LYS  40           HZ1      LYS  40 -10.837  12.137  -2.651
  326    HZ2  LYS  40           HZ2      LYS  40 -11.933  11.493  -1.586
  327    HZ3  LYS  40           HZ3      LYS  40 -10.311  11.384  -1.307
  328    H    ASN  41           H        ASN  41  -9.419   6.143  -2.904
  329    HA   ASN  41           HA       ASN  41  -7.962   8.275  -1.468
  330    HB2  ASN  41           HB2      ASN  41  -9.789   6.977  -0.341
  331    HB3  ASN  41           HB3      ASN  41  -8.811   5.516  -0.521
  332   HD21  ASN  41          HD22      ASN  41  -7.758   5.012   1.398
  333   HD22  ASN  41          HD21      ASN  41  -7.121   6.188   2.515
  334    H    ASP  42           H        ASP  42  -7.194   5.451  -3.386
  335    HA   ASP  42           HA       ASP  42  -4.809   4.684  -1.957
  336    HB2  ASP  42           HB2      ASP  42  -5.977   3.147  -3.499
  337    HB3  ASP  42           HB3      ASP  42  -5.586   4.214  -4.857
  338    H    THR  43           H        THR  43  -2.647   5.117  -2.476
  339    HA   THR  43           HA       THR  43  -2.124   7.815  -3.276
  340    HB   THR  43           HB       THR  43  -0.207   5.541  -2.704
  341    HG1  THR  43           HG1      THR  43  -0.362   6.137  -0.592
  342   HG21  THR  43          HG21      THR  43   1.306   7.380  -1.920
  343   HG22  THR  43          HG22      THR  43   0.958   7.507  -3.645
  344   HG23  THR  43          HG23      THR  43   0.124   8.577  -2.498
  345    H    VAL  44           H        VAL  44  -1.056   8.593  -5.123
  346    HA   VAL  44           HA       VAL  44  -0.382   6.650  -7.267
  347    HB   VAL  44           HB       VAL  44  -1.885   9.272  -7.704
  348   HG11  VAL  44          HG11      VAL  44  -0.553   8.543  -9.647
  349   HG12  VAL  44          HG12      VAL  44  -1.304   6.930  -9.570
  350   HG13  VAL  44          HG13      VAL  44  -2.271   8.362  -9.981
  351   HG21  VAL  44          HG21      VAL  44  -3.027   6.458  -7.658
  352   HG22  VAL  44          HG22      VAL  44  -3.471   7.816  -6.597
  353   HG23  VAL  44          HG23      VAL  44  -3.871   7.884  -8.308
  354    H    LYS  45           H        LYS  45   1.440   7.180  -8.403
  355    HA   LYS  45           HA       LYS  45   2.787   9.782  -7.815
  356    HB2  LYS  45           HB2      LYS  45   3.892   6.986  -8.243
  357    HB3  LYS  45           HB3      LYS  45   4.874   8.419  -8.561
  358    HG2  LYS  45           HG2      LYS  45   4.648   9.193  -6.266
  359    HG3  LYS  45           HG3      LYS  45   3.517   7.880  -5.887
  360    HD2  LYS  45           HD2      LYS  45   5.305   6.220  -6.397
  361    HD3  LYS  45           HD3      LYS  45   6.445   7.545  -6.705
  362    HE2  LYS  45           HE2      LYS  45   6.286   8.304  -4.402
  363    HE3  LYS  45           HE3      LYS  45   4.946   7.197  -4.073
  364    HZ1  LYS  45           HZ1      LYS  45   7.030   6.325  -3.230
  365    HZ2  LYS  45           HZ2      LYS  45   6.439   5.337  -4.398
  366    HZ3  LYS  45           HZ3      LYS  45   7.709   6.341  -4.713
  367    H    VAL  46           H        VAL  46   3.523  10.895  -9.566
  368    HA   VAL  46           HA       VAL  46   2.896   9.853 -12.286
  369    HB   VAL  46           HB       VAL  46   2.060  12.136 -12.823
  370   HG11  VAL  46          HG11      VAL  46  -0.167  11.856 -11.871
  371   HG12  VAL  46          HG12      VAL  46   0.493  10.277 -12.315
  372   HG13  VAL  46          HG13      VAL  46   0.456  10.776 -10.612
  373   HG21  VAL  46          HG21      VAL  46   2.003  12.613  -9.803
  374   HG22  VAL  46          HG22      VAL  46   3.055  13.446 -10.972
  375   HG23  VAL  46          HG23      VAL  46   1.307  13.655 -11.052
  376    H    TYR  47           H        TYR  47   4.324  10.486 -13.908
  377    HA   TYR  47           HA       TYR  47   6.371  12.454 -13.460
  378    HB2  TYR  47           HB2      TYR  47   8.229  10.699 -14.027
  379    HB3  TYR  47           HB3      TYR  47   7.612  10.844 -12.410
  380    HD1  TYR  47           HD2      TYR  47   7.183   8.805 -15.534
  381    HD2  TYR  47           HD1      TYR  47   6.542   9.059 -11.273
  382    HE1  TYR  47           HE2      TYR  47   6.136   6.570 -15.557
  383    HE2  TYR  47           HE1      TYR  47   5.502   6.819 -11.285
  384    HH   TYR  47           HH       TYR  47   4.959   5.007 -14.316
  385    H    CYS  48           H        CYS  48   7.401  13.037 -15.388
  386    HA   CYS  48           HA       CYS  48   6.295  12.077 -17.963
  387    HB2  CYS  48           HB2      CYS  48   4.855  13.868 -16.739
  388    HB3  CYS  48           HB3      CYS  48   6.226  14.954 -16.954
  389    HG   CYS  48           HG       CYS  48   4.033  13.667 -19.011
  390    H    ASN  49           H        ASN  49   7.428  13.521 -19.737
  391    HA   ASN  49           HA       ASN  49  10.231  13.309 -19.577
  392    HB2  ASN  49           HB2      ASN  49   8.969  13.431 -21.697
  393    HB3  ASN  49           HB3      ASN  49   8.554  15.120 -21.359
  394   HD21  ASN  49          HD22      ASN  49  11.386  12.928 -21.894
  395   HD22  ASN  49          HD21      ASN  49  12.404  14.173 -22.564
  396    H    ALA  50           H        ALA  50   8.185  15.922 -18.380
  397    HA   ALA  50           HA       ALA  50  10.593  17.315 -17.386
  398    HB1  ALA  50           HB1      ALA  50   8.244  18.686 -18.783
  399    HB2  ALA  50           HB2      ALA  50   9.574  19.506 -17.938
  400    HB3  ALA  50           HB3      ALA  50   9.906  18.570 -19.408
  401    H    GLY  51           H        GLY  51  10.301  18.092 -15.337
  402    HA2  GLY  51           HA2      GLY  51   8.439  16.791 -13.684
  403    HA3  GLY  51           HA3      GLY  51   9.489  18.137 -13.211
  404    H    ARG  52           H        ARG  52   8.256  20.032 -15.166
  405    HA   ARG  52           HA       ARG  52   6.066  21.091 -13.726
  406    HB2  ARG  52           HB2      ARG  52   7.290  22.458 -15.307
  407    HB3  ARG  52           HB3      ARG  52   6.951  21.347 -16.628
  408    HG2  ARG  52           HG2      ARG  52   5.656  23.294 -16.950
  409    HG3  ARG  52           HG3      ARG  52   4.554  21.980 -16.595
  410    HD2  ARG  52           HD2      ARG  52   5.476  24.009 -14.494
  411    HD3  ARG  52           HD3      ARG  52   4.086  24.280 -15.556
  412    HE   ARG  52           HE       ARG  52   3.881  21.745 -14.220
  413   HH11  ARG  52          HH21      ARG  52   3.300  25.215 -13.682
  414   HH12  ARG  52          HH22      ARG  52   2.063  24.943 -12.508
  415   HH21  ARG  52          HH11      ARG  52   2.305  21.411 -12.668
  416   HH22  ARG  52          HH12      ARG  52   1.413  22.714 -11.966
  417    H    GLN  53           H        GLN  53   6.122  18.773 -16.495
  418    HA   GLN  53           HA       GLN  53   3.232  18.809 -16.752
  419    HB2  GLN  53           HB2      GLN  53   5.341  16.912 -17.826
  420    HB3  GLN  53           HB3      GLN  53   3.645  16.926 -18.327
  421    HG2  GLN  53           HG2      GLN  53   5.691  19.167 -18.728
  422    HG3  GLN  53           HG3      GLN  53   5.129  18.043 -19.955
  423   HE21  GLN  53          HE22      GLN  53   3.090  18.423 -20.985
  424   HE22  GLN  53          HE21      GLN  53   2.125  19.836 -20.649
  425    H    SER  54           H        SER  54   5.637  16.642 -15.127
  426    HA   SER  54           HA       SER  54   3.814  14.759 -14.089
  427    HB2  SER  54           HB2      SER  54   6.142  15.970 -12.576
  428    HB3  SER  54           HB3      SER  54   5.522  14.312 -12.497
  429    HG   SER  54           HG       SER  54   7.419  14.435 -13.640
  430    H    GLY  55           H        GLY  55   4.824  17.974 -12.829
  431    HA2  GLY  55           HA2      GLY  55   3.227  18.132 -10.530
  432    HA3  GLY  55           HA3      GLY  55   3.821  19.487 -11.516
  433    H    GLN  56           H        GLN  56   2.430  19.046 -13.949
  434    HA   GLN  56           HA       GLN  56  -0.162  20.119 -13.348
  435    HB2  GLN  56           HB2      GLN  56   0.931  18.850 -15.887
  436    HB3  GLN  56           HB3      GLN  56  -0.669  19.584 -15.744
  437    HG2  GLN  56           HG2      GLN  56   0.820  21.640 -14.826
  438    HG3  GLN  56           HG3      GLN  56   2.028  20.863 -15.860
  439   HE21  GLN  56          HE22      GLN  56   1.892  21.287 -18.127
  440   HE22  GLN  56          HE21      GLN  56   0.541  22.134 -18.848
  441    H    ALA  57           H        ALA  57   0.886  16.750 -14.238
  442    HA   ALA  57           HA       ALA  57  -1.761  15.689 -14.164
  443    HB1  ALA  57           HB1      ALA  57   0.879  14.325 -13.515
  444    HB2  ALA  57           HB2      ALA  57  -0.674  13.502 -13.774
  445    HB3  ALA  57           HB3      ALA  57   0.073  14.399 -15.103
  446    H    LYS  58           H        LYS  58   0.540  16.462 -11.586
  447    HA   LYS  58           HA       LYS  58  -0.931  15.027  -9.532
  448    HB2  LYS  58           HB2      LYS  58   1.471  15.758  -9.340
  449    HB3  LYS  58           HB3      LYS  58   0.931  17.420  -9.096
  450    HG2  LYS  58           HG2      LYS  58  -0.104  15.161  -7.361
  451    HG3  LYS  58           HG3      LYS  58   1.475  15.867  -7.047
  452    HD2  LYS  58           HD2      LYS  58   0.580  17.989  -6.481
  453    HD3  LYS  58           HD3      LYS  58  -1.001  17.620  -7.171
  454    HE2  LYS  58           HE2      LYS  58  -1.224  15.741  -5.485
  455    HE3  LYS  58           HE3      LYS  58   0.232  16.363  -4.688
  456    HZ1  LYS  58           HZ1      LYS  58  -2.345  17.773  -5.078
  457    HZ2  LYS  58           HZ2      LYS  58  -1.741  17.249  -3.654
  458    HZ3  LYS  58           HZ3      LYS  58  -1.011  18.491  -4.422
  459    H    GLU  59           H        GLU  59  -0.960  18.442 -10.682
  460    HA   GLU  59           HA       GLU  59  -3.038  19.295  -8.929
  461    HB2  GLU  59           HB2      GLU  59  -2.129  20.325 -11.648
  462    HB3  GLU  59           HB3      GLU  59  -3.380  21.102 -10.671
  463    HG2  GLU  59           HG2      GLU  59  -1.761  21.327  -8.786
  464    HG3  GLU  59           HG3      GLU  59  -0.498  20.628  -9.795
  465    H    ILE  60           H        ILE  60  -3.211  17.795 -12.204
  466    HA   ILE  60           HA       ILE  60  -6.026  18.007 -12.517
  467    HB   ILE  60           HB       ILE  60  -3.954  16.061 -13.591
  468   HG12  ILE  60          HG12      ILE  60  -5.594  18.198 -15.031
  469   HG13  ILE  60          HG13      ILE  60  -4.019  18.522 -14.328
  470   HG21  ILE  60          HG21      ILE  60  -5.702  15.290 -15.231
  471   HG22  ILE  60          HG22      ILE  60  -6.015  14.776 -13.586
  472   HG23  ILE  60          HG23      ILE  60  -6.915  16.146 -14.258
  473   HD11  ILE  60          HD11      ILE  60  -3.034  16.709 -15.782
  474   HD12  ILE  60          HD12      ILE  60  -4.596  16.597 -16.616
  475   HD13  ILE  60          HD13      ILE  60  -3.679  18.109 -16.659
  476    H    LEU  61           H        LEU  61  -4.058  15.356 -11.000
  477    HA   LEU  61           HA       LEU  61  -6.434  13.853 -10.348
  478    HB2  LEU  61           HB2      LEU  61  -3.632  13.691  -9.191
  479    HB3  LEU  61           HB3      LEU  61  -4.937  12.535  -8.898
  480    HG   LEU  61           HG       LEU  61  -3.453  13.005 -11.506
  481   HD11  LEU  61          HD11      LEU  61  -2.406  11.480  -9.892
  482   HD12  LEU  61          HD12      LEU  61  -3.900  10.519  -9.813
  483   HD13  LEU  61          HD13      LEU  61  -2.964  10.616 -11.324
  484   HD21  LEU  61          HD21      LEU  61  -6.042  11.521 -11.075
  485   HD22  LEU  61          HD22      LEU  61  -5.714  12.815 -12.244
  486   HD23  LEU  61          HD23      LEU  61  -4.970  11.237 -12.474
  487    H    SER  62           H        SER  62  -4.698  16.440  -8.691
  488    HA   SER  62           HA       SER  62  -6.072  16.172  -6.171
  489    HB2  SER  62           HB2      SER  62  -4.886  18.673  -7.438
  490    HB3  SER  62           HB3      SER  62  -5.281  18.424  -5.732
  491    HG   SER  62           HG       SER  62  -3.348  16.995  -7.275
  492    H    GLU  63           H        GLU  63  -6.807  17.963  -9.234
  493    HA   GLU  63           HA       GLU  63  -9.205  19.188  -8.289
  494    HB2  GLU  63           HB2      GLU  63  -7.952  19.864 -10.321
  495    HB3  GLU  63           HB3      GLU  63  -8.429  18.363 -11.123
  496    HG2  GLU  63           HG2      GLU  63 -10.806  19.006 -10.969
  497    HG3  GLU  63           HG3      GLU  63 -10.364  20.476 -10.095
  498    H    MET  64           H        MET  64  -8.541  15.997  -9.782
  499    HA   MET  64           HA       MET  64 -11.285  15.090  -9.684
  500    HB2  MET  64           HB2      MET  64  -8.633  13.610  -9.907
  501    HB3  MET  64           HB3      MET  64 -10.195  12.807  -9.959
  502    HG2  MET  64           HG2      MET  64  -9.251  14.949 -11.890
  503    HG3  MET  64           HG3      MET  64  -9.311  13.221 -12.213
  504    HE1  MET  64           HE1      MET  64 -11.464  11.814 -12.558
  505    HE2  MET  64           HE2      MET  64 -12.192  12.301 -11.009
  506    HE3  MET  64           HE3      MET  64 -13.121  12.453 -12.513
  507    H    GLY  65           H        GLY  65  -9.247  15.842  -7.109
  508    HA2  GLY  65           HA2      GLY  65  -9.637  15.655  -4.888
  509    HA3  GLY  65           HA3      GLY  65 -11.131  14.777  -5.244
  510    H    TYR  66           H        TYR  66  -8.010  13.530  -6.440
  511    HA   TYR  66           HA       TYR  66  -8.316  11.080  -4.902
  512    HB2  TYR  66           HB2      TYR  66  -6.193  12.191  -6.751
  513    HB3  TYR  66           HB3      TYR  66  -5.847  10.815  -5.714
  514    HD1  TYR  66           HD1      TYR  66  -8.625  11.912  -8.046
  515    HD2  TYR  66           HD2      TYR  66  -6.150   8.688  -6.595
  516    HE1  TYR  66           HE1      TYR  66  -9.882  10.318  -9.460
  517    HE2  TYR  66           HE2      TYR  66  -7.372   7.103  -8.033
  518    HH   TYR  66           HH       TYR  66  -9.186   6.790  -9.427
  519    H    THR  67           H        THR  67  -7.743  10.804  -2.774
  520    HA   THR  67           HA       THR  67  -7.054  13.036  -1.286
  521    HB   THR  67           HB       THR  67  -6.655  10.240  -0.224
  522    HG1  THR  67           HG1      THR  67  -8.834   9.916  -0.162
  523   HG21  THR  67          HG21      THR  67  -6.607  12.209   1.302
  524   HG22  THR  67          HG22      THR  67  -8.234  12.661   0.734
  525   HG23  THR  67          HG23      THR  67  -7.989  11.150   1.646
  526    H    HIS  68           H        HIS  68  -4.928  10.633  -2.757
  527    HA   HIS  68           HA       HIS  68  -2.556  11.825  -1.408
  528    HB2  HIS  68           HB2      HIS  68  -3.172   8.855  -1.697
  529    HB3  HIS  68           HB3      HIS  68  -1.692   9.553  -1.033
  530    HD1  HIS  68           HD1      HIS  68  -4.912   8.177   0.072
  531    HD2  HIS  68           HD2      HIS  68  -2.291  11.245   1.299
  532    HE1  HIS  68           HE1      HIS  68  -5.524   8.726   2.485
  533    H    VAL  69           H        VAL  69  -1.515  12.730  -3.124
  534    HA   VAL  69           HA       VAL  69  -0.778  10.982  -5.351
  535    HB   VAL  69           HB       VAL  69  -1.786  13.802  -5.884
  536   HG11  VAL  69          HG11      VAL  69  -0.130  12.858  -7.511
  537   HG12  VAL  69          HG12      VAL  69  -1.196  11.472  -7.767
  538   HG13  VAL  69          HG13      VAL  69  -1.708  13.108  -8.239
  539   HG21  VAL  69          HG21      VAL  69  -3.771  12.502  -5.236
  540   HG22  VAL  69          HG22      VAL  69  -3.778  12.885  -6.943
  541   HG23  VAL  69          HG23      VAL  69  -3.339  11.240  -6.418
  542    H    GLU  70           H        GLU  70   1.315  11.469  -6.055
  543    HA   GLU  70           HA       GLU  70   2.687  13.782  -4.773
  544    HB2  GLU  70           HB2      GLU  70   3.044  11.745  -3.431
  545    HB3  GLU  70           HB3      GLU  70   3.619  10.877  -4.861
  546    HG2  GLU  70           HG2      GLU  70   5.518  12.419  -5.070
  547    HG3  GLU  70           HG3      GLU  70   4.895  13.407  -3.744
  548    H    ASN  71           H        ASN  71   3.768  14.946  -6.250
  549    HA   ASN  71           HA       ASN  71   4.226  13.973  -8.994
  550    HB2  ASN  71           HB2      ASN  71   3.909  16.370  -8.796
  551    HB3  ASN  71           HB3      ASN  71   5.097  16.473  -7.483
  552   HD21  ASN  71          HD22      ASN  71   6.467  17.981  -8.699
  553   HD22  ASN  71          HD21      ASN  71   7.408  17.393 -10.050
  554    H    ALA  72           H        ALA  72   5.733  12.386  -9.205
  555    HA   ALA  72           HA       ALA  72   7.678  11.904  -7.088
  556    HB1  ALA  72           HB1      ALA  72   8.286   9.985  -8.540
  557    HB2  ALA  72           HB2      ALA  72   6.540  10.073  -8.218
  558    HB3  ALA  72           HB3      ALA  72   7.178  10.618  -9.787
  559    H    GLY  73           H        GLY  73   7.684  13.576 -10.216
  560    HA2  GLY  73           HA2      GLY  73   9.685  15.180 -10.317
  561    HA3  GLY  73           HA3      GLY  73  10.658  13.699 -10.257
  562    H    GLY  74           H        GLY  74  11.409  14.548 -12.405
  563    HA2  GLY  74           HA2      GLY  74   9.600  14.020 -14.682
  564    HA3  GLY  74           HA3      GLY  74  11.303  14.488 -14.765
  565    H    LEU  75           H        LEU  75  10.096  12.251 -16.163
  566    HA   LEU  75           HA       LEU  75  10.655   9.728 -14.985
  567    HB2  LEU  75           HB2      LEU  75   9.359   9.915 -17.028
  568    HB3  LEU  75           HB3      LEU  75  10.689  10.713 -17.871
  569    HG   LEU  75           HG       LEU  75  12.028   8.644 -17.820
  570   HD11  LEU  75          HD11      LEU  75   9.582   7.394 -16.485
  571   HD12  LEU  75          HD12      LEU  75  10.989   6.500 -17.117
  572   HD13  LEU  75          HD13      LEU  75  11.185   7.606 -15.751
  573   HD21  LEU  75          HD21      LEU  75   9.239   8.067 -18.873
  574   HD22  LEU  75          HD22      LEU  75  10.429   9.108 -19.693
  575   HD23  LEU  75          HD23      LEU  75  10.770   7.392 -19.441
  576    H    LYS  76           H        LYS  76  12.770  11.996 -16.793
  577    HA   LYS  76           HA       LYS  76  15.096  10.293 -16.743
  578    HB2  LYS  76           HB2      LYS  76  14.843  13.330 -16.964
  579    HB3  LYS  76           HB3      LYS  76  16.320  12.424 -17.257
  580    HG2  LYS  76           HG2      LYS  76  13.757  12.153 -18.894
  581    HG3  LYS  76           HG3      LYS  76  15.175  13.106 -19.330
  582    HD2  LYS  76           HD2      LYS  76  16.559  11.006 -19.299
  583    HD3  LYS  76           HD3      LYS  76  15.068  10.071 -19.034
  584    HE2  LYS  76           HE2      LYS  76  14.121  10.938 -21.136
  585    HE3  LYS  76           HE3      LYS  76  15.543  11.961 -21.382
  586    HZ1  LYS  76           HZ1      LYS  76  16.874   9.929 -21.560
  587    HZ2  LYS  76           HZ2      LYS  76  15.537   8.989 -21.379
  588    HZ3  LYS  76           HZ3      LYS  76  15.697   9.956 -22.686
  589    H    ASP  77           H        ASP  77  13.644  12.455 -14.348
  590    HA   ASP  77           HA       ASP  77  16.110  12.744 -12.807
  591    HB2  ASP  77           HB2      ASP  77  14.462  14.558 -12.846
  592    HB3  ASP  77           HB3      ASP  77  13.236  13.488 -12.159
  593    H    ILE  78           H        ILE  78  13.019  10.813 -12.563
  594    HA   ILE  78           HA       ILE  78  13.629   9.694 -10.029
  595    HB   ILE  78           HB       ILE  78  11.921   8.855 -12.391
  596   HG12  ILE  78          HG12      ILE  78  11.150   9.851  -9.598
  597   HG13  ILE  78          HG13      ILE  78  11.448  10.947 -10.945
  598   HG21  ILE  78          HG21      ILE  78  12.400   6.761 -11.265
  599   HG22  ILE  78          HG22      ILE  78  12.035   7.480  -9.668
  600   HG23  ILE  78          HG23      ILE  78  10.760   7.234 -10.877
  601   HD11  ILE  78          HD11      ILE  78   9.241   8.892 -10.753
  602   HD12  ILE  78          HD12      ILE  78   9.157  10.660 -10.899
  603   HD13  ILE  78          HD13      ILE  78   9.719   9.691 -12.276
  604    H    ALA  79           H        ALA  79  14.808   7.948  -9.367
  605    HA   ALA  79           HA       ALA  79  16.591   6.705 -11.379
  606    HB1  ALA  79           HB1      ALA  79  17.661   8.161  -9.659
  607    HB2  ALA  79           HB2      ALA  79  17.010   7.105  -8.383
  608    HB3  ALA  79           HB3      ALA  79  18.205   6.479  -9.539
  609    H    MET  80           H        MET  80  13.928   5.803 -10.757
  610    HA   MET  80           HA       MET  80  14.205   3.159  -9.492
  611    HB2  MET  80           HB2      MET  80  11.971   4.440 -11.129
  612    HB3  MET  80           HB3      MET  80  11.901   2.795 -10.523
  613    HG2  MET  80           HG2      MET  80  12.234   5.257  -8.772
  614    HG3  MET  80           HG3      MET  80  10.703   4.453  -9.086
  615    HE1  MET  80           HE1      MET  80  10.902   1.141  -7.103
  616    HE2  MET  80           HE2      MET  80   9.872   2.284  -7.991
  617    HE3  MET  80           HE3      MET  80  11.140   1.373  -8.846
  618    HA   PRO  81           HA       PRO  81  15.573   1.004 -13.219
  619    HB2  PRO  81           HB2      PRO  81  13.324  -0.915 -12.580
  620    HB3  PRO  81           HB3      PRO  81  15.026  -1.279 -13.004
  621    HG2  PRO  81           HG2      PRO  81  14.198  -1.414 -10.427
  622    HG3  PRO  81           HG3      PRO  81  15.776  -0.655 -10.823
  623    HD2  PRO  81           HD2      PRO  81  13.132   0.699 -10.248
  624    HD3  PRO  81           HD3      PRO  81  14.771   1.107  -9.654
  625    H    LYS  82           H        LYS  82  14.868   0.627 -15.425
  626    HA   LYS  82           HA       LYS  82  12.103   1.395 -16.093
  627    HB2  LYS  82           HB2      LYS  82  14.604   2.635 -17.342
  628    HB3  LYS  82           HB3      LYS  82  12.941   2.923 -17.865
  629    HG2  LYS  82           HG2      LYS  82  12.412   3.987 -15.701
  630    HG3  LYS  82           HG3      LYS  82  14.053   3.640 -15.135
  631    HD2  LYS  82           HD2      LYS  82  14.955   5.053 -17.017
  632    HD3  LYS  82           HD3      LYS  82  13.289   5.505 -17.402
  633    HE2  LYS  82           HE2      LYS  82  14.254   7.241 -16.010
  634    HE3  LYS  82           HE3      LYS  82  13.016   6.403 -15.078
  635    HZ1  LYS  82           HZ1      LYS  82  15.934   5.927 -14.846
  636    HZ2  LYS  82           HZ2      LYS  82  15.024   6.797 -13.805
  637    HZ3  LYS  82           HZ3      LYS  82  14.786   5.172 -13.940
  638    H    VAL  83           H        VAL  83  11.436   0.633 -18.166
  639    HA   VAL  83           HA       VAL  83  13.238  -1.045 -19.761
  640    HB   VAL  83           HB       VAL  83  11.212  -2.634 -19.866
  641   HG11  VAL  83          HG11      VAL  83  12.846  -2.657 -17.296
  642   HG12  VAL  83          HG12      VAL  83  12.041  -4.045 -18.053
  643   HG13  VAL  83          HG13      VAL  83  13.399  -3.260 -18.874
  644   HG21  VAL  83          HG21      VAL  83   9.623  -1.249 -18.535
  645   HG22  VAL  83          HG22      VAL  83   9.796  -2.905 -17.937
  646   HG23  VAL  83          HG23      VAL  83  10.602  -1.576 -17.086
  647    H    LYS  84           H        LYS  84  12.244  -1.344 -21.956
  648    HA   LYS  84           HA       LYS  84  10.642   0.967 -22.778
  649    HB2  LYS  84           HB2      LYS  84  10.812   0.120 -25.013
  650    HB3  LYS  84           HB3      LYS  84  12.401   0.242 -24.248
  651    HG2  LYS  84           HG2      LYS  84  12.390  -2.179 -23.789
  652    HG3  LYS  84           HG3      LYS  84  10.788  -2.319 -24.546
  653    HD2  LYS  84           HD2      LYS  84  11.733  -1.520 -26.699
  654    HD3  LYS  84           HD3      LYS  84  13.350  -1.403 -25.935
  655    HE2  LYS  84           HE2      LYS  84  13.186  -3.767 -25.262
  656    HE3  LYS  84           HE3      LYS  84  11.592  -3.879 -26.014
  657    HZ1  LYS  84           HZ1      LYS  84  12.653  -3.461 -28.172
  658    HZ2  LYS  84           HZ2      LYS  84  14.129  -3.358 -27.475
  659    HZ3  LYS  84           HZ3      LYS  84  13.320  -4.771 -27.474
  660    H    GLY  85           H        GLY  85   8.557   0.847 -23.695
  661    HA2  GLY  85           HA2      GLY  85   6.611  -0.831 -22.568
  662    HA3  GLY  85           HA3      GLY  85   6.438   0.087 -24.075
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1  -1.209   2.077  -0.353
    2    H2   ALA   1           H2       ALA   1  -2.398   2.000  -1.473
    3    H3   ALA   1           H3       ALA   1  -2.148   0.723  -0.446
    4    HA   ALA   1           HA       ALA   1   0.025   0.358  -1.441
    5    HB1  ALA   1           HB1      ALA   1  -1.974  -0.866  -2.314
    6    HB2  ALA   1           HB2      ALA   1  -2.205   0.415  -3.523
    7    HB3  ALA   1           HB3      ALA   1  -0.742  -0.592  -3.546
    8    H    GLU   2           H        GLU   2   0.451   0.839  -4.242
    9    HA   GLU   2           HA       GLU   2   0.660   3.745  -4.560
   10    HB2  GLU   2           HB2      GLU   2   3.041   1.837  -4.712
   11    HB3  GLU   2           HB3      GLU   2   3.039   3.485  -5.351
   12    HG2  GLU   2           HG2      GLU   2   2.731   4.407  -3.105
   13    HG3  GLU   2           HG3      GLU   2   2.657   2.781  -2.415
   14    H    HIS   3           H        HIS   3   0.676   4.344  -6.690
   15    HA   HIS   3           HA       HIS   3   0.940   2.335  -8.828
   16    HB2  HIS   3           HB2      HIS   3  -1.358   4.310  -8.451
   17    HB3  HIS   3           HB3      HIS   3  -0.918   3.655 -10.024
   18    HD1  HIS   3           HD1      HIS   3  -2.573   2.501  -6.728
   19    HD2  HIS   3           HD2      HIS   3  -1.482   1.099 -10.563
   20    HE1  HIS   3           HE1      HIS   3  -3.744   0.277  -7.045
   21    H    TRP   4           H        TRP   4   1.570   3.429 -10.837
   22    HA   TRP   4           HA       TRP   4   2.819   6.096 -10.469
   23    HB2  TRP   4           HB2      TRP   4   4.044   3.609 -11.724
   24    HB3  TRP   4           HB3      TRP   4   4.704   5.230 -11.867
   25    HD1  TRP   4           HD1      TRP   4   6.273   6.045 -10.007
   26    HE1  TRP   4           HE1      TRP   4   7.235   5.052  -7.868
   27    HE3  TRP   4           HE3      TRP   4   3.337   1.858  -9.671
   28    HZ2  TRP   4           HZ2      TRP   4   6.680   2.808  -6.104
   29    HZ3  TRP   4           HZ3      TRP   4   3.564   0.323  -7.739
   30    HH2  TRP   4           HH2      TRP   4   5.232   0.786  -5.954
   31    H    ILE   5           H        ILE   5   2.464   7.399 -12.281
   32    HA   ILE   5           HA       ILE   5   1.066   6.136 -14.599
   33    HB   ILE   5           HB       ILE   5   0.422   8.880 -13.527
   34   HG12  ILE   5          HG12      ILE   5  -0.121   7.355 -11.654
   35   HG13  ILE   5          HG13      ILE   5  -1.501   8.174 -12.347
   36   HG21  ILE   5          HG21      ILE   5  -1.075   6.927 -15.312
   37   HG22  ILE   5          HG22      ILE   5  -1.658   8.535 -14.814
   38   HG23  ILE   5          HG23      ILE   5  -0.217   8.379 -15.832
   39   HD11  ILE   5          HD11      ILE   5  -1.927   5.790 -11.728
   40   HD12  ILE   5          HD12      ILE   5  -2.301   6.166 -13.413
   41   HD13  ILE   5          HD13      ILE   5  -0.816   5.284 -13.013
   42    H    ASP   6           H        ASP   6   2.045   6.534 -16.435
   43    HA   ASP   6           HA       ASP   6   4.083   8.683 -16.758
   44    HB2  ASP   6           HB2      ASP   6   4.764   6.688 -17.875
   45    HB3  ASP   6           HB3      ASP   6   3.121   6.322 -18.399
   46    H    VAL   7           H        VAL   7   3.058  10.590 -16.977
   47    HA   VAL   7           HA       VAL   7   0.418  10.618 -18.330
   48    HB   VAL   7           HB       VAL   7  -0.103  12.690 -17.310
   49   HG11  VAL   7          HG11      VAL   7   1.058  10.782 -15.240
   50   HG12  VAL   7          HG12      VAL   7  -0.154  12.044 -14.958
   51   HG13  VAL   7          HG13      VAL   7  -0.544  10.682 -16.012
   52   HG21  VAL   7          HG21      VAL   7   2.227  13.692 -17.311
   53   HG22  VAL   7          HG22      VAL   7   1.347  13.862 -15.800
   54   HG23  VAL   7          HG23      VAL   7   2.629  12.636 -15.935
   55    H    ARG   8           H        ARG   8   3.029  10.456 -19.851
   56    HA   ARG   8           HA       ARG   8   2.571  12.905 -21.509
   57    HB2  ARG   8           HB2      ARG   8   4.953  12.144 -20.346
   58    HB3  ARG   8           HB3      ARG   8   5.073  11.351 -21.915
   59    HG2  ARG   8           HG2      ARG   8   4.399  13.639 -22.946
   60    HG3  ARG   8           HG3      ARG   8   4.603  14.302 -21.320
   61    HD2  ARG   8           HD2      ARG   8   6.961  13.466 -21.336
   62    HD3  ARG   8           HD3      ARG   8   6.725  12.906 -23.004
   63    HE   ARG   8           HE       ARG   8   6.174  15.749 -22.283
   64   HH11  ARG   8          HH11      ARG   8   8.207  13.508 -24.175
   65   HH12  ARG   8          HH12      ARG   8   8.929  14.764 -25.105
   66   HH21  ARG   8          HH21      ARG   8   7.129  17.369 -23.487
   67   HH22  ARG   8          HH22      ARG   8   8.321  17.025 -24.686
   68    H    VAL   9           H        VAL   9   3.769  12.098 -23.835
   69    HA   VAL   9           HA       VAL   9   1.650  10.535 -24.994
   70    HB   VAL   9           HB       VAL   9   3.108  10.753 -27.073
   71   HG11  VAL   9          HG11      VAL   9   1.262  12.300 -26.564
   72   HG12  VAL   9          HG12      VAL   9   2.355  13.324 -25.611
   73   HG13  VAL   9          HG13      VAL   9   2.601  13.138 -27.360
   74   HG21  VAL   9          HG21      VAL   9   5.320  11.062 -25.846
   75   HG22  VAL   9          HG22      VAL   9   4.976  12.263 -27.100
   76   HG23  VAL   9          HG23      VAL   9   4.775  12.690 -25.397
   77    HA   PRO  10           HA       PRO  10   3.322   6.400 -24.723
   78    HB2  PRO  10           HB2      PRO  10   2.729   6.243 -27.682
   79    HB3  PRO  10           HB3      PRO  10   2.362   5.051 -26.394
   80    HG2  PRO  10           HG2      PRO  10   0.421   6.697 -27.328
   81    HG3  PRO  10           HG3      PRO  10   0.570   6.388 -25.567
   82    HD2  PRO  10           HD2      PRO  10   1.510   8.790 -27.141
   83    HD3  PRO  10           HD3      PRO  10   0.700   8.714 -25.545
   84    H    GLU  11           H        GLU  11   4.620   8.696 -27.077
   85    HA   GLU  11           HA       GLU  11   6.705   7.161 -28.155
   86    HB2  GLU  11           HB2      GLU  11   6.656  10.151 -27.569
   87    HB3  GLU  11           HB3      GLU  11   7.813   9.322 -28.614
   88    HG2  GLU  11           HG2      GLU  11   5.900   8.532 -30.043
   89    HG3  GLU  11           HG3      GLU  11   4.802   9.501 -29.057
   90    H    GLN  12           H        GLN  12   6.508   8.620 -24.882
   91    HA   GLN  12           HA       GLN  12   9.348   7.931 -24.423
   92    HB2  GLN  12           HB2      GLN  12   9.109   8.519 -22.166
   93    HB3  GLN  12           HB3      GLN  12   8.482   9.818 -23.164
   94    HG2  GLN  12           HG2      GLN  12   6.214   9.339 -22.505
   95    HG3  GLN  12           HG3      GLN  12   6.668   7.814 -21.744
   96   HE21  GLN  12          HE22      GLN  12   7.341   7.790 -19.602
   97   HE22  GLN  12          HE21      GLN  12   7.483   9.239 -18.649
   98    H    TYR  13           H        TYR  13   6.101   6.630 -23.646
   99    HA   TYR  13           HA       TYR  13   6.856   4.628 -21.915
  100    HB2  TYR  13           HB2      TYR  13   4.531   5.494 -22.534
  101    HB3  TYR  13           HB3      TYR  13   4.580   4.432 -23.922
  102    HD1  TYR  13           HD2      TYR  13   4.573   4.561 -20.200
  103    HD2  TYR  13           HD1      TYR  13   4.115   2.065 -23.692
  104    HE1  TYR  13           HE2      TYR  13   3.591   2.775 -18.790
  105    HE2  TYR  13           HE1      TYR  13   3.116   0.286 -22.297
  106    HH   TYR  13           HH       TYR  13   2.420  -0.336 -20.164
  107    H    GLN  14           H        GLN  14   6.663   4.497 -25.452
  108    HA   GLN  14           HA       GLN  14   7.167   1.728 -25.789
  109    HB2  GLN  14           HB2      GLN  14   7.629   4.175 -27.544
  110    HB3  GLN  14           HB3      GLN  14   7.955   2.533 -28.109
  111    HG2  GLN  14           HG2      GLN  14   5.251   3.570 -27.155
  112    HG3  GLN  14           HG3      GLN  14   5.726   3.337 -28.828
  113   HE21  GLN  14          HE22      GLN  14   3.688   2.007 -26.760
  114   HE22  GLN  14          HE21      GLN  14   3.883   0.309 -27.105
  115    H    GLN  15           H        GLN  15   9.499   4.506 -25.610
  116    HA   GLN  15           HA       GLN  15  11.691   2.671 -26.198
  117    HB2  GLN  15           HB2      GLN  15  13.169   4.590 -25.970
  118    HB3  GLN  15           HB3      GLN  15  11.857   4.849 -27.114
  119    HG2  GLN  15           HG2      GLN  15  10.652   6.170 -25.358
  120    HG3  GLN  15           HG3      GLN  15  12.077   6.047 -24.322
  121   HE21  GLN  15          HE22      GLN  15  10.525   7.797 -26.831
  122   HE22  GLN  15          HE21      GLN  15  11.868   8.837 -27.280
  123    H    GLU  16           H        GLU  16  10.586   4.476 -23.230
  124    HA   GLU  16           HA       GLU  16  11.161   2.196 -21.695
  125    HB2  GLU  16           HB2      GLU  16  12.882   2.901 -20.201
  126    HB3  GLU  16           HB3      GLU  16  13.516   2.972 -21.827
  127    HG2  GLU  16           HG2      GLU  16  12.905   5.522 -21.725
  128    HG3  GLU  16           HG3      GLU  16  12.799   5.252 -19.976
  129    H    HIS  17           H        HIS  17  10.011   2.251 -19.773
  130    HA   HIS  17           HA       HIS  17   9.088   4.851 -18.709
  131    HB2  HIS  17           HB2      HIS  17   6.869   3.855 -18.232
  132    HB3  HIS  17           HB3      HIS  17   7.171   4.081 -19.935
  133    HD1  HIS  17           HD1      HIS  17   7.396   1.776 -21.426
  134    HD2  HIS  17           HD2      HIS  17   6.447   1.386 -17.338
  135    HE1  HIS  17           HE1      HIS  17   6.577  -0.614 -21.087
  136    H    VAL  18           H        VAL  18   8.587   4.708 -16.454
  137    HA   VAL  18           HA       VAL  18  10.446   3.206 -14.893
  138    HB   VAL  18           HB       VAL  18   7.915   4.779 -14.244
  139   HG11  VAL  18          HG11      VAL  18   8.277   3.253 -12.370
  140   HG12  VAL  18          HG12      VAL  18  10.005   3.658 -12.326
  141   HG13  VAL  18          HG13      VAL  18   8.781   4.875 -11.895
  142   HG21  VAL  18          HG21      VAL  18   9.475   6.528 -13.548
  143   HG22  VAL  18          HG22      VAL  18  10.869   5.492 -13.947
  144   HG23  VAL  18          HG23      VAL  18   9.789   6.097 -15.219
  145    H    GLN  19           H        GLN  19  10.305   1.187 -14.036
  146    HA   GLN  19           HA       GLN  19   8.327  -0.617 -15.008
  147    HB2  GLN  19           HB2      GLN  19  10.767  -1.043 -14.243
  148    HB3  GLN  19           HB3      GLN  19  10.131  -1.104 -12.600
  149    HG2  GLN  19           HG2      GLN  19   9.369  -2.894 -14.958
  150    HG3  GLN  19           HG3      GLN  19  10.390  -3.344 -13.602
  151   HE21  GLN  19          HE22      GLN  19   7.119  -3.176 -14.756
  152   HE22  GLN  19          HE21      GLN  19   6.331  -3.624 -13.269
  153    H    GLY  20           H        GLY  20   6.257  -0.647 -14.382
  154    HA2  GLY  20           HA2      GLY  20   4.685  -1.182 -12.584
  155    HA3  GLY  20           HA3      GLY  20   5.495   0.020 -11.568
  156    H    ALA  21           H        ALA  21   5.672   1.570 -14.410
  157    HA   ALA  21           HA       ALA  21   3.287   3.171 -13.848
  158    HB1  ALA  21           HB1      ALA  21   5.338   3.517 -16.064
  159    HB2  ALA  21           HB2      ALA  21   4.169   4.735 -15.499
  160    HB3  ALA  21           HB3      ALA  21   5.493   4.213 -14.431
  161    H    ILE  22           H        ILE  22   1.896   3.910 -15.527
  162    HA   ILE  22           HA       ILE  22   1.394   2.117 -17.810
  163    HB   ILE  22           HB       ILE  22  -1.049   2.289 -17.270
  164   HG12  ILE  22          HG12      ILE  22  -0.128   3.105 -14.478
  165   HG13  ILE  22          HG13      ILE  22  -1.000   4.131 -15.618
  166   HG21  ILE  22          HG21      ILE  22   0.524   0.722 -15.191
  167   HG22  ILE  22          HG22      ILE  22  -1.065   0.323 -15.874
  168   HG23  ILE  22          HG23      ILE  22   0.368   0.246 -16.895
  169   HD11  ILE  22          HD11      ILE  22  -2.914   2.491 -15.531
  170   HD12  ILE  22          HD12      ILE  22  -2.046   1.634 -14.233
  171   HD13  ILE  22          HD13      ILE  22  -2.553   3.310 -13.993
  172    H    ASN  23           H        ASN  23   0.616   3.273 -19.600
  173    HA   ASN  23           HA       ASN  23   1.228   6.129 -19.530
  174    HB2  ASN  23           HB2      ASN  23   1.964   4.783 -21.439
  175    HB3  ASN  23           HB3      ASN  23   0.291   4.330 -21.802
  176   HD21  ASN  23          HD22      ASN  23   2.520   7.169 -21.500
  177   HD22  ASN  23          HD21      ASN  23   1.541   8.257 -22.447
  178    H    ILE  24           H        ILE  24  -0.241   7.554 -18.852
  179    HA   ILE  24           HA       ILE  24  -2.986   7.448 -19.935
  180    HB   ILE  24           HB       ILE  24  -2.520   8.053 -17.002
  181   HG12  ILE  24          HG12      ILE  24  -3.575   5.477 -18.233
  182   HG13  ILE  24          HG13      ILE  24  -2.121   5.664 -17.252
  183   HG21  ILE  24          HG21      ILE  24  -4.946   8.132 -16.912
  184   HG22  ILE  24          HG22      ILE  24  -4.415   9.178 -18.225
  185   HG23  ILE  24          HG23      ILE  24  -5.043   7.565 -18.601
  186   HD11  ILE  24          HD11      ILE  24  -3.788   4.720 -15.851
  187   HD12  ILE  24          HD12      ILE  24  -3.608   6.409 -15.335
  188   HD13  ILE  24          HD13      ILE  24  -5.003   5.910 -16.324
  189    HA   PRO  25           HA       PRO  25  -0.439  11.185 -20.740
  190    HB2  PRO  25           HB2      PRO  25  -2.680  11.637 -22.710
  191    HB3  PRO  25           HB3      PRO  25  -0.916  11.870 -22.933
  192    HG2  PRO  25           HG2      PRO  25  -2.128   9.659 -23.921
  193    HG3  PRO  25           HG3      PRO  25  -0.553   9.506 -23.076
  194    HD2  PRO  25           HD2      PRO  25  -3.323   9.007 -21.975
  195    HD3  PRO  25           HD3      PRO  25  -1.852   8.008 -21.808
  196    H    LEU  26           H        LEU  26  -0.648  13.402 -20.258
  197    HA   LEU  26           HA       LEU  26  -2.330  14.302 -18.323
  198    HB2  LEU  26           HB2      LEU  26  -0.252  15.405 -19.092
  199    HB3  LEU  26           HB3      LEU  26  -1.050  15.892 -20.587
  200    HG   LEU  26           HG       LEU  26  -2.626  17.329 -19.255
  201   HD11  LEU  26          HD11      LEU  26  -2.056  17.835 -16.900
  202   HD12  LEU  26          HD12      LEU  26  -2.496  16.134 -17.084
  203   HD13  LEU  26          HD13      LEU  26  -0.787  16.590 -16.938
  204   HD21  LEU  26          HD21      LEU  26   0.319  17.914 -18.770
  205   HD22  LEU  26          HD22      LEU  26  -0.575  18.261 -20.270
  206   HD23  LEU  26          HD23      LEU  26  -1.012  19.088 -18.769
  207    H    LYS  27           H        LYS  27  -3.025  14.393 -21.816
  208    HA   LYS  27           HA       LYS  27  -5.325  16.086 -21.673
  209    HB2  LYS  27           HB2      LYS  27  -4.574  13.961 -23.729
  210    HB3  LYS  27           HB3      LYS  27  -5.823  15.195 -23.936
  211    HG2  LYS  27           HG2      LYS  27  -4.076  16.974 -23.610
  212    HG3  LYS  27           HG3      LYS  27  -2.835  15.716 -23.603
  213    HD2  LYS  27           HD2      LYS  27  -4.752  16.308 -25.901
  214    HD3  LYS  27           HD3      LYS  27  -3.066  16.835 -25.798
  215    HE2  LYS  27           HE2      LYS  27  -2.325  14.457 -25.728
  216    HE3  LYS  27           HE3      LYS  27  -4.008  13.932 -25.875
  217    HZ1  LYS  27           HZ1      LYS  27  -2.896  13.925 -28.012
  218    HZ2  LYS  27           HZ2      LYS  27  -4.092  15.028 -28.038
  219    HZ3  LYS  27           HZ3      LYS  27  -2.536  15.509 -27.905
  220    H    GLU  28           H        GLU  28  -4.961  12.811 -20.629
  221    HA   GLU  28           HA       GLU  28  -7.910  12.334 -20.799
  222    HB2  GLU  28           HB2      GLU  28  -5.687  10.283 -21.029
  223    HB3  GLU  28           HB3      GLU  28  -7.430  10.040 -21.253
  224    HG2  GLU  28           HG2      GLU  28  -7.323  11.572 -23.245
  225    HG3  GLU  28           HG3      GLU  28  -5.559  11.590 -23.084
  226    H    VAL  29           H        VAL  29  -5.026  12.248 -18.781
  227    HA   VAL  29           HA       VAL  29  -5.659  10.515 -16.820
  228    HB   VAL  29           HB       VAL  29  -3.598  12.073 -17.148
  229   HG11  VAL  29          HG11      VAL  29  -3.400  14.019 -15.791
  230   HG12  VAL  29          HG12      VAL  29  -4.807  14.237 -16.840
  231   HG13  VAL  29          HG13      VAL  29  -5.029  13.823 -15.124
  232   HG21  VAL  29          HG21      VAL  29  -4.563  11.416 -14.345
  233   HG22  VAL  29          HG22      VAL  29  -3.711  10.321 -15.454
  234   HG23  VAL  29          HG23      VAL  29  -2.889  11.759 -14.832
  235    H    LYS  30           H        LYS  30  -7.258  13.655 -17.247
  236    HA   LYS  30           HA       LYS  30  -8.500  13.749 -14.696
  237    HB2  LYS  30           HB2      LYS  30  -8.156  15.617 -16.439
  238    HB3  LYS  30           HB3      LYS  30  -9.615  15.021 -17.234
  239    HG2  LYS  30           HG2      LYS  30 -10.974  15.550 -15.295
  240    HG3  LYS  30           HG3      LYS  30  -9.545  15.748 -14.277
  241    HD2  LYS  30           HD2      LYS  30  -8.907  17.735 -15.771
  242    HD3  LYS  30           HD3      LYS  30 -10.536  17.605 -16.472
  243    HE2  LYS  30           HE2      LYS  30 -11.526  17.864 -14.201
  244    HE3  LYS  30           HE3      LYS  30  -9.909  17.895 -13.492
  245    HZ1  LYS  30           HZ1      LYS  30 -11.110  19.966 -15.215
  246    HZ2  LYS  30           HZ2      LYS  30 -10.618  20.100 -13.648
  247    HZ3  LYS  30           HZ3      LYS  30  -9.516  19.944 -14.837
  248    H    GLU  31           H        GLU  31  -9.191  11.583 -17.280
  249    HA   GLU  31           HA       GLU  31 -11.869  10.978 -16.101
  250    HB2  GLU  31           HB2      GLU  31 -11.982  11.939 -18.379
  251    HB3  GLU  31           HB3      GLU  31 -10.808  10.757 -18.952
  252    HG2  GLU  31           HG2      GLU  31 -12.926  10.002 -19.654
  253    HG3  GLU  31           HG3      GLU  31 -12.405   8.929 -18.363
  254    H    ARG  32           H        ARG  32  -9.020   9.620 -17.868
  255    HA   ARG  32           HA       ARG  32  -9.757   6.922 -17.466
  256    HB2  ARG  32           HB2      ARG  32  -7.131   8.291 -18.094
  257    HB3  ARG  32           HB3      ARG  32  -7.274   6.526 -18.018
  258    HG2  ARG  32           HG2      ARG  32  -8.991   6.590 -19.821
  259    HG3  ARG  32           HG3      ARG  32  -8.844   8.351 -19.893
  260    HD2  ARG  32           HD2      ARG  32  -7.522   7.396 -21.682
  261    HD3  ARG  32           HD3      ARG  32  -6.439   8.127 -20.480
  262    HE   ARG  32           HE       ARG  32  -6.881   5.314 -19.975
  263   HH11  ARG  32          HH11      ARG  32  -5.115   7.389 -22.278
  264   HH12  ARG  32          HH12      ARG  32  -3.709   6.368 -22.280
  265   HH21  ARG  32          HH21      ARG  32  -4.990   3.984 -20.024
  266   HH22  ARG  32          HH22      ARG  32  -3.556   4.568 -20.795
  267    H    ILE  33           H        ILE  33  -8.105   9.062 -15.172
  268    HA   ILE  33           HA       ILE  33  -6.811   7.080 -13.647
  269    HB   ILE  33           HB       ILE  33  -6.522   9.523 -13.383
  270   HG12  ILE  33          HG12      ILE  33  -6.406   9.583 -10.888
  271   HG13  ILE  33          HG13      ILE  33  -7.255   8.041 -10.831
  272   HG21  ILE  33          HG21      ILE  33  -8.095  10.887 -12.134
  273   HG22  ILE  33          HG22      ILE  33  -8.948  10.179 -13.498
  274   HG23  ILE  33          HG23      ILE  33  -9.170   9.518 -11.870
  275   HD11  ILE  33          HD11      ILE  33  -5.387   6.938 -12.000
  276   HD12  ILE  33          HD12      ILE  33  -4.569   8.509 -12.202
  277   HD13  ILE  33          HD13      ILE  33  -4.796   7.817 -10.584
  278    H    ALA  34           H        ALA  34 -10.268   7.982 -13.781
  279    HA   ALA  34           HA       ALA  34 -11.058   6.656 -11.389
  280    HB1  ALA  34           HB1      ALA  34 -13.332   6.950 -12.269
  281    HB2  ALA  34           HB2      ALA  34 -12.382   8.425 -12.526
  282    HB3  ALA  34           HB3      ALA  34 -12.690   7.312 -13.883
  283    H    THR  35           H        THR  35 -10.077   5.316 -14.419
  284    HA   THR  35           HA       THR  35 -11.302   2.695 -13.764
  285    HB   THR  35           HB       THR  35 -10.906   2.428 -16.341
  286    HG1  THR  35           HG1      THR  35  -9.770   4.444 -16.571
  287   HG21  THR  35          HG21      THR  35 -13.138   2.546 -15.289
  288   HG22  THR  35          HG22      THR  35 -13.063   4.321 -15.307
  289   HG23  THR  35          HG23      THR  35 -13.105   3.410 -16.834
  290    H    ALA  36           H        ALA  36  -8.572   4.167 -13.085
  291    HA   ALA  36           HA       ALA  36  -6.840   1.815 -13.732
  292    HB1  ALA  36           HB1      ALA  36  -6.063   4.763 -13.754
  293    HB2  ALA  36           HB2      ALA  36  -4.974   3.385 -14.006
  294    HB3  ALA  36           HB3      ALA  36  -6.259   3.722 -15.184
  295    H    VAL  37           H        VAL  37  -7.531   4.547 -11.492
  296    HA   VAL  37           HA       VAL  37  -6.642   2.854  -9.250
  297    HB   VAL  37           HB       VAL  37  -5.877   5.766  -9.383
  298   HG11  VAL  37          HG11      VAL  37  -5.061   3.455  -7.557
  299   HG12  VAL  37          HG12      VAL  37  -4.456   5.115  -7.442
  300   HG13  VAL  37          HG13      VAL  37  -6.158   4.784  -7.127
  301   HG21  VAL  37          HG21      VAL  37  -3.526   5.040  -9.663
  302   HG22  VAL  37          HG22      VAL  37  -4.086   3.380  -9.962
  303   HG23  VAL  37          HG23      VAL  37  -4.500   4.692 -11.088
  304    HA   PRO  38           HA       PRO  38 -10.867   4.757  -9.372
  305    HB2  PRO  38           HB2      PRO  38 -12.337   2.636  -8.387
  306    HB3  PRO  38           HB3      PRO  38 -11.843   2.813 -10.097
  307    HG2  PRO  38           HG2      PRO  38 -10.479   1.200  -7.928
  308    HG3  PRO  38           HG3      PRO  38 -10.891   0.692  -9.598
  309    HD2  PRO  38           HD2      PRO  38  -8.399   1.547  -8.956
  310    HD3  PRO  38           HD3      PRO  38  -9.144   1.995 -10.521
  311    H    ASP  39           H        ASP  39  -9.256   3.104  -6.647
  312    HA   ASP  39           HA       ASP  39 -10.837   4.543  -4.622
  313    HB2  ASP  39           HB2      ASP  39 -10.000   2.376  -3.984
  314    HB3  ASP  39           HB3      ASP  39  -8.346   2.823  -4.423
  315    H    LYS  40           H        LYS  40 -10.588   6.726  -5.039
  316    HA   LYS  40           HA       LYS  40  -8.142   7.904  -5.794
  317    HB2  LYS  40           HB2      LYS  40  -9.196  10.034  -5.438
  318    HB3  LYS  40           HB3      LYS  40 -10.307   8.926  -6.237
  319    HG2  LYS  40           HG2      LYS  40 -11.571   8.631  -4.154
  320    HG3  LYS  40           HG3      LYS  40 -10.360   9.549  -3.247
  321    HD2  LYS  40           HD2      LYS  40 -12.275  10.965  -3.667
  322    HD3  LYS  40           HD3      LYS  40 -10.873  11.578  -4.552
  323    HE2  LYS  40           HE2      LYS  40 -11.738  10.473  -6.633
  324    HE3  LYS  40           HE3      LYS  40 -13.157   9.928  -5.727
  325    HZ1  LYS  40           HZ1      LYS  40 -13.693  12.284  -5.342
  326    HZ2  LYS  40           HZ2      LYS  40 -12.398  12.753  -6.242
  327    HZ3  LYS  40           HZ3      LYS  40 -13.636  11.944  -6.934
  328    H    ASN  41           H        ASN  41  -8.813   6.646  -2.694
  329    HA   ASN  41           HA       ASN  41  -7.211   8.634  -1.279
  330    HB2  ASN  41           HB2      ASN  41  -9.008   7.343  -0.126
  331    HB3  ASN  41           HB3      ASN  41  -8.069   5.867  -0.384
  332   HD21  ASN  41          HD22      ASN  41  -7.016   5.277   1.505
  333   HD22  ASN  41          HD21      ASN  41  -6.297   6.395   2.632
  334    H    ASP  42           H        ASP  42  -6.527   5.936  -3.356
  335    HA   ASP  42           HA       ASP  42  -4.193   4.960  -1.992
  336    HB2  ASP  42           HB2      ASP  42  -5.587   3.675  -3.646
  337    HB3  ASP  42           HB3      ASP  42  -4.919   4.697  -4.930
  338    H    THR  43           H        THR  43  -1.923   5.078  -2.836
  339    HA   THR  43           HA       THR  43  -1.202   7.823  -3.328
  340    HB   THR  43           HB       THR  43   0.703   5.491  -3.528
  341    HG1  THR  43           HG1      THR  43   0.006   4.898  -1.700
  342   HG21  THR  43          HG21      THR  43   1.614   7.744  -3.928
  343   HG22  THR  43          HG22      THR  43   1.009   8.276  -2.345
  344   HG23  THR  43          HG23      THR  43   2.272   7.028  -2.450
  345    H    VAL  44           H        VAL  44  -0.627   8.802  -5.276
  346    HA   VAL  44           HA       VAL  44  -0.375   7.086  -7.711
  347    HB   VAL  44           HB       VAL  44  -2.059   9.623  -7.518
  348   HG11  VAL  44          HG11      VAL  44  -1.659   7.648  -9.812
  349   HG12  VAL  44          HG12      VAL  44  -2.733   9.060  -9.829
  350   HG13  VAL  44          HG13      VAL  44  -0.988   9.295  -9.746
  351   HG21  VAL  44          HG21      VAL  44  -3.288   7.807  -6.457
  352   HG22  VAL  44          HG22      VAL  44  -3.980   8.098  -8.052
  353   HG23  VAL  44          HG23      VAL  44  -2.895   6.711  -7.798
  354    H    LYS  45           H        LYS  45   1.767   7.262  -7.965
  355    HA   LYS  45           HA       LYS  45   3.084   9.888  -7.764
  356    HB2  LYS  45           HB2      LYS  45   4.003   7.049  -8.309
  357    HB3  LYS  45           HB3      LYS  45   5.059   8.432  -8.650
  358    HG2  LYS  45           HG2      LYS  45   4.949   9.216  -6.374
  359    HG3  LYS  45           HG3      LYS  45   3.697   8.038  -5.948
  360    HD2  LYS  45           HD2      LYS  45   5.244   6.190  -6.201
  361    HD3  LYS  45           HD3      LYS  45   6.528   7.287  -6.780
  362    HE2  LYS  45           HE2      LYS  45   6.585   8.457  -4.653
  363    HE3  LYS  45           HE3      LYS  45   5.157   7.590  -4.074
  364    HZ1  LYS  45           HZ1      LYS  45   7.229   6.706  -3.174
  365    HZ2  LYS  45           HZ2      LYS  45   6.386   5.575  -3.997
  366    HZ3  LYS  45           HZ3      LYS  45   7.737   6.267  -4.662
  367    H    VAL  46           H        VAL  46   3.337  11.224  -9.468
  368    HA   VAL  46           HA       VAL  46   2.799  10.165 -12.215
  369    HB   VAL  46           HB       VAL  46   1.751  12.282 -12.770
  370   HG11  VAL  46          HG11      VAL  46   0.428  11.134 -10.277
  371   HG12  VAL  46          HG12      VAL  46  -0.355  11.952 -11.642
  372   HG13  VAL  46          HG13      VAL  46   0.386  10.363 -11.873
  373   HG21  VAL  46          HG21      VAL  46   1.039  13.903 -11.069
  374   HG22  VAL  46          HG22      VAL  46   1.940  13.035  -9.815
  375   HG23  VAL  46          HG23      VAL  46   2.796  13.837 -11.155
  376    H    TYR  47           H        TYR  47   4.202  10.655 -13.821
  377    HA   TYR  47           HA       TYR  47   6.268  12.668 -13.471
  378    HB2  TYR  47           HB2      TYR  47   8.147  11.194 -13.653
  379    HB3  TYR  47           HB3      TYR  47   7.096  10.496 -12.447
  380    HD1  TYR  47           HD2      TYR  47   5.595   8.515 -13.073
  381    HD2  TYR  47           HD1      TYR  47   8.610  10.078 -15.726
  382    HE1  TYR  47           HE2      TYR  47   5.456   6.470 -14.426
  383    HE2  TYR  47           HE1      TYR  47   8.492   8.004 -17.080
  384    HH   TYR  47           HH       TYR  47   6.243   5.352 -16.352
  385    H    CYS  48           H        CYS  48   7.466  12.932 -15.594
  386    HA   CYS  48           HA       CYS  48   6.423  11.685 -17.997
  387    HB2  CYS  48           HB2      CYS  48   5.759  13.816 -19.066
  388    HB3  CYS  48           HB3      CYS  48   4.760  13.523 -17.637
  389    HG   CYS  48           HG       CYS  48   6.275  14.987 -16.013
  390    H    ASN  49           H        ASN  49   7.915  12.350 -19.847
  391    HA   ASN  49           HA       ASN  49  10.592  12.534 -19.226
  392    HB2  ASN  49           HB2      ASN  49   9.664  11.987 -21.469
  393    HB3  ASN  49           HB3      ASN  49   9.244  13.684 -21.698
  394   HD21  ASN  49          HD22      ASN  49  10.773  14.829 -22.900
  395   HD22  ASN  49          HD21      ASN  49  12.474  14.458 -22.935
  396    H    ALA  50           H        ALA  50   8.352  15.279 -19.425
  397    HA   ALA  50           HA       ALA  50  10.491  17.252 -19.515
  398    HB1  ALA  50           HB1      ALA  50   7.473  17.560 -19.201
  399    HB2  ALA  50           HB2      ALA  50   8.631  18.859 -19.558
  400    HB3  ALA  50           HB3      ALA  50   8.373  17.561 -20.735
  401    H    GLY  51           H        GLY  51   8.936  15.583 -16.840
  402    HA2  GLY  51           HA2      GLY  51   8.731  16.029 -14.629
  403    HA3  GLY  51           HA3      GLY  51  10.178  17.039 -14.776
  404    H    ARG  52           H        ARG  52   7.015  17.538 -16.356
  405    HA   ARG  52           HA       ARG  52   6.465  19.990 -14.763
  406    HB2  ARG  52           HB2      ARG  52   7.917  20.813 -16.526
  407    HB3  ARG  52           HB3      ARG  52   7.072  19.879 -17.746
  408    HG2  ARG  52           HG2      ARG  52   6.484  22.128 -18.052
  409    HG3  ARG  52           HG3      ARG  52   5.045  21.319 -17.467
  410    HD2  ARG  52           HD2      ARG  52   6.927  22.860 -15.613
  411    HD3  ARG  52           HD3      ARG  52   5.696  23.675 -16.559
  412    HE   ARG  52           HE       ARG  52   3.953  22.451 -15.431
  413   HH11  ARG  52          HH11      ARG  52   7.096  22.381 -13.762
  414   HH12  ARG  52          HH12      ARG  52   6.397  22.227 -12.196
  415   HH21  ARG  52          HH21      ARG  52   3.048  22.364 -13.405
  416   HH22  ARG  52          HH22      ARG  52   4.026  22.230 -11.974
  417    H    GLN  53           H        GLN  53   5.422  18.148 -17.690
  418    HA   GLN  53           HA       GLN  53   2.667  18.740 -17.444
  419    HB2  GLN  53           HB2      GLN  53   4.031  16.298 -18.660
  420    HB3  GLN  53           HB3      GLN  53   2.367  16.800 -18.952
  421    HG2  GLN  53           HG2      GLN  53   3.169  18.913 -19.969
  422    HG3  GLN  53           HG3      GLN  53   4.845  18.456 -19.633
  423   HE21  GLN  53          HE21      GLN  53   1.929  17.297 -21.451
  424   HE22  GLN  53          HE22      GLN  53   2.860  16.556 -22.726
  425    H    SER  54           H        SER  54   4.683  16.366 -15.744
  426    HA   SER  54           HA       SER  54   2.592  14.880 -14.488
  427    HB2  SER  54           HB2      SER  54   4.577  14.429 -12.909
  428    HB3  SER  54           HB3      SER  54   4.638  13.896 -14.590
  429    HG   SER  54           HG       SER  54   6.610  15.023 -13.789
  430    H    GLY  55           H        GLY  55   4.332  17.893 -13.585
  431    HA2  GLY  55           HA2      GLY  55   3.075  18.278 -11.044
  432    HA3  GLY  55           HA3      GLY  55   3.731  19.536 -12.114
  433    H    GLN  56           H        GLN  56   2.110  19.146 -14.417
  434    HA   GLN  56           HA       GLN  56  -0.256  20.532 -13.687
  435    HB2  GLN  56           HB2      GLN  56   0.195  18.985 -16.235
  436    HB3  GLN  56           HB3      GLN  56  -1.032  20.217 -15.952
  437    HG2  GLN  56           HG2      GLN  56   1.966  20.598 -15.894
  438    HG3  GLN  56           HG3      GLN  56   0.884  21.154 -17.177
  439   HE21  GLN  56          HE22      GLN  56  -0.941  22.752 -16.271
  440   HE22  GLN  56          HE21      GLN  56  -0.372  23.924 -15.112
  441    H    ALA  57           H        ALA  57   0.242  17.068 -14.624
  442    HA   ALA  57           HA       ALA  57  -2.436  16.241 -14.238
  443    HB1  ALA  57           HB1      ALA  57   0.124  14.640 -13.817
  444    HB2  ALA  57           HB2      ALA  57  -1.507  13.968 -13.996
  445    HB3  ALA  57           HB3      ALA  57  -0.759  14.825 -15.356
  446    H    LYS  58           H        LYS  58   0.177  16.765 -11.905
  447    HA   LYS  58           HA       LYS  58  -1.134  15.434  -9.721
  448    HB2  LYS  58           HB2      LYS  58   1.305  16.108  -9.818
  449    HB3  LYS  58           HB3      LYS  58   0.831  17.768  -9.459
  450    HG2  LYS  58           HG2      LYS  58  -0.024  15.460  -7.689
  451    HG3  LYS  58           HG3      LYS  58   1.592  16.134  -7.546
  452    HD2  LYS  58           HD2      LYS  58   0.836  18.220  -6.765
  453    HD3  LYS  58           HD3      LYS  58  -0.815  17.965  -7.334
  454    HE2  LYS  58           HE2      LYS  58  -1.040  16.044  -5.736
  455    HE3  LYS  58           HE3      LYS  58   0.547  16.468  -5.056
  456    HZ1  LYS  58           HZ1      LYS  58  -1.198  17.459  -3.758
  457    HZ2  LYS  58           HZ2      LYS  58  -0.458  18.686  -4.546
  458    HZ3  LYS  58           HZ3      LYS  58  -1.913  18.110  -5.074
  459    H    GLU  59           H        GLU  59  -1.192  18.854 -10.857
  460    HA   GLU  59           HA       GLU  59  -3.011  19.747  -8.842
  461    HB2  GLU  59           HB2      GLU  59  -2.440  20.791 -11.648
  462    HB3  GLU  59           HB3      GLU  59  -3.476  21.615 -10.488
  463    HG2  GLU  59           HG2      GLU  59  -0.528  20.978 -10.033
  464    HG3  GLU  59           HG3      GLU  59  -1.162  22.523 -10.575
  465    H    ILE  60           H        ILE  60  -3.603  18.337 -12.114
  466    HA   ILE  60           HA       ILE  60  -6.423  18.641 -12.116
  467    HB   ILE  60           HB       ILE  60  -4.637  16.494 -13.335
  468   HG12  ILE  60          HG12      ILE  60  -6.094  18.873 -14.581
  469   HG13  ILE  60          HG13      ILE  60  -4.377  18.820 -14.209
  470   HG21  ILE  60          HG21      ILE  60  -6.558  15.808 -14.728
  471   HG22  ILE  60          HG22      ILE  60  -6.886  15.510 -13.041
  472   HG23  ILE  60          HG23      ILE  60  -7.601  16.934 -13.821
  473   HD11  ILE  60          HD11      ILE  60  -4.231  16.772 -15.762
  474   HD12  ILE  60          HD12      ILE  60  -5.851  17.224 -16.327
  475   HD13  ILE  60          HD13      ILE  60  -4.509  18.358 -16.521
  476    H    LEU  61           H        LEU  61  -4.441  15.865 -10.896
  477    HA   LEU  61           HA       LEU  61  -6.781  14.469  -9.991
  478    HB2  LEU  61           HB2      LEU  61  -3.848  14.132  -9.280
  479    HB3  LEU  61           HB3      LEU  61  -5.136  13.006  -8.825
  480    HG   LEU  61           HG       LEU  61  -4.180  13.617 -11.654
  481   HD11  LEU  61          HD11      LEU  61  -3.563  11.245 -11.676
  482   HD12  LEU  61          HD12      LEU  61  -2.741  12.097 -10.364
  483   HD13  LEU  61          HD13      LEU  61  -4.144  11.063 -10.003
  484   HD21  LEU  61          HD21      LEU  61  -6.547  13.326 -11.870
  485   HD22  LEU  61          HD22      LEU  61  -5.782  11.829 -12.370
  486   HD23  LEU  61          HD23      LEU  61  -6.536  11.939 -10.757
  487    H    SER  62           H        SER  62  -4.707  16.874  -8.434
  488    HA   SER  62           HA       SER  62  -5.757  16.533  -5.777
  489    HB2  SER  62           HB2      SER  62  -4.669  19.052  -7.099
  490    HB3  SER  62           HB3      SER  62  -4.868  18.763  -5.363
  491    HG   SER  62           HG       SER  62  -3.167  17.364  -7.175
  492    H    GLU  63           H        GLU  63  -6.822  18.525  -8.621
  493    HA   GLU  63           HA       GLU  63  -9.009  19.778  -7.277
  494    HB2  GLU  63           HB2      GLU  63  -8.013  20.528  -9.430
  495    HB3  GLU  63           HB3      GLU  63  -8.690  19.110 -10.237
  496    HG2  GLU  63           HG2      GLU  63 -10.977  19.861  -9.676
  497    HG3  GLU  63           HG3      GLU  63 -10.317  21.254  -8.814
  498    H    MET  64           H        MET  64  -8.680  16.656  -8.987
  499    HA   MET  64           HA       MET  64 -11.443  15.861  -8.649
  500    HB2  MET  64           HB2      MET  64  -8.930  14.235  -9.198
  501    HB3  MET  64           HB3      MET  64 -10.577  13.602  -9.234
  502    HG2  MET  64           HG2      MET  64 -11.163  15.155 -11.054
  503    HG3  MET  64           HG3      MET  64  -9.538  15.833 -11.013
  504    HE1  MET  64           HE1      MET  64 -11.847  12.984 -12.179
  505    HE2  MET  64           HE2      MET  64 -10.738  11.685 -12.657
  506    HE3  MET  64           HE3      MET  64 -10.964  12.063 -10.939
  507    H    GLY  65           H        GLY  65  -9.093  16.337  -6.267
  508    HA2  GLY  65           HA2      GLY  65  -9.351  16.043  -4.030
  509    HA3  GLY  65           HA3      GLY  65 -10.805  15.076  -4.315
  510    H    TYR  66           H        TYR  66  -7.848  14.036  -5.944
  511    HA   TYR  66           HA       TYR  66  -7.738  11.562  -4.390
  512    HB2  TYR  66           HB2      TYR  66  -5.981  12.782  -6.545
  513    HB3  TYR  66           HB3      TYR  66  -5.551  11.314  -5.677
  514    HD1  TYR  66           HD2      TYR  66  -8.602  12.655  -7.496
  515    HD2  TYR  66           HD1      TYR  66  -5.959   9.320  -6.790
  516    HE1  TYR  66           HE2      TYR  66 -10.015  11.245  -8.938
  517    HE2  TYR  66           HE1      TYR  66  -7.349   7.911  -8.279
  518    HH   TYR  66           HH       TYR  66 -10.405   9.103  -9.753
  519    H    THR  67           H        THR  67  -6.609  11.302  -2.480
  520    HA   THR  67           HA       THR  67  -5.635  13.746  -1.272
  521    HB   THR  67           HB       THR  67  -5.522  12.134   0.747
  522    HG1  THR  67           HG1      THR  67  -6.526  10.165   0.427
  523   HG21  THR  67          HG21      THR  67  -8.187  12.404  -0.731
  524   HG22  THR  67          HG22      THR  67  -7.965  12.098   1.006
  525   HG23  THR  67          HG23      THR  67  -7.455  13.645   0.310
  526    H    HIS  68           H        HIS  68  -4.064  10.945  -2.681
  527    HA   HIS  68           HA       HIS  68  -1.471  11.752  -1.445
  528    HB2  HIS  68           HB2      HIS  68  -2.576   8.945  -1.821
  529    HB3  HIS  68           HB3      HIS  68  -0.960   9.341  -1.228
  530    HD1  HIS  68           HD1      HIS  68  -4.289   8.569   0.099
  531    HD2  HIS  68           HD2      HIS  68  -1.057  11.066   1.131
  532    HE1  HIS  68           HE1      HIS  68  -4.602   9.169   2.556
  533    H    VAL  69           H        VAL  69  -2.346  12.682  -3.950
  534    HA   VAL  69           HA       VAL  69  -0.876  11.193  -5.990
  535    HB   VAL  69           HB       VAL  69  -1.535  14.142  -6.150
  536   HG11  VAL  69          HG11      VAL  69  -1.459  11.916  -8.243
  537   HG12  VAL  69          HG12      VAL  69  -1.744  13.638  -8.557
  538   HG13  VAL  69          HG13      VAL  69  -0.171  13.097  -7.969
  539   HG21  VAL  69          HG21      VAL  69  -3.517  11.941  -6.817
  540   HG22  VAL  69          HG22      VAL  69  -3.658  13.076  -5.447
  541   HG23  VAL  69          HG23      VAL  69  -3.710  13.699  -7.070
  542    H    GLU  70           H        GLU  70   1.312  11.733  -6.634
  543    HA   GLU  70           HA       GLU  70   2.688  13.911  -5.170
  544    HB2  GLU  70           HB2      GLU  70   3.050  11.869  -3.825
  545    HB3  GLU  70           HB3      GLU  70   3.652  11.012  -5.249
  546    HG2  GLU  70           HG2      GLU  70   5.554  12.560  -5.422
  547    HG3  GLU  70           HG3      GLU  70   4.904  13.555  -4.117
  548    H    ASN  71           H        ASN  71   3.822  15.081  -6.661
  549    HA   ASN  71           HA       ASN  71   4.288  13.964  -9.348
  550    HB2  ASN  71           HB2      ASN  71   3.804  16.310  -9.349
  551    HB3  ASN  71           HB3      ASN  71   4.996  16.630  -8.077
  552   HD21  ASN  71          HD22      ASN  71   5.368  14.547 -11.069
  553   HD22  ASN  71          HD21      ASN  71   6.665  15.521 -11.711
  554    H    ALA  72           H        ALA  72   5.646  12.245  -9.138
  555    HA   ALA  72           HA       ALA  72   7.828  12.049  -7.311
  556    HB1  ALA  72           HB1      ALA  72   6.816  10.086  -8.356
  557    HB2  ALA  72           HB2      ALA  72   7.308  10.647  -9.972
  558    HB3  ALA  72           HB3      ALA  72   8.535  10.163  -8.781
  559    H    GLY  73           H        GLY  73   7.550  13.383 -10.595
  560    HA2  GLY  73           HA2      GLY  73   9.128  15.432 -10.717
  561    HA3  GLY  73           HA3      GLY  73  10.407  14.196 -10.672
  562    H    GLY  74           H        GLY  74  11.007  13.382 -12.568
  563    HA2  GLY  74           HA2      GLY  74   9.075  13.051 -14.725
  564    HA3  GLY  74           HA3      GLY  74  10.476  14.082 -15.075
  565    H    LEU  75           H        LEU  75  10.295  11.957 -16.623
  566    HA   LEU  75           HA       LEU  75  11.140   9.452 -15.573
  567    HB2  LEU  75           HB2      LEU  75  10.005   9.697 -17.757
  568    HB3  LEU  75           HB3      LEU  75  11.363  10.626 -18.385
  569    HG   LEU  75           HG       LEU  75  12.828   8.678 -18.321
  570   HD11  LEU  75          HD11      LEU  75  10.420   7.074 -17.356
  571   HD12  LEU  75          HD12      LEU  75  11.989   6.429 -17.823
  572   HD13  LEU  75          HD13      LEU  75  11.854   7.448 -16.378
  573   HD21  LEU  75          HD21      LEU  75  11.448   9.133 -20.315
  574   HD22  LEU  75          HD22      LEU  75  11.752   7.404 -20.109
  575   HD23  LEU  75          HD23      LEU  75  10.171   8.075 -19.677
  576    H    LYS  76           H        LYS  76  13.032  12.222 -16.812
  577    HA   LYS  76           HA       LYS  76  15.576  10.891 -16.792
  578    HB2  LYS  76           HB2      LYS  76  15.017  12.999 -18.024
  579    HB3  LYS  76           HB3      LYS  76  14.887  13.850 -16.474
  580    HG2  LYS  76           HG2      LYS  76  17.269  13.408 -16.014
  581    HG3  LYS  76           HG3      LYS  76  17.381  12.409 -17.471
  582    HD2  LYS  76           HD2      LYS  76  18.377  14.567 -17.901
  583    HD3  LYS  76           HD3      LYS  76  16.908  14.402 -18.875
  584    HE2  LYS  76           HE2      LYS  76  15.659  15.781 -17.225
  585    HE3  LYS  76           HE3      LYS  76  17.107  15.900 -16.217
  586    HZ1  LYS  76           HZ1      LYS  76  18.188  17.099 -18.028
  587    HZ2  LYS  76           HZ2      LYS  76  16.851  16.986 -18.964
  588    HZ3  LYS  76           HZ3      LYS  76  16.818  17.861 -17.591
  589    H    ASP  77           H        ASP  77  13.607  12.511 -14.297
  590    HA   ASP  77           HA       ASP  77  15.822  12.748 -12.422
  591    HB2  ASP  77           HB2      ASP  77  13.999  14.399 -12.455
  592    HB3  ASP  77           HB3      ASP  77  12.834  13.141 -12.024
  593    H    ILE  78           H        ILE  78  12.882  10.573 -12.745
  594    HA   ILE  78           HA       ILE  78  13.391   9.163 -10.342
  595    HB   ILE  78           HB       ILE  78  12.008   8.412 -12.942
  596   HG12  ILE  78          HG12      ILE  78  10.825   9.077 -10.201
  597   HG13  ILE  78          HG13      ILE  78  11.157  10.324 -11.399
  598   HG21  ILE  78          HG21      ILE  78  12.047   6.860 -10.309
  599   HG22  ILE  78          HG22      ILE  78  10.877   6.578 -11.599
  600   HG23  ILE  78          HG23      ILE  78  12.573   6.288 -11.925
  601   HD11  ILE  78          HD11      ILE  78   9.709   9.168 -13.039
  602   HD12  ILE  78          HD12      ILE  78   9.221   8.019 -11.755
  603   HD13  ILE  78          HD13      ILE  78   8.885   9.735 -11.559
  604    H    ALA  79           H        ALA  79  14.594   7.359  -9.821
  605    HA   ALA  79           HA       ALA  79  16.409   6.227 -11.880
  606    HB1  ALA  79           HB1      ALA  79  18.204   6.189 -10.196
  607    HB2  ALA  79           HB2      ALA  79  17.609   7.845 -10.407
  608    HB3  ALA  79           HB3      ALA  79  17.113   6.897  -8.984
  609    H    MET  80           H        MET  80  13.854   5.335 -10.945
  610    HA   MET  80           HA       MET  80  14.227   2.794  -9.495
  611    HB2  MET  80           HB2      MET  80  11.945   4.034 -11.102
  612    HB3  MET  80           HB3      MET  80  11.864   2.415 -10.427
  613    HG2  MET  80           HG2      MET  80  12.103   3.272  -8.159
  614    HG3  MET  80           HG3      MET  80  12.330   4.911  -8.765
  615    HE1  MET  80           HE1      MET  80   9.806   1.920  -8.328
  616    HE2  MET  80           HE2      MET  80   8.294   2.597  -8.968
  617    HE3  MET  80           HE3      MET  80   9.621   2.218 -10.074
  618    HA   PRO  81           HA       PRO  81  15.167   0.321 -13.189
  619    HB2  PRO  81           HB2      PRO  81  12.657  -1.236 -12.531
  620    HB3  PRO  81           HB3      PRO  81  14.277  -1.855 -12.978
  621    HG2  PRO  81           HG2      PRO  81  13.485  -1.865 -10.388
  622    HG3  PRO  81           HG3      PRO  81  15.148  -1.337 -10.808
  623    HD2  PRO  81           HD2      PRO  81  12.729   0.371 -10.199
  624    HD3  PRO  81           HD3      PRO  81  14.416   0.560  -9.628
  625    H    LYS  82           H        LYS  82  14.439   0.152 -15.397
  626    HA   LYS  82           HA       LYS  82  11.815   1.334 -16.089
  627    HB2  LYS  82           HB2      LYS  82  14.530   2.241 -17.152
  628    HB3  LYS  82           HB3      LYS  82  12.979   2.692 -17.871
  629    HG2  LYS  82           HG2      LYS  82  12.318   3.961 -15.944
  630    HG3  LYS  82           HG3      LYS  82  13.646   3.312 -14.980
  631    HD2  LYS  82           HD2      LYS  82  15.267   4.441 -16.558
  632    HD3  LYS  82           HD3      LYS  82  13.874   5.280 -17.276
  633    HE2  LYS  82           HE2      LYS  82  13.274   6.123 -14.968
  634    HE3  LYS  82           HE3      LYS  82  14.673   5.262 -14.319
  635    HZ1  LYS  82           HZ1      LYS  82  16.054   6.725 -15.807
  636    HZ2  LYS  82           HZ2      LYS  82  14.693   7.639 -16.068
  637    HZ3  LYS  82           HZ3      LYS  82  15.279   7.489 -14.575
  638    H    VAL  83           H        VAL  83  11.040   0.574 -18.117
  639    HA   VAL  83           HA       VAL  83  12.528  -1.614 -19.442
  640    HB   VAL  83           HB       VAL  83  10.257  -2.794 -19.316
  641   HG11  VAL  83          HG11      VAL  83  10.758  -3.892 -17.194
  642   HG12  VAL  83          HG12      VAL  83  12.263  -3.556 -18.063
  643   HG13  VAL  83          HG13      VAL  83  11.783  -2.534 -16.690
  644   HG21  VAL  83          HG21      VAL  83   8.767  -2.370 -17.465
  645   HG22  VAL  83          HG22      VAL  83   9.778  -1.034 -16.877
  646   HG23  VAL  83          HG23      VAL  83   8.917  -0.890 -18.420
  647    H    LYS  84           H        LYS  84  11.767  -1.999 -21.601
  648    HA   LYS  84           HA       LYS  84  10.666   0.340 -22.940
  649    HB2  LYS  84           HB2      LYS  84  10.871  -0.981 -24.978
  650    HB3  LYS  84           HB3      LYS  84  12.364  -0.976 -24.048
  651    HG2  LYS  84           HG2      LYS  84  11.930  -3.270 -23.255
  652    HG3  LYS  84           HG3      LYS  84  10.336  -3.259 -24.007
  653    HD2  LYS  84           HD2      LYS  84  11.859  -4.533 -25.397
  654    HD3  LYS  84           HD3      LYS  84  11.328  -3.085 -26.237
  655    HE2  LYS  84           HE2      LYS  84  13.649  -3.369 -26.705
  656    HE3  LYS  84           HE3      LYS  84  13.495  -1.963 -25.656
  657    HZ1  LYS  84           HZ1      LYS  84  15.314  -3.418 -24.992
  658    HZ2  LYS  84           HZ2      LYS  84  14.211  -3.372 -23.797
  659    HZ3  LYS  84           HZ3      LYS  84  14.311  -4.680 -24.777
  660    H    GLY  85           H        GLY  85   8.822   0.120 -24.459
  661    HA2  GLY  85           HA2      GLY  85   6.344  -0.439 -23.261
  662    HA3  GLY  85           HA3      GLY  85   6.648  -0.301 -24.996
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1   0.668   2.101  -0.134
    2    H2   ALA   1           H2       ALA   1  -0.791   2.761   0.213
    3    H3   ALA   1           H3       ALA   1  -0.477   1.197   0.638
    4    HA   ALA   1           HA       ALA   1  -0.283   0.562  -1.654
    5    HB1  ALA   1           HB1      ALA   1  -2.901   2.050  -1.149
    6    HB2  ALA   1           HB2      ALA   1  -2.624   0.716  -2.292
    7    HB3  ALA   1           HB3      ALA   1  -2.524   0.415  -0.555
    8    H    GLU   2           H        GLU   2   0.457   1.243  -3.652
    9    HA   GLU   2           HA       GLU   2   0.103   4.066  -4.425
   10    HB2  GLU   2           HB2      GLU   2   2.829   2.733  -4.617
   11    HB3  GLU   2           HB3      GLU   2   2.402   4.410  -4.880
   12    HG2  GLU   2           HG2      GLU   2   3.551   4.521  -2.905
   13    HG3  GLU   2           HG3      GLU   2   1.895   4.500  -2.327
   14    H    HIS   3           H        HIS   3   0.555   4.431  -6.652
   15    HA   HIS   3           HA       HIS   3   1.145   2.170  -8.443
   16    HB2  HIS   3           HB2      HIS   3  -1.267   4.031  -8.697
   17    HB3  HIS   3           HB3      HIS   3  -0.584   3.162 -10.064
   18    HD1  HIS   3           HD1      HIS   3  -2.254   2.324  -6.685
   19    HD2  HIS   3           HD2      HIS   3  -1.424   0.718 -10.487
   20    HE1  HIS   3           HE1      HIS   3  -3.501   0.094  -6.812
   21    H    TRP   4           H        TRP   4   1.835   3.093 -10.579
   22    HA   TRP   4           HA       TRP   4   2.905   5.864 -10.387
   23    HB2  TRP   4           HB2      TRP   4   4.197   3.396 -11.620
   24    HB3  TRP   4           HB3      TRP   4   4.742   5.045 -11.876
   25    HD1  TRP   4           HD1      TRP   4   6.332   6.095 -10.175
   26    HE1  TRP   4           HE1      TRP   4   7.426   5.380  -7.988
   27    HE3  TRP   4           HE3      TRP   4   3.713   1.766  -9.342
   28    HZ2  TRP   4           HZ2      TRP   4   7.131   3.251  -6.039
   29    HZ3  TRP   4           HZ3      TRP   4   4.114   0.441  -7.288
   30    HH2  TRP   4           HH2      TRP   4   5.813   1.176  -5.628
   31    H    ILE   5           H        ILE   5   2.501   7.080 -12.251
   32    HA   ILE   5           HA       ILE   5   1.247   5.743 -14.593
   33    HB   ILE   5           HB       ILE   5   0.225   8.204 -13.127
   34   HG12  ILE   5          HG12      ILE   5  -0.470   6.140 -11.950
   35   HG13  ILE   5          HG13      ILE   5  -1.807   7.050 -12.616
   36   HG21  ILE   5          HG21      ILE   5  -0.055   8.494 -15.523
   37   HG22  ILE   5          HG22      ILE   5  -0.757   6.885 -15.687
   38   HG23  ILE   5          HG23      ILE   5  -1.631   8.163 -14.800
   39   HD11  ILE   5          HD11      ILE   5  -2.025   4.569 -12.882
   40   HD12  ILE   5          HD12      ILE   5  -2.138   5.460 -14.406
   41   HD13  ILE   5          HD13      ILE   5  -0.649   4.592 -13.993
   42    H    ASP   6           H        ASP   6   2.009   6.538 -16.468
   43    HA   ASP   6           HA       ASP   6   4.017   8.747 -16.479
   44    HB2  ASP   6           HB2      ASP   6   4.763   6.827 -17.710
   45    HB3  ASP   6           HB3      ASP   6   3.180   6.567 -18.415
   46    H    VAL   7           H        VAL   7   3.199  10.679 -16.979
   47    HA   VAL   7           HA       VAL   7   0.587  10.796 -18.436
   48    HB   VAL   7           HB       VAL   7  -0.031  12.774 -17.282
   49   HG11  VAL   7          HG11      VAL   7   0.988  10.758 -15.238
   50   HG12  VAL   7          HG12      VAL   7  -0.276  11.980 -15.000
   51   HG13  VAL   7          HG13      VAL   7  -0.540  10.663 -16.147
   52   HG21  VAL   7          HG21      VAL   7   2.256  13.793 -17.027
   53   HG22  VAL   7          HG22      VAL   7   1.273  13.823 -15.568
   54   HG23  VAL   7          HG23      VAL   7   2.586  12.635 -15.719
   55    H    ARG   8           H        ARG   8   3.477  10.919 -19.611
   56    HA   ARG   8           HA       ARG   8   3.051  13.490 -21.094
   57    HB2  ARG   8           HB2      ARG   8   5.466  12.293 -20.244
   58    HB3  ARG   8           HB3      ARG   8   5.368  11.891 -21.955
   59    HG2  ARG   8           HG2      ARG   8   4.865  14.349 -22.435
   60    HG3  ARG   8           HG3      ARG   8   5.203  14.680 -20.728
   61    HD2  ARG   8           HD2      ARG   8   7.478  13.740 -21.024
   62    HD3  ARG   8           HD3      ARG   8   7.123  13.428 -22.733
   63    HE   ARG   8           HE       ARG   8   6.836  16.199 -21.718
   64   HH11  ARG   8          HH11      ARG   8   8.783  13.939 -23.669
   65   HH12  ARG   8          HH12      ARG   8   9.715  15.183 -24.406
   66   HH21  ARG   8          HH21      ARG   8   8.080  17.837 -22.720
   67   HH22  ARG   8          HH22      ARG   8   9.315  17.435 -23.848
   68    H    VAL   9           H        VAL   9   4.085  12.792 -23.525
   69    HA   VAL   9           HA       VAL   9   2.022  11.314 -24.862
   70    HB   VAL   9           HB       VAL   9   3.785  11.302 -26.710
   71   HG11  VAL   9          HG11      VAL   9   1.995  12.995 -26.579
   72   HG12  VAL   9          HG12      VAL   9   3.009  14.010 -25.531
   73   HG13  VAL   9          HG13      VAL   9   3.490  13.699 -27.212
   74   HG21  VAL   9          HG21      VAL   9   5.728  12.717 -26.571
   75   HG22  VAL   9          HG22      VAL   9   5.344  13.219 -24.920
   76   HG23  VAL   9          HG23      VAL   9   5.829  11.542 -25.254
   77    HA   PRO  10           HA       PRO  10   3.525   7.186 -24.097
   78    HB2  PRO  10           HB2      PRO  10   2.904   5.888 -26.458
   79    HB3  PRO  10           HB3      PRO  10   1.722   6.290 -25.176
   80    HG2  PRO  10           HG2      PRO  10   2.321   7.810 -27.724
   81    HG3  PRO  10           HG3      PRO  10   0.721   7.404 -27.023
   82    HD2  PRO  10           HD2      PRO  10   1.846   9.849 -26.685
   83    HD3  PRO  10           HD3      PRO  10   0.927   9.073 -25.361
   84    H    GLU  11           H        GLU  11   4.745   9.067 -26.863
   85    HA   GLU  11           HA       GLU  11   6.748   7.279 -27.632
   86    HB2  GLU  11           HB2      GLU  11   5.866   9.576 -28.643
   87    HB3  GLU  11           HB3      GLU  11   7.177  10.266 -27.685
   88    HG2  GLU  11           HG2      GLU  11   8.061   9.883 -29.841
   89    HG3  GLU  11           HG3      GLU  11   8.731   8.592 -28.846
   90    H    GLN  12           H        GLN  12   6.601   9.255 -24.694
   91    HA   GLN  12           HA       GLN  12   9.444   9.006 -24.164
   92    HB2  GLN  12           HB2      GLN  12   9.098  10.031 -22.171
   93    HB3  GLN  12           HB3      GLN  12   7.811  10.695 -23.145
   94    HG2  GLN  12           HG2      GLN  12   6.709  10.302 -21.173
   95    HG3  GLN  12           HG3      GLN  12   6.311   8.837 -22.043
   96   HE21  GLN  12          HE22      GLN  12   6.186   7.323 -20.354
   97   HE22  GLN  12          HE21      GLN  12   7.448   7.033 -19.160
   98    H    TYR  13           H        TYR  13   6.530   7.099 -23.434
   99    HA   TYR  13           HA       TYR  13   7.621   5.222 -21.695
  100    HB2  TYR  13           HB2      TYR  13   5.166   5.806 -22.362
  101    HB3  TYR  13           HB3      TYR  13   5.392   4.697 -23.696
  102    HD1  TYR  13           HD1      TYR  13   5.533   2.271 -23.345
  103    HD2  TYR  13           HD2      TYR  13   4.877   5.019 -20.083
  104    HE1  TYR  13           HE1      TYR  13   4.683   0.410 -21.950
  105    HE2  TYR  13           HE2      TYR  13   4.063   3.164 -18.671
  106    HH   TYR  13           HH       TYR  13   3.644   0.868 -18.536
  107    H    GLN  14           H        GLN  14   7.485   5.323 -25.273
  108    HA   GLN  14           HA       GLN  14   8.569   2.771 -25.815
  109    HB2  GLN  14           HB2      GLN  14   8.509   5.390 -27.304
  110    HB3  GLN  14           HB3      GLN  14   9.672   4.179 -27.818
  111    HG2  GLN  14           HG2      GLN  14   7.804   3.823 -29.164
  112    HG3  GLN  14           HG3      GLN  14   7.815   2.498 -28.010
  113   HE21  GLN  14          HE22      GLN  14   6.220   5.536 -28.972
  114   HE22  GLN  14          HE21      GLN  14   4.731   5.239 -28.076
  115    H    GLN  15           H        GLN  15  10.303   5.810 -24.898
  116    HA   GLN  15           HA       GLN  15  12.879   4.748 -25.623
  117    HB2  GLN  15           HB2      GLN  15  12.450   6.948 -23.562
  118    HB3  GLN  15           HB3      GLN  15  13.846   6.657 -24.590
  119    HG2  GLN  15           HG2      GLN  15  11.150   7.798 -25.323
  120    HG3  GLN  15           HG3      GLN  15  12.713   8.576 -25.437
  121   HE21  GLN  15          HE22      GLN  15  10.324   7.363 -27.325
  122   HE22  GLN  15          HE21      GLN  15  11.257   6.838 -28.720
  123    H    GLU  16           H        GLU  16  11.356   5.348 -22.418
  124    HA   GLU  16           HA       GLU  16  11.714   2.752 -21.543
  125    HB2  GLU  16           HB2      GLU  16  13.260   2.932 -19.683
  126    HB3  GLU  16           HB3      GLU  16  14.096   3.313 -21.177
  127    HG2  GLU  16           HG2      GLU  16  13.522   5.826 -20.494
  128    HG3  GLU  16           HG3      GLU  16  13.361   5.114 -18.876
  129    H    HIS  17           H        HIS  17  10.563   2.441 -19.558
  130    HA   HIS  17           HA       HIS  17   9.186   4.815 -18.434
  131    HB2  HIS  17           HB2      HIS  17   7.053   3.691 -18.591
  132    HB3  HIS  17           HB3      HIS  17   7.739   3.805 -20.200
  133    HD1  HIS  17           HD1      HIS  17   6.932   1.183 -17.499
  134    HD2  HIS  17           HD2      HIS  17   8.338   1.486 -21.456
  135    HE1  HIS  17           HE1      HIS  17   6.822  -1.164 -18.490
  136    H    VAL  18           H        VAL  18   8.453   4.426 -16.287
  137    HA   VAL  18           HA       VAL  18   9.968   2.725 -14.591
  138    HB   VAL  18           HB       VAL  18   7.204   3.975 -14.272
  139   HG11  VAL  18          HG11      VAL  18   9.059   2.803 -12.152
  140   HG12  VAL  18          HG12      VAL  18   7.613   3.780 -11.810
  141   HG13  VAL  18          HG13      VAL  18   7.443   2.207 -12.590
  142   HG21  VAL  18          HG21      VAL  18   9.919   4.948 -13.299
  143   HG22  VAL  18          HG22      VAL  18   9.023   5.633 -14.668
  144   HG23  VAL  18          HG23      VAL  18   8.336   5.738 -13.054
  145    H    GLN  19           H        GLN  19   9.804   0.559 -14.204
  146    HA   GLN  19           HA       GLN  19   7.981  -1.033 -15.786
  147    HB2  GLN  19           HB2      GLN  19  10.372  -1.628 -15.106
  148    HB3  GLN  19           HB3      GLN  19   9.747  -2.010 -13.505
  149    HG2  GLN  19           HG2      GLN  19   8.848  -3.278 -16.141
  150    HG3  GLN  19           HG3      GLN  19   9.988  -3.988 -15.009
  151   HE21  GLN  19          HE22      GLN  19   6.539  -3.287 -15.594
  152   HE22  GLN  19          HE21      GLN  19   5.944  -4.237 -14.265
  153    H    GLY  20           H        GLY  20   5.884  -0.559 -15.197
  154    HA2  GLY  20           HA2      GLY  20   4.250  -1.699 -13.564
  155    HA3  GLY  20           HA3      GLY  20   5.056  -0.701 -12.341
  156    H    ALA  21           H        ALA  21   5.374   1.374 -14.728
  157    HA   ALA  21           HA       ALA  21   2.827   2.766 -14.145
  158    HB1  ALA  21           HB1      ALA  21   5.209   3.675 -15.825
  159    HB2  ALA  21           HB2      ALA  21   3.800   4.671 -15.415
  160    HB3  ALA  21           HB3      ALA  21   4.889   4.133 -14.132
  161    H    ILE  22           H        ILE  22   1.632   3.719 -15.885
  162    HA   ILE  22           HA       ILE  22   1.688   2.327 -18.478
  163    HB   ILE  22           HB       ILE  22  -0.801   2.226 -18.390
  164   HG12  ILE  22          HG12      ILE  22  -0.511   2.566 -15.373
  165   HG13  ILE  22          HG13      ILE  22  -1.173   3.781 -16.467
  166   HG21  ILE  22          HG21      ILE  22   0.718   0.253 -18.062
  167   HG22  ILE  22          HG22      ILE  22   0.537   0.454 -16.308
  168   HG23  ILE  22          HG23      ILE  22  -0.868   0.058 -17.319
  169   HD11  ILE  22          HD11      ILE  22  -2.987   2.614 -15.390
  170   HD12  ILE  22          HD12      ILE  22  -2.985   2.179 -17.112
  171   HD13  ILE  22          HD13      ILE  22  -2.364   1.040 -15.891
  172    H    ASN  23           H        ASN  23   0.906   3.667 -20.159
  173    HA   ASN  23           HA       ASN  23   1.394   6.498 -19.624
  174    HB2  ASN  23           HB2      ASN  23   2.395   5.463 -21.599
  175    HB3  ASN  23           HB3      ASN  23   0.791   5.000 -22.203
  176   HD21  ASN  23          HD22      ASN  23   2.840   7.841 -21.320
  177   HD22  ASN  23          HD21      ASN  23   1.888   9.019 -22.200
  178    H    ILE  24           H        ILE  24  -0.153   7.792 -18.968
  179    HA   ILE  24           HA       ILE  24  -2.893   7.675 -20.101
  180    HB   ILE  24           HB       ILE  24  -2.250   8.104 -17.159
  181   HG12  ILE  24          HG12      ILE  24  -1.957   5.692 -17.696
  182   HG13  ILE  24          HG13      ILE  24  -3.218   6.051 -16.539
  183   HG21  ILE  24          HG21      ILE  24  -4.175   9.367 -17.896
  184   HG22  ILE  24          HG22      ILE  24  -4.852   7.946 -18.696
  185   HG23  ILE  24          HG23      ILE  24  -4.740   8.006 -16.913
  186   HD11  ILE  24          HD11      ILE  24  -3.764   5.459 -19.468
  187   HD12  ILE  24          HD12      ILE  24  -3.838   4.268 -18.157
  188   HD13  ILE  24          HD13      ILE  24  -4.967   5.630 -18.169
  189    HA   PRO  25           HA       PRO  25  -0.317  11.442 -20.669
  190    HB2  PRO  25           HB2      PRO  25  -2.494  11.987 -22.701
  191    HB3  PRO  25           HB3      PRO  25  -0.728  12.291 -22.828
  192    HG2  PRO  25           HG2      PRO  25  -1.752  10.086 -23.986
  193    HG3  PRO  25           HG3      PRO  25  -0.267   9.941 -22.978
  194    HD2  PRO  25           HD2      PRO  25  -3.138   9.375 -22.164
  195    HD3  PRO  25           HD3      PRO  25  -1.696   8.347 -21.941
  196    H    LEU  26           H        LEU  26  -0.435  13.556 -20.048
  197    HA   LEU  26           HA       LEU  26  -2.065  14.482 -18.097
  198    HB2  LEU  26           HB2      LEU  26   0.065  15.415 -18.731
  199    HB3  LEU  26           HB3      LEU  26  -0.540  15.980 -20.273
  200    HG   LEU  26           HG       LEU  26  -0.107  17.716 -18.554
  201   HD11  LEU  26          HD11      LEU  26  -1.674  18.129 -20.468
  202   HD12  LEU  26          HD12      LEU  26  -3.024  17.859 -19.338
  203   HD13  LEU  26          HD13      LEU  26  -1.873  19.164 -19.048
  204   HD21  LEU  26          HD21      LEU  26  -0.847  16.589 -16.561
  205   HD22  LEU  26          HD22      LEU  26  -1.754  18.100 -16.751
  206   HD23  LEU  26          HD23      LEU  26  -2.526  16.557 -17.134
  207    H    LYS  27           H        LYS  27  -2.648  14.947 -21.604
  208    HA   LYS  27           HA       LYS  27  -4.810  16.747 -21.334
  209    HB2  LYS  27           HB2      LYS  27  -4.211  14.744 -23.562
  210    HB3  LYS  27           HB3      LYS  27  -5.371  16.072 -23.675
  211    HG2  LYS  27           HG2      LYS  27  -3.538  17.711 -23.264
  212    HG3  LYS  27           HG3      LYS  27  -2.368  16.376 -23.247
  213    HD2  LYS  27           HD2      LYS  27  -3.005  15.780 -25.569
  214    HD3  LYS  27           HD3      LYS  27  -4.175  17.119 -25.590
  215    HE2  LYS  27           HE2      LYS  27  -2.326  18.733 -25.182
  216    HE3  LYS  27           HE3      LYS  27  -1.163  17.401 -25.172
  217    HZ1  LYS  27           HZ1      LYS  27  -1.753  16.958 -27.486
  218    HZ2  LYS  27           HZ2      LYS  27  -2.828  18.191 -27.494
  219    HZ3  LYS  27           HZ3      LYS  27  -1.238  18.493 -27.320
  220    H    GLU  28           H        GLU  28  -4.770  13.370 -20.570
  221    HA   GLU  28           HA       GLU  28  -7.745  13.178 -20.796
  222    HB2  GLU  28           HB2      GLU  28  -5.673  11.001 -21.219
  223    HB3  GLU  28           HB3      GLU  28  -7.427  10.879 -21.449
  224    HG2  GLU  28           HG2      GLU  28  -7.253  12.554 -23.305
  225    HG3  GLU  28           HG3      GLU  28  -5.491  12.511 -23.144
  226    H    VAL  29           H        VAL  29  -4.968  12.886 -18.710
  227    HA   VAL  29           HA       VAL  29  -5.573  10.843 -17.061
  228    HB   VAL  29           HB       VAL  29  -3.543  12.427 -17.142
  229   HG11  VAL  29          HG11      VAL  29  -4.995  13.949 -14.953
  230   HG12  VAL  29          HG12      VAL  29  -3.369  14.231 -15.598
  231   HG13  VAL  29          HG13      VAL  29  -4.779  14.544 -16.615
  232   HG21  VAL  29          HG21      VAL  29  -4.542  11.474 -14.436
  233   HG22  VAL  29          HG22      VAL  29  -3.652  10.513 -15.636
  234   HG23  VAL  29          HG23      VAL  29  -2.864  11.887 -14.849
  235    H    LYS  30           H        LYS  30  -7.192  13.998 -17.014
  236    HA   LYS  30           HA       LYS  30  -8.400  13.859 -14.494
  237    HB2  LYS  30           HB2      LYS  30  -8.352  15.782 -16.231
  238    HB3  LYS  30           HB3      LYS  30  -9.774  15.026 -16.955
  239    HG2  LYS  30           HG2      LYS  30 -11.027  15.277 -14.853
  240    HG3  LYS  30           HG3      LYS  30  -9.564  15.814 -14.014
  241    HD2  LYS  30           HD2      LYS  30  -9.489  17.776 -15.664
  242    HD3  LYS  30           HD3      LYS  30 -11.128  17.298 -16.160
  243    HE2  LYS  30           HE2      LYS  30 -11.891  17.529 -13.793
  244    HE3  LYS  30           HE3      LYS  30 -10.243  17.937 -13.303
  245    HZ1  LYS  30           HZ1      LYS  30 -10.436  19.890 -14.832
  246    HZ2  LYS  30           HZ2      LYS  30 -12.039  19.576 -14.973
  247    HZ3  LYS  30           HZ3      LYS  30 -11.378  19.946 -13.508
  248    H    GLU  31           H        GLU  31  -9.346  12.200 -17.495
  249    HA   GLU  31           HA       GLU  31 -11.819  11.182 -16.143
  250    HB2  GLU  31           HB2      GLU  31 -10.970  11.218 -19.070
  251    HB3  GLU  31           HB3      GLU  31 -12.429  10.438 -18.443
  252    HG2  GLU  31           HG2      GLU  31 -13.211  12.637 -17.557
  253    HG3  GLU  31           HG3      GLU  31 -11.791  13.417 -18.255
  254    H    ARG  32           H        ARG  32  -8.893  10.148 -17.989
  255    HA   ARG  32           HA       ARG  32  -9.526   7.369 -17.859
  256    HB2  ARG  32           HB2      ARG  32  -6.914   8.851 -18.310
  257    HB3  ARG  32           HB3      ARG  32  -7.082   7.089 -18.452
  258    HG2  ARG  32           HG2      ARG  32  -8.815   7.424 -20.234
  259    HG3  ARG  32           HG3      ARG  32  -8.564   9.169 -20.115
  260    HD2  ARG  32           HD2      ARG  32  -7.290   8.406 -21.981
  261    HD3  ARG  32           HD3      ARG  32  -6.134   8.813 -20.698
  262    HE   ARG  32           HE       ARG  32  -6.789   6.054 -20.505
  263   HH11  ARG  32          HH21      ARG  32  -5.175   8.175 -22.897
  264   HH12  ARG  32          HH22      ARG  32  -4.068   6.942 -23.395
  265   HH21  ARG  32          HH11      ARG  32  -5.370   4.420 -21.284
  266   HH22  ARG  32          HH12      ARG  32  -4.180   4.789 -22.468
  267    H    ILE  33           H        ILE  33  -8.031   9.430 -15.376
  268    HA   ILE  33           HA       ILE  33  -6.688   7.379 -14.033
  269    HB   ILE  33           HB       ILE  33  -6.447   9.764 -13.495
  270   HG12  ILE  33          HG12      ILE  33  -6.346   9.554 -11.016
  271   HG13  ILE  33          HG13      ILE  33  -7.212   8.030 -11.122
  272   HG21  ILE  33          HG21      ILE  33  -8.861  10.446 -13.574
  273   HG22  ILE  33          HG22      ILE  33  -9.142   9.568 -12.072
  274   HG23  ILE  33          HG23      ILE  33  -8.059  10.961 -12.091
  275   HD11  ILE  33          HD11      ILE  33  -5.353   7.018 -12.370
  276   HD12  ILE  33          HD12      ILE  33  -4.509   8.588 -12.415
  277   HD13  ILE  33          HD13      ILE  33  -4.770   7.739 -10.877
  278    H    ALA  34           H        ALA  34 -10.169   8.056 -14.176
  279    HA   ALA  34           HA       ALA  34 -10.975   6.600 -11.893
  280    HB1  ALA  34           HB1      ALA  34 -13.195   6.617 -12.944
  281    HB2  ALA  34           HB2      ALA  34 -12.414   8.197 -13.138
  282    HB3  ALA  34           HB3      ALA  34 -12.481   7.059 -14.507
  283    H    THR  35           H        THR  35  -9.816   5.396 -14.988
  284    HA   THR  35           HA       THR  35 -10.660   2.643 -14.251
  285    HB   THR  35           HB       THR  35  -9.967   2.323 -16.759
  286    HG1  THR  35           HG1      THR  35  -9.156   4.425 -17.124
  287   HG21  THR  35          HG21      THR  35 -12.275   2.106 -15.909
  288   HG22  THR  35          HG22      THR  35 -12.487   3.869 -15.992
  289   HG23  THR  35          HG23      THR  35 -12.253   2.922 -17.480
  290    H    ALA  36           H        ALA  36  -7.839   4.748 -14.845
  291    HA   ALA  36           HA       ALA  36  -5.925   2.611 -14.954
  292    HB1  ALA  36           HB1      ALA  36  -5.552   5.527 -14.155
  293    HB2  ALA  36           HB2      ALA  36  -4.279   4.395 -14.623
  294    HB3  ALA  36           HB3      ALA  36  -5.496   4.893 -15.815
  295    H    VAL  37           H        VAL  37  -7.145   4.673 -12.251
  296    HA   VAL  37           HA       VAL  37  -6.251   2.656 -10.302
  297    HB   VAL  37           HB       VAL  37  -5.604   5.517  -9.837
  298   HG11  VAL  37          HG11      VAL  37  -4.785   2.940  -8.430
  299   HG12  VAL  37          HG12      VAL  37  -4.242   4.566  -7.979
  300   HG13  VAL  37          HG13      VAL  37  -5.947   4.138  -7.820
  301   HG21  VAL  37          HG21      VAL  37  -3.655   3.367 -10.727
  302   HG22  VAL  37          HG22      VAL  37  -4.087   4.846 -11.622
  303   HG23  VAL  37          HG23      VAL  37  -3.211   4.969 -10.101
  304    HA   PRO  38           HA       PRO  38 -10.623   4.173 -10.249
  305    HB2  PRO  38           HB2      PRO  38 -11.009   1.465  -8.978
  306    HB3  PRO  38           HB3      PRO  38 -12.021   2.294 -10.201
  307    HG2  PRO  38           HG2      PRO  38 -10.316   0.310 -10.931
  308    HG3  PRO  38           HG3      PRO  38 -10.474   1.784 -11.938
  309    HD2  PRO  38           HD2      PRO  38  -8.319   1.103  -9.932
  310    HD3  PRO  38           HD3      PRO  38  -8.170   1.823 -11.559
  311    H    ASP  39           H        ASP  39  -8.863   2.607  -7.535
  312    HA   ASP  39           HA       ASP  39 -10.580   3.798  -5.482
  313    HB2  ASP  39           HB2      ASP  39  -9.547   1.683  -4.979
  314    HB3  ASP  39           HB3      ASP  39  -7.936   2.319  -5.335
  315    H    LYS  40           H        LYS  40 -10.537   6.034  -5.657
  316    HA   LYS  40           HA       LYS  40  -8.164   7.450  -6.265
  317    HB2  LYS  40           HB2      LYS  40  -9.396   9.458  -5.920
  318    HB3  LYS  40           HB3      LYS  40 -10.402   8.299  -6.771
  319    HG2  LYS  40           HG2      LYS  40 -11.749   7.910  -4.787
  320    HG3  LYS  40           HG3      LYS  40 -10.604   8.795  -3.767
  321    HD2  LYS  40           HD2      LYS  40 -12.545  10.190  -4.218
  322    HD3  LYS  40           HD3      LYS  40 -11.094  10.890  -4.943
  323    HE2  LYS  40           HE2      LYS  40 -11.778   9.911  -7.162
  324    HE3  LYS  40           HE3      LYS  40 -13.262   9.317  -6.404
  325    HZ1  LYS  40           HZ1      LYS  40 -13.802  11.663  -5.898
  326    HZ2  LYS  40           HZ2      LYS  40 -12.465  12.164  -6.717
  327    HZ3  LYS  40           HZ3      LYS  40 -13.674  11.396  -7.498
  328    H    ASN  41           H        ASN  41  -8.740   5.916  -3.339
  329    HA   ASN  41           HA       ASN  41  -7.339   7.962  -1.737
  330    HB2  ASN  41           HB2      ASN  41  -9.218   6.552  -0.805
  331    HB3  ASN  41           HB3      ASN  41  -8.162   5.140  -0.964
  332   HD21  ASN  41          HD22      ASN  41  -8.064   8.517   0.372
  333   HD22  ASN  41          HD21      ASN  41  -7.298   8.044   1.877
  334    H    ASP  42           H        ASP  42  -6.496   5.404  -3.878
  335    HA   ASP  42           HA       ASP  42  -4.067   4.470  -2.624
  336    HB2  ASP  42           HB2      ASP  42  -5.368   3.296  -4.418
  337    HB3  ASP  42           HB3      ASP  42  -4.885   4.567  -5.548
  338    H    THR  43           H        THR  43  -1.879   5.077  -3.211
  339    HA   THR  43           HA       THR  43  -1.561   7.942  -3.608
  340    HB   THR  43           HB       THR  43   0.615   5.871  -3.322
  341    HG1  THR  43           HG1      THR  43  -0.592   5.521  -1.595
  342   HG21  THR  43          HG21      THR  43   1.863   7.734  -2.285
  343   HG22  THR  43          HG22      THR  43   1.405   8.103  -3.953
  344   HG23  THR  43          HG23      THR  43   0.503   8.832  -2.610
  345    H    VAL  44           H        VAL  44  -2.067   8.481  -5.718
  346    HA   VAL  44           HA       VAL  44  -0.884   7.001  -7.954
  347    HB   VAL  44           HB       VAL  44  -2.392   9.646  -8.030
  348   HG11  VAL  44          HG11      VAL  44  -2.833   9.038 -10.350
  349   HG12  VAL  44          HG12      VAL  44  -1.092   8.957 -10.088
  350   HG13  VAL  44          HG13      VAL  44  -2.039   7.460 -10.137
  351   HG21  VAL  44          HG21      VAL  44  -3.506   6.816  -8.174
  352   HG22  VAL  44          HG22      VAL  44  -3.873   8.044  -6.944
  353   HG23  VAL  44          HG23      VAL  44  -4.399   8.292  -8.607
  354    H    LYS  45           H        LYS  45   1.353   7.130  -7.781
  355    HA   LYS  45           HA       LYS  45   2.679   9.767  -7.638
  356    HB2  LYS  45           HB2      LYS  45   3.692   6.960  -8.288
  357    HB3  LYS  45           HB3      LYS  45   4.704   8.407  -8.277
  358    HG2  LYS  45           HG2      LYS  45   4.308   8.785  -5.919
  359    HG3  LYS  45           HG3      LYS  45   3.096   7.493  -5.848
  360    HD2  LYS  45           HD2      LYS  45   4.762   5.805  -6.358
  361    HD3  LYS  45           HD3      LYS  45   6.032   7.026  -6.532
  362    HE2  LYS  45           HE2      LYS  45   4.428   6.687  -3.961
  363    HE3  LYS  45           HE3      LYS  45   5.851   5.700  -4.304
  364    HZ1  LYS  45           HZ1      LYS  45   6.418   7.636  -2.990
  365    HZ2  LYS  45           HZ2      LYS  45   7.178   7.706  -4.425
  366    HZ3  LYS  45           HZ3      LYS  45   5.892   8.677  -4.131
  367    H    VAL  46           H        VAL  46   2.963  11.029  -9.414
  368    HA   VAL  46           HA       VAL  46   2.536   9.819 -12.112
  369    HB   VAL  46           HB       VAL  46   1.899  12.147 -12.828
  370   HG11  VAL  46          HG11      VAL  46   0.018  10.796 -10.857
  371   HG12  VAL  46          HG12      VAL  46  -0.439  11.915 -12.157
  372   HG13  VAL  46          HG13      VAL  46   0.248  10.343 -12.563
  373   HG21  VAL  46          HG21      VAL  46   1.373  12.645  -9.859
  374   HG22  VAL  46          HG22      VAL  46   2.630  13.441 -10.827
  375   HG23  VAL  46          HG23      VAL  46   0.931  13.700 -11.211
  376    H    TYR  47           H        TYR  47   4.065  10.266 -13.675
  377    HA   TYR  47           HA       TYR  47   6.142  12.227 -13.108
  378    HB2  TYR  47           HB2      TYR  47   8.001  10.849 -13.403
  379    HB3  TYR  47           HB3      TYR  47   7.000   9.901 -12.332
  380    HD1  TYR  47           HD1      TYR  47   5.603   7.972 -13.347
  381    HD2  TYR  47           HD2      TYR  47   8.600  10.107 -15.592
  382    HE1  TYR  47           HE1      TYR  47   5.634   6.173 -15.028
  383    HE2  TYR  47           HE2      TYR  47   8.606   8.317 -17.301
  384    HH   TYR  47           HH       TYR  47   6.496   5.435 -17.077
  385    H    CYS  48           H        CYS  48   7.448  12.538 -15.156
  386    HA   CYS  48           HA       CYS  48   6.471  11.459 -17.629
  387    HB2  CYS  48           HB2      CYS  48   6.026  13.700 -18.674
  388    HB3  CYS  48           HB3      CYS  48   4.862  13.303 -17.407
  389    HG   CYS  48           HG       CYS  48   6.152  14.606 -15.502
  390    H    ASN  49           H        ASN  49   7.985  12.602 -19.414
  391    HA   ASN  49           HA       ASN  49  10.628  12.052 -18.712
  392    HB2  ASN  49           HB2      ASN  49   9.684  12.106 -21.044
  393    HB3  ASN  49           HB3      ASN  49   9.705  13.871 -20.973
  394   HD21  ASN  49          HD22      ASN  49  11.495  14.729 -22.030
  395   HD22  ASN  49          HD21      ASN  49  13.063  13.975 -22.080
  396    H    ALA  50           H        ALA  50   8.937  15.129 -18.276
  397    HA   ALA  50           HA       ALA  50  11.523  16.468 -17.598
  398    HB1  ALA  50           HB1      ALA  50   9.160  17.624 -19.136
  399    HB2  ALA  50           HB2      ALA  50  10.685  18.452 -18.756
  400    HB3  ALA  50           HB3      ALA  50  10.689  17.065 -19.856
  401    H    GLY  51           H        GLY  51   8.784  15.441 -16.074
  402    HA2  GLY  51           HA2      GLY  51   8.123  15.862 -13.923
  403    HA3  GLY  51           HA3      GLY  51   9.203  17.263 -13.874
  404    H    ARG  52           H        ARG  52   7.986  18.588 -16.218
  405    HA   ARG  52           HA       ARG  52   6.137  20.185 -14.891
  406    HB2  ARG  52           HB2      ARG  52   7.357  20.983 -16.816
  407    HB3  ARG  52           HB3      ARG  52   6.589  19.794 -17.881
  408    HG2  ARG  52           HG2      ARG  52   4.414  20.868 -17.626
  409    HG3  ARG  52           HG3      ARG  52   5.054  21.973 -16.393
  410    HD2  ARG  52           HD2      ARG  52   6.538  23.005 -18.070
  411    HD3  ARG  52           HD3      ARG  52   6.008  21.835 -19.282
  412    HE   ARG  52           HE       ARG  52   4.041  22.957 -19.597
  413   HH11  ARG  52          HH11      ARG  52   5.645  24.367 -16.756
  414   HH12  ARG  52          HH12      ARG  52   4.558  25.698 -16.628
  415   HH21  ARG  52          HH21      ARG  52   2.605  24.740 -19.435
  416   HH22  ARG  52          HH22      ARG  52   2.798  25.915 -18.192
  417    H    GLN  53           H        GLN  53   5.380  17.589 -17.296
  418    HA   GLN  53           HA       GLN  53   2.578  18.200 -17.176
  419    HB2  GLN  53           HB2      GLN  53   3.968  15.693 -18.212
  420    HB3  GLN  53           HB3      GLN  53   2.279  16.105 -18.469
  421    HG2  GLN  53           HG2      GLN  53   4.648  17.749 -19.471
  422    HG3  GLN  53           HG3      GLN  53   3.703  16.617 -20.425
  423   HE21  GLN  53          HE22      GLN  53   1.810  17.367 -21.433
  424   HE22  GLN  53          HE21      GLN  53   1.134  18.949 -21.147
  425    H    SER  54           H        SER  54   4.592  15.886 -15.297
  426    HA   SER  54           HA       SER  54   2.296  14.730 -13.971
  427    HB2  SER  54           HB2      SER  54   4.187  14.126 -12.288
  428    HB3  SER  54           HB3      SER  54   4.071  13.362 -13.874
  429    HG   SER  54           HG       SER  54   6.023  14.945 -12.845
  430    H    GLY  55           H        GLY  55   4.383  17.575 -13.369
  431    HA2  GLY  55           HA2      GLY  55   3.308  18.442 -10.921
  432    HA3  GLY  55           HA3      GLY  55   3.900  19.474 -12.245
  433    H    GLN  56           H        GLN  56   2.162  19.180 -14.271
  434    HA   GLN  56           HA       GLN  56  -0.167  20.607 -13.480
  435    HB2  GLN  56           HB2      GLN  56   0.277  18.966 -16.005
  436    HB3  GLN  56           HB3      GLN  56  -0.987  20.174 -15.745
  437    HG2  GLN  56           HG2      GLN  56   1.193  21.703 -15.217
  438    HG3  GLN  56           HG3      GLN  56   1.928  20.524 -16.309
  439   HE21  GLN  56          HE22      GLN  56   1.515  20.728 -18.584
  440   HE22  GLN  56          HE21      GLN  56   0.425  21.936 -19.223
  441    H    ALA  57           H        ALA  57   0.238  17.116 -14.335
  442    HA   ALA  57           HA       ALA  57  -2.460  16.380 -14.027
  443    HB1  ALA  57           HB1      ALA  57   0.026  14.709 -13.451
  444    HB2  ALA  57           HB2      ALA  57  -1.614  14.082 -13.684
  445    HB3  ALA  57           HB3      ALA  57  -0.781  14.875 -15.031
  446    H    LYS  58           H        LYS  58   0.061  16.882 -11.590
  447    HA   LYS  58           HA       LYS  58  -1.286  15.592  -9.438
  448    HB2  LYS  58           HB2      LYS  58   1.153  16.818  -9.717
  449    HB3  LYS  58           HB3      LYS  58   0.323  18.047  -8.792
  450    HG2  LYS  58           HG2      LYS  58   0.749  15.112  -8.069
  451    HG3  LYS  58           HG3      LYS  58   1.589  16.492  -7.380
  452    HD2  LYS  58           HD2      LYS  58  -1.340  15.776  -6.974
  453    HD3  LYS  58           HD3      LYS  58  -0.016  15.650  -5.798
  454    HE2  LYS  58           HE2      LYS  58   0.290  18.180  -6.150
  455    HE3  LYS  58           HE3      LYS  58  -1.294  18.113  -6.983
  456    HZ1  LYS  58           HZ1      LYS  58  -0.893  17.231  -4.179
  457    HZ2  LYS  58           HZ2      LYS  58  -1.418  18.718  -4.598
  458    HZ3  LYS  58           HZ3      LYS  58  -2.323  17.429  -4.988
  459    H    GLU  59           H        GLU  59  -1.545  18.947 -10.706
  460    HA   GLU  59           HA       GLU  59  -3.349  19.825  -8.633
  461    HB2  GLU  59           HB2      GLU  59  -2.851  20.918 -11.440
  462    HB3  GLU  59           HB3      GLU  59  -3.808  21.713 -10.185
  463    HG2  GLU  59           HG2      GLU  59  -1.792  21.738  -8.698
  464    HG3  GLU  59           HG3      GLU  59  -0.835  21.055 -10.012
  465    H    ILE  60           H        ILE  60  -3.828  18.517 -11.953
  466    HA   ILE  60           HA       ILE  60  -6.652  18.734 -12.066
  467    HB   ILE  60           HB       ILE  60  -4.743  16.681 -13.271
  468   HG12  ILE  60          HG12      ILE  60  -6.076  19.132 -14.514
  469   HG13  ILE  60          HG13      ILE  60  -4.399  19.060 -13.978
  470   HG21  ILE  60          HG21      ILE  60  -6.506  16.067 -14.847
  471   HG22  ILE  60          HG22      ILE  60  -7.045  15.737 -13.218
  472   HG23  ILE  60          HG23      ILE  60  -7.632  17.195 -14.052
  473   HD11  ILE  60          HD11      ILE  60  -4.306  18.718 -16.313
  474   HD12  ILE  60          HD12      ILE  60  -4.082  17.103 -15.602
  475   HD13  ILE  60          HD13      ILE  60  -5.646  17.564 -16.304
  476    H    LEU  61           H        LEU  61  -4.590  16.064 -10.849
  477    HA   LEU  61           HA       LEU  61  -6.770  14.370 -10.122
  478    HB2  LEU  61           HB2      LEU  61  -3.838  14.498  -9.320
  479    HB3  LEU  61           HB3      LEU  61  -4.924  13.183  -8.833
  480    HG   LEU  61           HG       LEU  61  -4.234  13.867 -11.731
  481   HD11  LEU  61          HD11      LEU  61  -2.378  12.797 -10.546
  482   HD12  LEU  61          HD12      LEU  61  -3.457  11.482 -10.017
  483   HD13  LEU  61          HD13      LEU  61  -3.083  11.706 -11.744
  484   HD21  LEU  61          HD21      LEU  61  -6.086  11.763 -10.612
  485   HD22  LEU  61          HD22      LEU  61  -6.450  13.038 -11.803
  486   HD23  LEU  61          HD23      LEU  61  -5.397  11.715 -12.258
  487    H    SER  62           H        SER  62  -5.085  16.947  -8.372
  488    HA   SER  62           HA       SER  62  -6.273  16.330  -5.807
  489    HB2  SER  62           HB2      SER  62  -5.180  18.970  -6.855
  490    HB3  SER  62           HB3      SER  62  -5.493  18.540  -5.162
  491    HG   SER  62           HG       SER  62  -3.630  17.342  -6.961
  492    H    GLU  63           H        GLU  63  -7.246  18.406  -8.618
  493    HA   GLU  63           HA       GLU  63  -9.600  19.438  -7.349
  494    HB2  GLU  63           HB2      GLU  63  -8.498  20.361  -9.408
  495    HB3  GLU  63           HB3      GLU  63  -9.120  18.981 -10.326
  496    HG2  GLU  63           HG2      GLU  63 -11.441  19.637  -9.744
  497    HG3  GLU  63           HG3      GLU  63 -10.828  20.986  -8.785
  498    H    MET  64           H        MET  64  -8.936  16.473  -9.232
  499    HA   MET  64           HA       MET  64 -11.618  15.413  -9.102
  500    HB2  MET  64           HB2      MET  64  -8.904  14.117  -9.558
  501    HB3  MET  64           HB3      MET  64 -10.419  13.239  -9.640
  502    HG2  MET  64           HG2      MET  64  -9.725  15.632 -11.376
  503    HG3  MET  64           HG3      MET  64  -9.551  13.951 -11.858
  504    HE1  MET  64           HE1      MET  64 -11.429  12.276 -12.208
  505    HE2  MET  64           HE2      MET  64 -12.341  12.567 -10.711
  506    HE3  MET  64           HE3      MET  64 -13.164  12.660 -12.280
  507    H    GLY  65           H        GLY  65  -9.495  16.006  -6.542
  508    HA2  GLY  65           HA2      GLY  65  -9.804  15.595  -4.341
  509    HA3  GLY  65           HA3      GLY  65 -11.256  14.664  -4.737
  510    H    TYR  66           H        TYR  66  -8.174  13.669  -6.182
  511    HA   TYR  66           HA       TYR  66  -8.289  11.077  -4.874
  512    HB2  TYR  66           HB2      TYR  66  -6.307  12.457  -6.709
  513    HB3  TYR  66           HB3      TYR  66  -5.909  10.955  -5.887
  514    HD1  TYR  66           HD2      TYR  66  -8.850  12.309  -7.867
  515    HD2  TYR  66           HD1      TYR  66  -6.199   9.000  -7.093
  516    HE1  TYR  66           HE2      TYR  66 -10.182  10.898  -9.394
  517    HE2  TYR  66           HE1      TYR  66  -7.501   7.593  -8.661
  518    HH   TYR  66           HH       TYR  66 -10.525   8.752 -10.219
  519    H    THR  67           H        THR  67  -7.558  10.597  -2.840
  520    HA   THR  67           HA       THR  67  -6.869  12.726  -1.172
  521    HB   THR  67           HB       THR  67  -6.274   9.910  -0.328
  522    HG1  THR  67           HG1      THR  67  -8.910  10.764  -0.955
  523   HG21  THR  67          HG21      THR  67  -6.352  11.737   1.320
  524   HG22  THR  67          HG22      THR  67  -8.012  12.130   0.812
  525   HG23  THR  67          HG23      THR  67  -7.664  10.579   1.611
  526    H    HIS  68           H        HIS  68  -4.779  10.467  -2.922
  527    HA   HIS  68           HA       HIS  68  -2.363  11.643  -1.643
  528    HB2  HIS  68           HB2      HIS  68  -2.944   8.680  -2.048
  529    HB3  HIS  68           HB3      HIS  68  -1.430   9.372  -1.459
  530    HD1  HIS  68           HD1      HIS  68  -4.339   7.721  -0.123
  531    HD2  HIS  68           HD2      HIS  68  -1.997  11.057   0.949
  532    HE1  HIS  68           HE1      HIS  68  -4.744   8.119   2.366
  533    H    VAL  69           H        VAL  69  -1.312  12.578  -3.304
  534    HA   VAL  69           HA       VAL  69  -0.843  11.105  -5.787
  535    HB   VAL  69           HB       VAL  69  -1.893  13.958  -5.831
  536   HG11  VAL  69          HG11      VAL  69  -0.489  13.193  -7.790
  537   HG12  VAL  69          HG12      VAL  69  -1.679  11.923  -8.095
  538   HG13  VAL  69          HG13      VAL  69  -2.130  13.632  -8.229
  539   HG21  VAL  69          HG21      VAL  69  -4.013  13.210  -6.765
  540   HG22  VAL  69          HG22      VAL  69  -3.559  11.509  -6.493
  541   HG23  VAL  69          HG23      VAL  69  -3.818  12.625  -5.128
  542    H    GLU  70           H        GLU  70   1.143  11.889  -6.767
  543    HA   GLU  70           HA       GLU  70   2.583  14.080  -5.412
  544    HB2  GLU  70           HB2      GLU  70   2.975  12.111  -3.975
  545    HB3  GLU  70           HB3      GLU  70   3.420  11.132  -5.376
  546    HG2  GLU  70           HG2      GLU  70   5.415  12.515  -5.745
  547    HG3  GLU  70           HG3      GLU  70   4.926  13.600  -4.434
  548    H    ASN  71           H        ASN  71   3.775  15.139  -6.944
  549    HA   ASN  71           HA       ASN  71   4.307  13.885  -9.584
  550    HB2  ASN  71           HB2      ASN  71   3.739  16.275  -9.634
  551    HB3  ASN  71           HB3      ASN  71   5.015  16.629  -8.459
  552   HD21  ASN  71          HD22      ASN  71   5.762  18.157 -10.258
  553   HD22  ASN  71          HD21      ASN  71   6.593  17.482 -11.641
  554    H    ALA  72           H        ALA  72   5.947  12.478  -9.600
  555    HA   ALA  72           HA       ALA  72   7.809  12.215  -7.457
  556    HB1  ALA  72           HB1      ALA  72   7.111  10.382  -8.971
  557    HB2  ALA  72           HB2      ALA  72   7.960  11.185 -10.315
  558    HB3  ALA  72           HB3      ALA  72   8.874  10.570  -8.910
  559    H    GLY  73           H        GLY  73   7.907  14.178 -10.414
  560    HA2  GLY  73           HA2      GLY  73   9.335  16.150 -10.270
  561    HA3  GLY  73           HA3      GLY  73  10.652  15.120  -9.676
  562    H    GLY  74           H        GLY  74   9.991  12.943 -11.596
  563    HA2  GLY  74           HA2      GLY  74   9.586  13.409 -14.189
  564    HA3  GLY  74           HA3      GLY  74  11.260  13.968 -14.045
  565    H    LEU  75           H        LEU  75  10.695  11.816 -15.673
  566    HA   LEU  75           HA       LEU  75  10.826   9.249 -14.611
  567    HB2  LEU  75           HB2      LEU  75  10.491   9.710 -16.995
  568    HB3  LEU  75           HB3      LEU  75  12.084  10.441 -17.118
  569    HG   LEU  75           HG       LEU  75  13.171   8.260 -16.773
  570   HD11  LEU  75          HD11      LEU  75  11.426   7.087 -15.410
  571   HD12  LEU  75          HD12      LEU  75  10.380   7.028 -16.842
  572   HD13  LEU  75          HD13      LEU  75  11.914   6.160 -16.836
  573   HD21  LEU  75          HD21      LEU  75  12.623   9.083 -19.029
  574   HD22  LEU  75          HD22      LEU  75  12.581   7.319 -18.941
  575   HD23  LEU  75          HD23      LEU  75  11.066   8.228 -18.961
  576    H    LYS  76           H        LYS  76  13.495  11.577 -14.936
  577    HA   LYS  76           HA       LYS  76  15.630   9.729 -14.411
  578    HB2  LYS  76           HB2      LYS  76  15.433  12.742 -13.956
  579    HB3  LYS  76           HB3      LYS  76  16.918  11.793 -13.828
  580    HG2  LYS  76           HG2      LYS  76  16.708  11.105 -16.201
  581    HG3  LYS  76           HG3      LYS  76  15.239  12.088 -16.361
  582    HD2  LYS  76           HD2      LYS  76  16.532  14.119 -15.750
  583    HD3  LYS  76           HD3      LYS  76  18.012  13.160 -15.647
  584    HE2  LYS  76           HE2      LYS  76  16.283  13.474 -18.149
  585    HE3  LYS  76           HE3      LYS  76  17.720  14.435 -17.797
  586    HZ1  LYS  76           HZ1      LYS  76  17.707  11.501 -18.206
  587    HZ2  LYS  76           HZ2      LYS  76  18.255  12.616 -19.258
  588    HZ3  LYS  76           HZ3      LYS  76  19.031  12.395 -17.846
  589    H    ASP  77           H        ASP  77  13.287  11.331 -12.266
  590    HA   ASP  77           HA       ASP  77  14.969  11.135  -9.908
  591    HB2  ASP  77           HB2      ASP  77  13.211  12.862 -10.120
  592    HB3  ASP  77           HB3      ASP  77  11.970  11.605 -10.144
  593    H    ILE  78           H        ILE  78  12.223   9.201 -11.295
  594    HA   ILE  78           HA       ILE  78  11.520   7.844  -9.101
  595    HB   ILE  78           HB       ILE  78  11.637   6.314 -11.674
  596   HG12  ILE  78          HG12      ILE  78  11.184   8.453 -12.571
  597   HG13  ILE  78          HG13      ILE  78   9.765   7.455 -12.674
  598   HG21  ILE  78          HG21      ILE  78  10.497   5.406  -9.635
  599   HG22  ILE  78          HG22      ILE  78   9.412   6.799  -9.625
  600   HG23  ILE  78          HG23      ILE  78   9.357   5.639 -10.963
  601   HD11  ILE  78          HD11      ILE  78   9.368   9.812 -12.072
  602   HD12  ILE  78          HD12      ILE  78   8.668   8.666 -10.903
  603   HD13  ILE  78          HD13      ILE  78  10.165   9.563 -10.523
  604    H    ALA  79           H        ALA  79  12.534   6.609  -7.681
  605    HA   ALA  79           HA       ALA  79  14.997   5.153  -8.310
  606    HB1  ALA  79           HB1      ALA  79  15.072   4.796  -5.874
  607    HB2  ALA  79           HB2      ALA  79  14.823   6.509  -6.250
  608    HB3  ALA  79           HB3      ALA  79  13.455   5.513  -5.697
  609    H    MET  80           H        MET  80  13.214   4.036  -9.891
  610    HA   MET  80           HA       MET  80  12.445   1.450  -8.655
  611    HB2  MET  80           HB2      MET  80  10.713   3.227 -10.429
  612    HB3  MET  80           HB3      MET  80  10.391   1.521 -10.184
  613    HG2  MET  80           HG2      MET  80  10.481   3.577  -7.949
  614    HG3  MET  80           HG3      MET  80   9.015   3.040  -8.759
  615    HE1  MET  80           HE1      MET  80   8.425  -0.556  -7.520
  616    HE2  MET  80           HE2      MET  80   7.786   0.849  -8.401
  617    HE3  MET  80           HE3      MET  80   9.150  -0.078  -9.068
  618    HA   PRO  81           HA       PRO  81  14.373  -0.166 -12.402
  619    HB2  PRO  81           HB2      PRO  81  11.919  -1.922 -12.565
  620    HB3  PRO  81           HB3      PRO  81  13.641  -2.381 -12.728
  621    HG2  PRO  81           HG2      PRO  81  12.295  -2.882 -10.425
  622    HG3  PRO  81           HG3      PRO  81  13.973  -2.249 -10.367
  623    HD2  PRO  81           HD2      PRO  81  11.379  -0.728 -10.027
  624    HD3  PRO  81           HD3      PRO  81  12.895  -0.616  -9.080
  625    H    LYS  82           H        LYS  82  14.130   0.177 -14.677
  626    HA   LYS  82           HA       LYS  82  11.542   0.963 -15.732
  627    HB2  LYS  82           HB2      LYS  82  12.451   3.069 -16.725
  628    HB3  LYS  82           HB3      LYS  82  12.294   3.093 -14.975
  629    HG2  LYS  82           HG2      LYS  82  14.847   2.495 -14.931
  630    HG3  LYS  82           HG3      LYS  82  14.820   2.911 -16.641
  631    HD2  LYS  82           HD2      LYS  82  15.557   4.828 -15.412
  632    HD3  LYS  82           HD3      LYS  82  13.923   5.199 -15.985
  633    HE2  LYS  82           HE2      LYS  82  12.993   4.699 -13.752
  634    HE3  LYS  82           HE3      LYS  82  14.532   4.028 -13.219
  635    HZ1  LYS  82           HZ1      LYS  82  15.480   6.279 -13.415
  636    HZ2  LYS  82           HZ2      LYS  82  13.993   6.900 -13.750
  637    HZ3  LYS  82           HZ3      LYS  82  14.292   6.178 -12.303
  638    H    VAL  83           H        VAL  83  11.464   0.722 -18.015
  639    HA   VAL  83           HA       VAL  83  13.695  -0.776 -19.252
  640    HB   VAL  83           HB       VAL  83  12.470  -2.357 -17.832
  641   HG11  VAL  83          HG11      VAL  83  10.233  -1.325 -17.719
  642   HG12  VAL  83          HG12      VAL  83   9.972  -1.699 -19.435
  643   HG13  VAL  83          HG13      VAL  83  10.142  -3.007 -18.252
  644   HG21  VAL  83          HG21      VAL  83  13.427  -3.155 -19.970
  645   HG22  VAL  83          HG22      VAL  83  12.037  -4.100 -19.420
  646   HG23  VAL  83          HG23      VAL  83  11.833  -2.940 -20.741
  647    H    LYS  84           H        LYS  84  13.318  -1.108 -21.585
  648    HA   LYS  84           HA       LYS  84  12.148   1.194 -22.846
  649    HB2  LYS  84           HB2      LYS  84  12.948  -1.436 -24.144
  650    HB3  LYS  84           HB3      LYS  84  12.670   0.120 -24.931
  651    HG2  LYS  84           HG2      LYS  84  14.590   1.025 -23.406
  652    HG3  LYS  84           HG3      LYS  84  14.933  -0.667 -23.055
  653    HD2  LYS  84           HD2      LYS  84  16.410   0.000 -24.795
  654    HD3  LYS  84           HD3      LYS  84  15.205  -1.067 -25.537
  655    HE2  LYS  84           HE2      LYS  84  13.965   0.926 -26.374
  656    HE3  LYS  84           HE3      LYS  84  15.124   1.991 -25.572
  657    HZ1  LYS  84           HZ1      LYS  84  15.778   0.117 -27.775
  658    HZ2  LYS  84           HZ2      LYS  84  15.628   1.732 -27.919
  659    HZ3  LYS  84           HZ3      LYS  84  16.847   1.110 -27.038
  660    H    GLY  85           H        GLY  85  10.319   1.300 -24.247
  661    HA2  GLY  85           HA2      GLY  85   7.964  -0.095 -23.382
  662    HA3  GLY  85           HA3      GLY  85   8.119   0.916 -24.826
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1   0.125   1.594   0.712
    2    H2   ALA   1           H2       ALA   1   1.239   2.508  -0.094
    3    H3   ALA   1           H3       ALA   1  -0.205   3.161   0.318
    4    HA   ALA   1           HA       ALA   1   0.214   0.974  -1.587
    5    HB1  ALA   1           HB1      ALA   1  -2.358   2.498  -0.953
    6    HB2  ALA   1           HB2      ALA   1  -2.156   1.195  -2.143
    7    HB3  ALA   1           HB3      ALA   1  -1.987   0.841  -0.421
    8    H    GLU   2           H        GLU   2   0.966   1.677  -3.567
    9    HA   GLU   2           HA       GLU   2   0.490   4.466  -4.381
   10    HB2  GLU   2           HB2      GLU   2   3.267   3.258  -4.619
   11    HB3  GLU   2           HB3      GLU   2   2.756   4.911  -4.881
   12    HG2  GLU   2           HG2      GLU   2   3.930   5.082  -2.914
   13    HG3  GLU   2           HG3      GLU   2   2.283   4.988  -2.320
   14    H    HIS   3           H        HIS   3   0.783   4.757  -6.697
   15    HA   HIS   3           HA       HIS   3   1.446   2.398  -8.335
   16    HB2  HIS   3           HB2      HIS   3  -1.110   2.534  -7.893
   17    HB3  HIS   3           HB3      HIS   3  -1.098   3.979  -8.896
   18    HD1  HIS   3           HD1      HIS   3   0.402   3.159 -11.497
   19    HD2  HIS   3           HD2      HIS   3  -1.884   0.489  -9.153
   20    HE1  HIS   3           HE1      HIS   3  -0.178   1.206 -12.987
   21    H    TRP   4           H        TRP   4   2.792   3.099  -9.930
   22    HA   TRP   4           HA       TRP   4   3.279   5.943 -10.343
   23    HB2  TRP   4           HB2      TRP   4   4.375   3.462 -11.733
   24    HB3  TRP   4           HB3      TRP   4   4.941   5.106 -11.993
   25    HD1  TRP   4           HD1      TRP   4   6.495   6.200 -10.204
   26    HE1  TRP   4           HE1      TRP   4   7.723   5.380  -8.123
   27    HE3  TRP   4           HE3      TRP   4   4.263   1.609  -9.704
   28    HZ2  TRP   4           HZ2      TRP   4   7.587   3.116  -6.316
   29    HZ3  TRP   4           HZ3      TRP   4   4.774   0.184  -7.746
   30    HH2  TRP   4           HH2      TRP   4   6.419   0.932  -6.038
   31    H    ILE   5           H        ILE   5   2.679   7.143 -12.199
   32    HA   ILE   5           HA       ILE   5   1.274   5.760 -14.404
   33    HB   ILE   5           HB       ILE   5   0.160   8.154 -12.884
   34   HG12  ILE   5          HG12      ILE   5  -0.424   6.017 -11.781
   35   HG13  ILE   5          HG13      ILE   5  -1.813   6.869 -12.415
   36   HG21  ILE   5          HG21      ILE   5  -1.712   8.111 -14.526
   37   HG22  ILE   5          HG22      ILE   5  -0.166   8.513 -15.272
   38   HG23  ILE   5          HG23      ILE   5  -0.830   6.892 -15.477
   39   HD11  ILE   5          HD11      ILE   5  -1.905   4.395 -12.741
   40   HD12  ILE   5          HD12      ILE   5  -2.077   5.311 -14.241
   41   HD13  ILE   5          HD13      ILE   5  -0.543   4.507 -13.865
   42    H    ASP   6           H        ASP   6   1.963   6.572 -16.313
   43    HA   ASP   6           HA       ASP   6   3.969   8.767 -16.357
   44    HB2  ASP   6           HB2      ASP   6   4.672   6.847 -17.607
   45    HB3  ASP   6           HB3      ASP   6   3.064   6.600 -18.277
   46    H    VAL   7           H        VAL   7   3.188  10.722 -16.849
   47    HA   VAL   7           HA       VAL   7   0.572  10.912 -18.291
   48    HB   VAL   7           HB       VAL   7  -0.065  12.862 -17.079
   49   HG11  VAL   7          HG11      VAL   7  -0.389  11.980 -14.858
   50   HG12  VAL   7          HG12      VAL   7  -0.582  10.688 -16.048
   51   HG13  VAL   7          HG13      VAL   7   0.905  10.785 -15.075
   52   HG21  VAL   7          HG21      VAL   7   1.289  13.755 -15.217
   53   HG22  VAL   7          HG22      VAL   7   2.594  12.616 -15.565
   54   HG23  VAL   7          HG23      VAL   7   2.184  13.899 -16.727
   55    H    ARG   8           H        ARG   8   3.426  10.945 -19.382
   56    HA   ARG   8           HA       ARG   8   3.273  13.549 -20.835
   57    HB2  ARG   8           HB2      ARG   8   5.465  12.694 -19.874
   58    HB3  ARG   8           HB3      ARG   8   5.381  11.368 -21.022
   59    HG2  ARG   8           HG2      ARG   8   5.672  12.837 -22.885
   60    HG3  ARG   8           HG3      ARG   8   5.273  14.278 -21.916
   61    HD2  ARG   8           HD2      ARG   8   7.404  14.109 -20.783
   62    HD3  ARG   8           HD3      ARG   8   7.679  12.503 -21.493
   63    HE   ARG   8           HE       ARG   8   8.284  13.382 -23.508
   64   HH11  ARG   8          HH11      ARG   8   7.102  16.097 -21.511
   65   HH12  ARG   8          HH12      ARG   8   7.968  17.285 -22.420
   66   HH21  ARG   8          HH21      ARG   8   9.318  14.987 -24.754
   67   HH22  ARG   8          HH22      ARG   8   9.182  16.649 -24.335
   68    H    VAL   9           H        VAL   9   4.083  12.822 -23.307
   69    HA   VAL   9           HA       VAL   9   1.815  11.401 -24.461
   70    HB   VAL   9           HB       VAL   9   3.189  11.649 -26.587
   71   HG11  VAL   9          HG11      VAL   9   2.722  14.049 -26.800
   72   HG12  VAL   9          HG12      VAL   9   1.402  13.223 -25.960
   73   HG13  VAL   9          HG13      VAL   9   2.562  14.201 -25.037
   74   HG21  VAL   9          HG21      VAL   9   5.079  13.093 -26.695
   75   HG22  VAL   9          HG22      VAL   9   4.974  13.526 -24.988
   76   HG23  VAL   9          HG23      VAL   9   5.459  11.880 -25.466
   77    HA   PRO  10           HA       PRO  10   3.380   7.321 -24.134
   78    HB2  PRO  10           HB2      PRO  10   2.727   6.148 -26.564
   79    HB3  PRO  10           HB3      PRO  10   1.559   6.487 -25.249
   80    HG2  PRO  10           HG2      PRO  10   2.203   8.169 -27.686
   81    HG3  PRO  10           HG3      PRO  10   0.581   7.707 -27.061
   82    HD2  PRO  10           HD2      PRO  10   1.615  10.116 -26.508
   83    HD3  PRO  10           HD3      PRO  10   0.793   9.200 -25.213
   84    H    GLU  11           H        GLU  11   4.702   9.335 -26.624
   85    HA   GLU  11           HA       GLU  11   6.536   7.648 -27.872
   86    HB2  GLU  11           HB2      GLU  11   6.860  10.581 -27.112
   87    HB3  GLU  11           HB3      GLU  11   7.895   9.699 -28.243
   88    HG2  GLU  11           HG2      GLU  11   5.863   9.192 -29.642
   89    HG3  GLU  11           HG3      GLU  11   4.908  10.217 -28.567
   90    H    GLN  12           H        GLN  12   6.831   9.189 -24.620
   91    HA   GLN  12           HA       GLN  12   9.571   8.273 -24.288
   92    HB2  GLN  12           HB2      GLN  12   9.302   8.656 -21.904
   93    HB3  GLN  12           HB3      GLN  12   8.911  10.068 -22.867
   94    HG2  GLN  12           HG2      GLN  12   6.673  10.041 -22.283
   95    HG3  GLN  12           HG3      GLN  12   6.615   8.323 -21.946
   96   HE21  GLN  12          HE22      GLN  12   7.145   7.533 -19.866
   97   HE22  GLN  12          HE21      GLN  12   7.389   8.628 -18.530
   98    H    TYR  13           H        TYR  13   6.366   6.924 -23.498
   99    HA   TYR  13           HA       TYR  13   7.166   4.807 -21.898
  100    HB2  TYR  13           HB2      TYR  13   4.838   5.820 -22.410
  101    HB3  TYR  13           HB3      TYR  13   4.799   4.766 -23.806
  102    HD1  TYR  13           HD2      TYR  13   4.582   4.976 -20.144
  103    HD2  TYR  13           HD1      TYR  13   4.481   2.331 -23.551
  104    HE1  TYR  13           HE2      TYR  13   3.529   3.234 -18.747
  105    HE2  TYR  13           HE1      TYR  13   3.397   0.587 -22.166
  106    HH   TYR  13           HH       TYR  13   2.707   1.048 -18.663
  107    H    GLN  14           H        GLN  14   7.216   5.103 -25.407
  108    HA   GLN  14           HA       GLN  14   7.558   2.326 -26.025
  109    HB2  GLN  14           HB2      GLN  14   8.622   4.697 -27.616
  110    HB3  GLN  14           HB3      GLN  14   8.309   3.063 -28.195
  111    HG2  GLN  14           HG2      GLN  14   6.367   5.267 -27.551
  112    HG3  GLN  14           HG3      GLN  14   6.538   4.359 -29.032
  113   HE21  GLN  14          HE22      GLN  14   4.695   4.698 -26.218
  114   HE22  GLN  14          HE21      GLN  14   3.816   3.176 -26.295
  115    H    GLN  15           H        GLN  15   9.961   5.002 -25.494
  116    HA   GLN  15           HA       GLN  15  12.170   3.195 -26.014
  117    HB2  GLN  15           HB2      GLN  15  13.606   5.067 -25.191
  118    HB3  GLN  15           HB3      GLN  15  12.621   5.394 -26.609
  119    HG2  GLN  15           HG2      GLN  15  11.073   6.746 -25.332
  120    HG3  GLN  15           HG3      GLN  15  11.867   6.311 -23.814
  121   HE21  GLN  15          HE22      GLN  15  13.614   7.503 -23.115
  122   HE22  GLN  15          HE21      GLN  15  14.349   8.807 -24.048
  123    H    GLU  16           H        GLU  16  10.801   4.659 -22.973
  124    HA   GLU  16           HA       GLU  16  11.059   2.169 -21.731
  125    HB2  GLU  16           HB2      GLU  16  12.516   2.572 -19.886
  126    HB3  GLU  16           HB3      GLU  16  13.426   2.642 -21.366
  127    HG2  GLU  16           HG2      GLU  16  12.472   5.081 -19.808
  128    HG3  GLU  16           HG3      GLU  16  14.033   4.322 -19.595
  129    H    HIS  17           H        HIS  17   9.903   2.045 -19.779
  130    HA   HIS  17           HA       HIS  17   8.876   4.534 -18.589
  131    HB2  HIS  17           HB2      HIS  17   6.616   3.512 -18.380
  132    HB3  HIS  17           HB3      HIS  17   7.058   3.894 -20.030
  133    HD1  HIS  17           HD1      HIS  17   7.411   1.750 -21.710
  134    HD2  HIS  17           HD2      HIS  17   6.143   0.961 -17.771
  135    HE1  HIS  17           HE1      HIS  17   6.635  -0.680 -21.659
  136    H    VAL  18           H        VAL  18   8.146   4.155 -16.396
  137    HA   VAL  18           HA       VAL  18   9.867   2.447 -14.852
  138    HB   VAL  18           HB       VAL  18   7.433   4.206 -14.340
  139   HG11  VAL  18          HG11      VAL  18   9.007   2.592 -12.292
  140   HG12  VAL  18          HG12      VAL  18   7.954   3.968 -11.884
  141   HG13  VAL  18          HG13      VAL  18   7.264   2.516 -12.611
  142   HG21  VAL  18          HG21      VAL  18  10.355   4.487 -13.518
  143   HG22  VAL  18          HG22      VAL  18   9.601   5.301 -14.904
  144   HG23  VAL  18          HG23      VAL  18   9.047   5.675 -13.284
  145    H    GLN  19           H        GLN  19   9.510   0.368 -14.222
  146    HA   GLN  19           HA       GLN  19   7.549  -1.176 -15.575
  147    HB2  GLN  19           HB2      GLN  19   9.843  -1.871 -14.675
  148    HB3  GLN  19           HB3      GLN  19   9.097  -2.022 -13.086
  149    HG2  GLN  19           HG2      GLN  19   8.289  -3.529 -15.623
  150    HG3  GLN  19           HG3      GLN  19   9.295  -4.170 -14.334
  151   HE21  GLN  19          HE22      GLN  19   5.977  -3.460 -15.317
  152   HE22  GLN  19          HE21      GLN  19   5.212  -4.145 -13.912
  153    H    GLY  20           H        GLY  20   5.435  -0.802 -15.217
  154    HA2  GLY  20           HA2      GLY  20   3.611  -1.585 -13.716
  155    HA3  GLY  20           HA3      GLY  20   4.378  -0.651 -12.424
  156    H    ALA  21           H        ALA  21   5.012   1.329 -14.908
  157    HA   ALA  21           HA       ALA  21   2.858   3.142 -14.241
  158    HB1  ALA  21           HB1      ALA  21   3.900   4.690 -15.817
  159    HB2  ALA  21           HB2      ALA  21   5.177   3.868 -14.889
  160    HB3  ALA  21           HB3      ALA  21   4.837   3.371 -16.551
  161    H    ILE  22           H        ILE  22   1.296   3.995 -15.713
  162    HA   ILE  22           HA       ILE  22   0.666   2.410 -18.156
  163    HB   ILE  22           HB       ILE  22  -1.315   3.880 -16.365
  164   HG12  ILE  22          HG12      ILE  22  -0.546   1.946 -15.087
  165   HG13  ILE  22          HG13      ILE  22  -2.220   1.798 -15.571
  166   HG21  ILE  22          HG21      ILE  22  -3.031   2.682 -17.713
  167   HG22  ILE  22          HG22      ILE  22  -2.035   3.763 -18.689
  168   HG23  ILE  22          HG23      ILE  22  -1.743   2.018 -18.742
  169   HD11  ILE  22          HD11      ILE  22  -1.657   0.170 -17.301
  170   HD12  ILE  22          HD12      ILE  22   0.080   0.363 -16.959
  171   HD13  ILE  22          HD13      ILE  22  -1.001  -0.334 -15.738
  172    H    ASN  23           H        ASN  23   0.572   3.801 -19.975
  173    HA   ASN  23           HA       ASN  23   1.311   6.621 -19.589
  174    HB2  ASN  23           HB2      ASN  23   2.230   5.486 -21.543
  175    HB3  ASN  23           HB3      ASN  23   0.601   5.066 -22.110
  176   HD21  ASN  23          HD22      ASN  23   2.715   7.880 -21.263
  177   HD22  ASN  23          HD21      ASN  23   1.803   9.067 -22.165
  178    H    ILE  24           H        ILE  24  -0.180   8.023 -18.959
  179    HA   ILE  24           HA       ILE  24  -2.867   8.028 -20.196
  180    HB   ILE  24           HB       ILE  24  -2.500   8.457 -17.204
  181   HG12  ILE  24          HG12      ILE  24  -3.425   5.909 -18.599
  182   HG13  ILE  24          HG13      ILE  24  -2.000   6.098 -17.570
  183   HG21  ILE  24          HG21      ILE  24  -4.927   8.470 -17.235
  184   HG22  ILE  24          HG22      ILE  24  -4.399   9.514 -18.563
  185   HG23  ILE  24          HG23      ILE  24  -4.937   7.870 -18.920
  186   HD11  ILE  24          HD11      ILE  24  -3.544   6.694 -15.655
  187   HD12  ILE  24          HD12      ILE  24  -4.902   6.198 -16.696
  188   HD13  ILE  24          HD13      ILE  24  -3.648   5.029 -16.264
  189    HA   PRO  25           HA       PRO  25  -0.187  11.725 -20.609
  190    HB2  PRO  25           HB2      PRO  25  -2.248  12.348 -22.731
  191    HB3  PRO  25           HB3      PRO  25  -0.468  12.575 -22.784
  192    HG2  PRO  25           HG2      PRO  25  -1.557  10.424 -23.994
  193    HG3  PRO  25           HG3      PRO  25  -0.106  10.206 -22.956
  194    HD2  PRO  25           HD2      PRO  25  -3.009   9.732 -22.224
  195    HD3  PRO  25           HD3      PRO  25  -1.599   8.672 -21.957
  196    H    LEU  26           H        LEU  26  -0.279  13.861 -20.015
  197    HA   LEU  26           HA       LEU  26  -1.891  14.740 -18.063
  198    HB2  LEU  26           HB2      LEU  26   0.245  15.741 -18.707
  199    HB3  LEU  26           HB3      LEU  26  -0.449  16.351 -20.207
  200    HG   LEU  26           HG       LEU  26  -1.946  17.872 -18.893
  201   HD11  LEU  26          HD11      LEU  26  -1.473  18.232 -16.495
  202   HD12  LEU  26          HD12      LEU  26  -2.026  16.573 -16.770
  203   HD13  LEU  26          HD13      LEU  26  -0.303  16.897 -16.522
  204   HD21  LEU  26          HD21      LEU  26   1.013  18.162 -18.241
  205   HD22  LEU  26          HD22      LEU  26   0.234  18.653 -19.762
  206   HD23  LEU  26          HD23      LEU  26  -0.206  19.454 -18.248
  207    H    LYS  27           H        LYS  27  -2.539  15.357 -21.539
  208    HA   LYS  27           HA       LYS  27  -4.742  17.151 -21.053
  209    HB2  LYS  27           HB2      LYS  27  -4.088  15.518 -23.547
  210    HB3  LYS  27           HB3      LYS  27  -5.167  16.905 -23.473
  211    HG2  LYS  27           HG2      LYS  27  -2.150  16.951 -23.047
  212    HG3  LYS  27           HG3      LYS  27  -3.040  17.519 -24.457
  213    HD2  LYS  27           HD2      LYS  27  -4.172  19.248 -23.004
  214    HD3  LYS  27           HD3      LYS  27  -3.185  18.696 -21.646
  215    HE2  LYS  27           HE2      LYS  27  -2.129  20.642 -22.513
  216    HE3  LYS  27           HE3      LYS  27  -1.115  19.258 -22.924
  217    HZ1  LYS  27           HZ1      LYS  27  -1.369  20.787 -24.781
  218    HZ2  LYS  27           HZ2      LYS  27  -2.032  19.355 -25.179
  219    HZ3  LYS  27           HZ3      LYS  27  -2.987  20.624 -24.780
  220    H    GLU  28           H        GLU  28  -4.579  13.760 -20.697
  221    HA   GLU  28           HA       GLU  28  -7.503  13.399 -21.217
  222    HB2  GLU  28           HB2      GLU  28  -5.068  11.639 -21.720
  223    HB3  GLU  28           HB3      GLU  28  -6.715  11.039 -21.755
  224    HG2  GLU  28           HG2      GLU  28  -5.804  13.310 -23.555
  225    HG3  GLU  28           HG3      GLU  28  -5.650  11.612 -23.990
  226    H    VAL  29           H        VAL  29  -4.917  13.055 -18.918
  227    HA   VAL  29           HA       VAL  29  -5.468  10.935 -17.454
  228    HB   VAL  29           HB       VAL  29  -3.632  12.697 -17.184
  229   HG11  VAL  29          HG11      VAL  29  -5.096  14.646 -16.679
  230   HG12  VAL  29          HG12      VAL  29  -5.497  13.904 -15.110
  231   HG13  VAL  29          HG13      VAL  29  -3.828  14.367 -15.480
  232   HG21  VAL  29          HG21      VAL  29  -4.811  11.428 -14.693
  233   HG22  VAL  29          HG22      VAL  29  -3.696  10.670 -15.848
  234   HG23  VAL  29          HG23      VAL  29  -3.153  12.043 -14.873
  235    H    LYS  30           H        LYS  30  -7.468  13.870 -17.144
  236    HA   LYS  30           HA       LYS  30  -8.963  13.178 -14.859
  237    HB2  LYS  30           HB2      LYS  30  -9.891  14.607 -17.390
  238    HB3  LYS  30           HB3      LYS  30 -10.801  14.532 -15.877
  239    HG2  LYS  30           HG2      LYS  30  -8.862  15.610 -14.706
  240    HG3  LYS  30           HG3      LYS  30  -8.097  15.864 -16.286
  241    HD2  LYS  30           HD2      LYS  30 -10.813  16.946 -15.418
  242    HD3  LYS  30           HD3      LYS  30  -9.304  17.868 -15.444
  243    HE2  LYS  30           HE2      LYS  30  -9.124  17.505 -17.906
  244    HE3  LYS  30           HE3      LYS  30 -10.658  16.624 -17.882
  245    HZ1  LYS  30           HZ1      LYS  30 -10.975  18.921 -18.530
  246    HZ2  LYS  30           HZ2      LYS  30 -11.739  18.659 -17.116
  247    HZ3  LYS  30           HZ3      LYS  30 -10.322  19.475 -17.146
  248    H    GLU  31           H        GLU  31  -9.386  12.063 -18.232
  249    HA   GLU  31           HA       GLU  31 -12.004  10.875 -17.565
  250    HB2  GLU  31           HB2      GLU  31 -10.426  11.091 -20.171
  251    HB3  GLU  31           HB3      GLU  31 -12.067  10.464 -20.034
  252    HG2  GLU  31           HG2      GLU  31 -11.197  13.320 -19.413
  253    HG3  GLU  31           HG3      GLU  31 -12.032  12.776 -20.857
  254    H    ARG  32           H        ARG  32  -8.831   9.862 -17.238
  255    HA   ARG  32           HA       ARG  32  -9.470   7.013 -17.944
  256    HB2  ARG  32           HB2      ARG  32  -7.031   8.696 -18.556
  257    HB3  ARG  32           HB3      ARG  32  -7.127   6.943 -18.837
  258    HG2  ARG  32           HG2      ARG  32  -8.913   7.297 -20.497
  259    HG3  ARG  32           HG3      ARG  32  -8.878   9.047 -20.186
  260    HD2  ARG  32           HD2      ARG  32  -6.481   9.112 -20.837
  261    HD3  ARG  32           HD3      ARG  32  -6.559   7.403 -21.280
  262    HE   ARG  32           HE       ARG  32  -7.790   9.710 -22.688
  263   HH11  ARG  32          HH11      ARG  32  -7.560   6.150 -22.604
  264   HH12  ARG  32          HH12      ARG  32  -8.157   5.973 -24.212
  265   HH21  ARG  32          HH21      ARG  32  -8.512   9.506 -24.666
  266   HH22  ARG  32          HH22      ARG  32  -8.737   7.959 -25.465
  267    H    ILE  33           H        ILE  33  -8.008   9.140 -15.525
  268    HA   ILE  33           HA       ILE  33  -6.163   7.351 -14.475
  269    HB   ILE  33           HB       ILE  33  -6.263   9.668 -13.812
  270   HG12  ILE  33          HG12      ILE  33  -5.979   9.489 -11.360
  271   HG13  ILE  33          HG13      ILE  33  -6.679   7.876 -11.386
  272   HG21  ILE  33          HG21      ILE  33  -8.830   9.079 -12.276
  273   HG22  ILE  33          HG22      ILE  33  -7.938  10.599 -12.288
  274   HG23  ILE  33          HG23      ILE  33  -8.716  10.046 -13.763
  275   HD11  ILE  33          HD11      ILE  33  -4.225   7.817 -11.275
  276   HD12  ILE  33          HD12      ILE  33  -4.788   7.058 -12.764
  277   HD13  ILE  33          HD13      ILE  33  -4.113   8.707 -12.808
  278    H    ALA  34           H        ALA  34  -9.695   7.433 -13.841
  279    HA   ALA  34           HA       ALA  34  -9.718   5.610 -11.709
  280    HB1  ALA  34           HB1      ALA  34 -11.847   6.057 -13.849
  281    HB2  ALA  34           HB2      ALA  34 -12.097   5.290 -12.267
  282    HB3  ALA  34           HB3      ALA  34 -11.647   7.003 -12.351
  283    H    THR  35           H        THR  35  -9.560   4.939 -15.223
  284    HA   THR  35           HA       THR  35 -10.082   2.144 -14.972
  285    HB   THR  35           HB       THR  35  -8.620   2.535 -17.345
  286    HG1  THR  35           HG1      THR  35  -8.710   4.796 -17.050
  287   HG21  THR  35          HG21      THR  35 -10.839   2.441 -18.420
  288   HG22  THR  35          HG22      THR  35 -10.707   1.255 -17.113
  289   HG23  THR  35          HG23      THR  35 -11.620   2.759 -16.853
  290    H    ALA  36           H        ALA  36  -7.301   3.875 -13.984
  291    HA   ALA  36           HA       ALA  36  -5.694   1.346 -14.052
  292    HB1  ALA  36           HB1      ALA  36  -3.699   2.790 -14.034
  293    HB2  ALA  36           HB2      ALA  36  -4.690   3.043 -15.483
  294    HB3  ALA  36           HB3      ALA  36  -4.733   4.230 -14.150
  295    H    VAL  37           H        VAL  37  -6.800   4.129 -12.102
  296    HA   VAL  37           HA       VAL  37  -6.042   2.634  -9.665
  297    HB   VAL  37           HB       VAL  37  -5.678   5.578  -9.812
  298   HG11  VAL  37          HG11      VAL  37  -4.324   5.156  -7.787
  299   HG12  VAL  37          HG12      VAL  37  -5.953   4.507  -7.600
  300   HG13  VAL  37          HG13      VAL  37  -4.598   3.414  -7.956
  301   HG21  VAL  37          HG21      VAL  37  -3.502   3.510 -10.302
  302   HG22  VAL  37          HG22      VAL  37  -4.045   4.774 -11.433
  303   HG23  VAL  37          HG23      VAL  37  -3.220   5.226  -9.945
  304    HA   PRO  38           HA       PRO  38 -10.540   3.769  -9.751
  305    HB2  PRO  38           HB2      PRO  38 -10.638   1.242  -8.125
  306    HB3  PRO  38           HB3      PRO  38 -11.725   1.783  -9.437
  307    HG2  PRO  38           HG2      PRO  38  -9.856  -0.169  -9.836
  308    HG3  PRO  38           HG3      PRO  38 -10.217   1.045 -11.101
  309    HD2  PRO  38           HD2      PRO  38  -7.904   0.985  -9.156
  310    HD3  PRO  38           HD3      PRO  38  -7.922   1.396 -10.897
  311    H    ASP  39           H        ASP  39  -8.404   2.543  -7.155
  312    HA   ASP  39           HA       ASP  39  -9.970   3.647  -4.975
  313    HB2  ASP  39           HB2      ASP  39  -8.684   1.620  -4.644
  314    HB3  ASP  39           HB3      ASP  39  -7.184   2.441  -5.087
  315    H    LYS  40           H        LYS  40 -10.157   5.864  -5.217
  316    HA   LYS  40           HA       LYS  40  -7.928   7.527  -5.870
  317    HB2  LYS  40           HB2      LYS  40  -9.429   9.382  -5.576
  318    HB3  LYS  40           HB3      LYS  40 -10.205   8.093  -6.473
  319    HG2  LYS  40           HG2      LYS  40 -11.495   7.427  -4.469
  320    HG3  LYS  40           HG3      LYS  40 -10.615   8.598  -3.484
  321    HD2  LYS  40           HD2      LYS  40 -12.815   9.484  -4.041
  322    HD3  LYS  40           HD3      LYS  40 -11.541  10.461  -4.752
  323    HE2  LYS  40           HE2      LYS  40 -13.302  10.273  -6.358
  324    HE3  LYS  40           HE3      LYS  40 -11.920   9.363  -6.963
  325    HZ1  LYS  40           HZ1      LYS  40 -14.016   8.172  -7.239
  326    HZ2  LYS  40           HZ2      LYS  40 -13.045   7.323  -6.247
  327    HZ3  LYS  40           HZ3      LYS  40 -14.301   8.180  -5.639
  328    H    ASN  41           H        ASN  41  -8.013   5.834  -3.151
  329    HA   ASN  41           HA       ASN  41  -6.663   7.975  -1.585
  330    HB2  ASN  41           HB2      ASN  41  -8.631   6.839  -0.493
  331    HB3  ASN  41           HB3      ASN  41  -7.744   5.316  -0.598
  332   HD21  ASN  41          HD22      ASN  41  -7.324   8.717   0.632
  333   HD22  ASN  41          HD21      ASN  41  -6.528   8.208   2.107
  334    H    ASP  42           H        ASP  42  -6.020   5.446  -3.720
  335    HA   ASP  42           HA       ASP  42  -3.492   4.532  -2.556
  336    HB2  ASP  42           HB2      ASP  42  -4.728   3.205  -4.238
  337    HB3  ASP  42           HB3      ASP  42  -4.566   4.535  -5.393
  338    H    THR  43           H        THR  43  -1.445   5.348  -3.167
  339    HA   THR  43           HA       THR  43  -1.422   8.223  -3.662
  340    HB   THR  43           HB       THR  43   0.983   6.432  -3.261
  341    HG1  THR  43           HG1      THR  43  -0.245   5.976  -1.554
  342   HG21  THR  43          HG21      THR  43   0.465   9.366  -2.602
  343   HG22  THR  43          HG22      THR  43   1.959   8.465  -2.259
  344   HG23  THR  43          HG23      THR  43   1.467   8.753  -3.934
  345    H    VAL  44           H        VAL  44  -1.918   8.630  -5.807
  346    HA   VAL  44           HA       VAL  44  -0.692   7.134  -7.957
  347    HB   VAL  44           HB       VAL  44  -2.016   9.866  -8.145
  348   HG11  VAL  44          HG11      VAL  44  -0.705   9.007 -10.140
  349   HG12  VAL  44          HG12      VAL  44  -1.754   7.582 -10.153
  350   HG13  VAL  44          HG13      VAL  44  -2.432   9.198 -10.461
  351   HG21  VAL  44          HG21      VAL  44  -3.318   7.124  -8.245
  352   HG22  VAL  44          HG22      VAL  44  -3.624   8.396  -7.044
  353   HG23  VAL  44          HG23      VAL  44  -4.098   8.646  -8.727
  354    H    LYS  45           H        LYS  45   1.483   7.190  -8.134
  355    HA   LYS  45           HA       LYS  45   3.034   9.686  -7.708
  356    HB2  LYS  45           HB2      LYS  45   3.797   6.803  -8.314
  357    HB3  LYS  45           HB3      LYS  45   4.953   8.139  -8.399
  358    HG2  LYS  45           HG2      LYS  45   4.583   8.694  -6.050
  359    HG3  LYS  45           HG3      LYS  45   3.340   7.434  -5.908
  360    HD2  LYS  45           HD2      LYS  45   4.976   5.693  -6.411
  361    HD3  LYS  45           HD3      LYS  45   6.251   6.888  -6.667
  362    HE2  LYS  45           HE2      LYS  45   4.756   6.626  -4.026
  363    HE3  LYS  45           HE3      LYS  45   6.169   5.636  -4.409
  364    HZ1  LYS  45           HZ1      LYS  45   6.834   7.556  -3.177
  365    HZ2  LYS  45           HZ2      LYS  45   7.445   7.701  -4.677
  366    HZ3  LYS  45           HZ3      LYS  45   6.151   8.606  -4.215
  367    H    VAL  46           H        VAL  46   2.136  10.972  -9.378
  368    HA   VAL  46           HA       VAL  46   2.173  10.000 -12.149
  369    HB   VAL  46           HB       VAL  46   1.724  12.414 -12.699
  370   HG11  VAL  46          HG11      VAL  46  -0.281  11.150 -10.792
  371   HG12  VAL  46          HG12      VAL  46  -0.617  12.295 -12.103
  372   HG13  VAL  46          HG13      VAL  46  -0.051  10.665 -12.489
  373   HG21  VAL  46          HG21      VAL  46   2.556  13.523 -10.637
  374   HG22  VAL  46          HG22      VAL  46   0.868  13.915 -10.958
  375   HG23  VAL  46          HG23      VAL  46   1.274  12.745  -9.692
  376    H    TYR  47           H        TYR  47   3.844  10.339 -13.628
  377    HA   TYR  47           HA       TYR  47   6.002  12.183 -12.931
  378    HB2  TYR  47           HB2      TYR  47   7.791  10.653 -13.106
  379    HB3  TYR  47           HB3      TYR  47   6.615   9.885 -12.073
  380    HD1  TYR  47           HD1      TYR  47   5.375   7.881 -12.818
  381    HD2  TYR  47           HD2      TYR  47   8.205   9.855 -15.397
  382    HE1  TYR  47           HE1      TYR  47   5.390   5.920 -14.312
  383    HE2  TYR  47           HE2      TYR  47   8.220   7.899 -16.902
  384    HH   TYR  47           HH       TYR  47   7.225   5.891 -17.417
  385    H    CYS  48           H        CYS  48   7.389  12.568 -14.882
  386    HA   CYS  48           HA       CYS  48   6.488  11.620 -17.481
  387    HB2  CYS  48           HB2      CYS  48   6.208  13.954 -18.366
  388    HB3  CYS  48           HB3      CYS  48   4.985  13.565 -17.142
  389    HG   CYS  48           HG       CYS  48   6.344  14.639 -15.140
  390    H    ASN  49           H        ASN  49   8.125  12.413 -19.121
  391    HA   ASN  49           HA       ASN  49  10.704  12.021 -18.542
  392    HB2  ASN  49           HB2      ASN  49   9.764  12.273 -20.824
  393    HB3  ASN  49           HB3      ASN  49   9.699  14.019 -20.601
  394   HD21  ASN  49          HD22      ASN  49  11.470  15.112 -21.486
  395   HD22  ASN  49          HD21      ASN  49  13.058  14.422 -21.665
  396    H    ALA  50           H        ALA  50   9.151  15.193 -18.002
  397    HA   ALA  50           HA       ALA  50  11.814  16.342 -17.294
  398    HB1  ALA  50           HB1      ALA  50   9.329  17.709 -18.395
  399    HB2  ALA  50           HB2      ALA  50  10.899  18.471 -18.069
  400    HB3  ALA  50           HB3      ALA  50  10.766  17.238 -19.334
  401    H    GLY  51           H        GLY  51   8.948  15.385 -15.698
  402    HA2  GLY  51           HA2      GLY  51   8.424  15.675 -13.469
  403    HA3  GLY  51           HA3      GLY  51   9.599  16.991 -13.344
  404    H    ARG  52           H        ARG  52   8.478  18.547 -15.605
  405    HA   ARG  52           HA       ARG  52   6.651  20.174 -14.244
  406    HB2  ARG  52           HB2      ARG  52   7.932  21.018 -16.098
  407    HB3  ARG  52           HB3      ARG  52   7.178  19.878 -17.226
  408    HG2  ARG  52           HG2      ARG  52   5.000  20.967 -16.949
  409    HG3  ARG  52           HG3      ARG  52   5.641  22.017 -15.682
  410    HD2  ARG  52           HD2      ARG  52   5.416  23.212 -17.807
  411    HD3  ARG  52           HD3      ARG  52   7.095  23.121 -17.270
  412    HE   ARG  52           HE       ARG  52   7.650  21.982 -19.144
  413   HH11  ARG  52          HH11      ARG  52   4.081  21.581 -18.849
  414   HH12  ARG  52          HH12      ARG  52   3.916  21.082 -20.485
  415   HH21  ARG  52          HH21      ARG  52   7.369  21.184 -21.251
  416   HH22  ARG  52          HH22      ARG  52   5.808  20.769 -21.843
  417    H    GLN  53           H        GLN  53   5.855  17.837 -16.879
  418    HA   GLN  53           HA       GLN  53   3.109  18.487 -16.833
  419    HB2  GLN  53           HB2      GLN  53   4.479  15.985 -17.929
  420    HB3  GLN  53           HB3      GLN  53   2.819  16.446 -18.257
  421    HG2  GLN  53           HG2      GLN  53   3.505  18.461 -19.403
  422    HG3  GLN  53           HG3      GLN  53   5.183  18.272 -18.887
  423   HE21  GLN  53          HE22      GLN  53   2.925  17.444 -21.380
  424   HE22  GLN  53          HE21      GLN  53   4.001  16.398 -22.264
  425    H    SER  54           H        SER  54   4.902  16.016 -14.921
  426    HA   SER  54           HA       SER  54   2.468  14.907 -13.805
  427    HB2  SER  54           HB2      SER  54   4.236  14.100 -12.062
  428    HB3  SER  54           HB3      SER  54   4.151  13.439 -13.699
  429    HG   SER  54           HG       SER  54   6.140  14.867 -12.489
  430    H    GLY  55           H        GLY  55   4.704  17.555 -12.915
  431    HA2  GLY  55           HA2      GLY  55   3.597  18.352 -10.454
  432    HA3  GLY  55           HA3      GLY  55   4.297  19.408 -11.708
  433    H    GLN  56           H        GLN  56   2.617  19.241 -13.803
  434    HA   GLN  56           HA       GLN  56   0.320  20.768 -13.087
  435    HB2  GLN  56           HB2      GLN  56   0.884  19.200 -15.639
  436    HB3  GLN  56           HB3      GLN  56  -0.362  20.432 -15.437
  437    HG2  GLN  56           HG2      GLN  56   1.449  22.109 -14.903
  438    HG3  GLN  56           HG3      GLN  56   2.656  20.868 -15.256
  439   HE21  GLN  56          HE22      GLN  56  -0.210  22.450 -16.843
  440   HE22  GLN  56          HE21      GLN  56   0.521  22.463 -18.427
  441    H    ALA  57           H        ALA  57   0.595  17.294 -14.091
  442    HA   ALA  57           HA       ALA  57  -2.148  16.710 -13.909
  443    HB1  ALA  57           HB1      ALA  57  -1.470  14.354 -13.763
  444    HB2  ALA  57           HB2      ALA  57  -0.494  15.204 -14.972
  445    HB3  ALA  57           HB3      ALA  57   0.188  14.839 -13.363
  446    H    LYS  58           H        LYS  58   0.263  16.965 -11.338
  447    HA   LYS  58           HA       LYS  58  -1.230  15.583  -9.338
  448    HB2  LYS  58           HB2      LYS  58   1.197  16.312  -9.206
  449    HB3  LYS  58           HB3      LYS  58   0.647  17.941  -8.811
  450    HG2  LYS  58           HG2      LYS  58  -0.265  15.513  -7.238
  451    HG3  LYS  58           HG3      LYS  58   1.297  16.243  -6.915
  452    HD2  LYS  58           HD2      LYS  58   0.392  18.204  -6.033
  453    HD3  LYS  58           HD3      LYS  58  -1.167  18.000  -6.833
  454    HE2  LYS  58           HE2      LYS  58  -1.565  15.936  -5.450
  455    HE3  LYS  58           HE3      LYS  58  -0.095  16.318  -4.532
  456    HZ1  LYS  58           HZ1      LYS  58  -2.579  17.918  -4.727
  457    HZ2  LYS  58           HZ2      LYS  58  -2.007  17.173  -3.394
  458    HZ3  LYS  58           HZ3      LYS  58  -1.215  18.476  -3.979
  459    H    GLU  59           H        GLU  59  -1.304  19.021 -10.385
  460    HA   GLU  59           HA       GLU  59  -3.258  19.813  -8.428
  461    HB2  GLU  59           HB2      GLU  59  -2.569  21.033 -11.140
  462    HB3  GLU  59           HB3      GLU  59  -3.584  21.778  -9.903
  463    HG2  GLU  59           HG2      GLU  59  -1.654  21.694  -8.306
  464    HG3  GLU  59           HG3      GLU  59  -0.633  21.069  -9.602
  465    H    ILE  60           H        ILE  60  -3.497  18.617 -11.818
  466    HA   ILE  60           HA       ILE  60  -6.308  18.899 -12.081
  467    HB   ILE  60           HB       ILE  60  -4.425  16.847 -13.324
  468   HG12  ILE  60          HG12      ILE  60  -5.518  19.507 -14.363
  469   HG13  ILE  60          HG13      ILE  60  -3.854  19.179 -13.889
  470   HG21  ILE  60          HG21      ILE  60  -7.265  17.576 -14.135
  471   HG22  ILE  60          HG22      ILE  60  -6.179  16.472 -15.014
  472   HG23  ILE  60          HG23      ILE  60  -6.756  16.026 -13.427
  473   HD11  ILE  60          HD11      ILE  60  -3.839  17.363 -15.720
  474   HD12  ILE  60          HD12      ILE  60  -5.323  18.128 -16.320
  475   HD13  ILE  60          HD13      ILE  60  -3.827  19.068 -16.240
  476    H    LEU  61           H        LEU  61  -4.392  16.058 -10.886
  477    HA   LEU  61           HA       LEU  61  -6.774  14.541 -10.380
  478    HB2  LEU  61           HB2      LEU  61  -3.924  14.211  -9.406
  479    HB3  LEU  61           HB3      LEU  61  -5.218  13.052  -9.084
  480    HG   LEU  61           HG       LEU  61  -4.149  13.767 -11.845
  481   HD11  LEU  61          HD11      LEU  61  -3.990  11.204 -10.199
  482   HD12  LEU  61          HD12      LEU  61  -3.368  11.432 -11.851
  483   HD13  LEU  61          HD13      LEU  61  -2.653  12.335 -10.511
  484   HD21  LEU  61          HD21      LEU  61  -5.612  11.844 -12.590
  485   HD22  LEU  61          HD22      LEU  61  -6.414  11.917 -11.005
  486   HD23  LEU  61          HD23      LEU  61  -6.493  13.294 -12.135
  487    H    SER  62           H        SER  62  -4.964  16.850  -8.396
  488    HA   SER  62           HA       SER  62  -6.299  16.263  -5.922
  489    HB2  SER  62           HB2      SER  62  -5.252  18.941  -6.928
  490    HB3  SER  62           HB3      SER  62  -5.625  18.506  -5.255
  491    HG   SER  62           HG       SER  62  -3.622  17.362  -6.936
  492    H    GLU  63           H        GLU  63  -7.136  18.403  -8.728
  493    HA   GLU  63           HA       GLU  63  -9.578  19.359  -7.577
  494    HB2  GLU  63           HB2      GLU  63  -8.286  20.444  -9.417
  495    HB3  GLU  63           HB3      GLU  63  -8.796  19.157 -10.517
  496    HG2  GLU  63           HG2      GLU  63 -11.156  19.786 -10.199
  497    HG3  GLU  63           HG3      GLU  63 -10.693  21.001  -9.004
  498    H    MET  64           H        MET  64  -8.800  16.518  -9.624
  499    HA   MET  64           HA       MET  64 -11.485  15.551  -9.908
  500    HB2  MET  64           HB2      MET  64  -8.819  14.087  -9.892
  501    HB3  MET  64           HB3      MET  64 -10.339  13.316 -10.267
  502    HG2  MET  64           HG2      MET  64  -9.202  15.669 -11.819
  503    HG3  MET  64           HG3      MET  64  -9.011  13.983 -12.271
  504    HE1  MET  64           HE1      MET  64 -10.871  12.397 -12.988
  505    HE2  MET  64           HE2      MET  64 -12.042  12.742 -11.695
  506    HE3  MET  64           HE3      MET  64 -12.537  12.868 -13.394
  507    H    GLY  65           H        GLY  65  -9.474  15.738  -7.086
  508    HA2  GLY  65           HA2      GLY  65 -10.260  15.418  -4.944
  509    HA3  GLY  65           HA3      GLY  65 -11.566  14.384  -5.533
  510    H    TYR  66           H        TYR  66  -8.335  13.597  -6.707
  511    HA   TYR  66           HA       TYR  66  -8.271  11.101  -5.173
  512    HB2  TYR  66           HB2      TYR  66  -6.392  12.437  -7.131
  513    HB3  TYR  66           HB3      TYR  66  -5.850  11.127  -6.095
  514    HD1  TYR  66           HD2      TYR  66  -8.697  11.875  -8.477
  515    HD2  TYR  66           HD1      TYR  66  -6.001   8.937  -6.828
  516    HE1  TYR  66           HE2      TYR  66  -9.709  10.134  -9.922
  517    HE2  TYR  66           HE1      TYR  66  -6.992   7.200  -8.277
  518    HH   TYR  66           HH       TYR  66  -8.660   6.690  -9.779
  519    H    THR  67           H        THR  67  -7.600  10.943  -3.148
  520    HA   THR  67           HA       THR  67  -6.929  13.384  -1.746
  521    HB   THR  67           HB       THR  67  -6.902  11.911   0.266
  522    HG1  THR  67           HG1      THR  67  -7.637   9.845  -1.542
  523   HG21  THR  67          HG21      THR  67  -9.329  11.489  -1.535
  524   HG22  THR  67          HG22      THR  67  -9.270  11.303   0.231
  525   HG23  THR  67          HG23      THR  67  -9.026  12.899  -0.499
  526    H    HIS  68           H        HIS  68  -5.024  10.809  -3.128
  527    HA   HIS  68           HA       HIS  68  -2.543  11.846  -1.846
  528    HB2  HIS  68           HB2      HIS  68  -3.476   8.958  -2.105
  529    HB3  HIS  68           HB3      HIS  68  -1.815   9.437  -1.764
  530    HD1  HIS  68           HD1      HIS  68  -5.303   9.837  -0.066
  531    HD2  HIS  68           HD2      HIS  68  -1.158   9.929   0.697
  532    HE1  HIS  68           HE1      HIS  68  -5.037  10.107   2.454
  533    H    VAL  69           H        VAL  69  -1.586  12.813  -3.531
  534    HA   VAL  69           HA       VAL  69  -0.952  11.213  -5.905
  535    HB   VAL  69           HB       VAL  69  -1.969  14.077  -6.133
  536   HG11  VAL  69          HG11      VAL  69  -1.424  11.978  -8.281
  537   HG12  VAL  69          HG12      VAL  69  -1.974  13.638  -8.546
  538   HG13  VAL  69          HG13      VAL  69  -0.366  13.338  -7.902
  539   HG21  VAL  69          HG21      VAL  69  -3.988  13.268  -7.205
  540   HG22  VAL  69          HG22      VAL  69  -3.523  11.576  -6.886
  541   HG23  VAL  69          HG23      VAL  69  -3.918  12.697  -5.557
  542    H    GLU  70           H        GLU  70   1.137  11.761  -6.623
  543    HA   GLU  70           HA       GLU  70   2.572  13.958  -5.228
  544    HB2  GLU  70           HB2      GLU  70   2.812  11.931  -3.844
  545    HB3  GLU  70           HB3      GLU  70   3.325  10.994  -5.253
  546    HG2  GLU  70           HG2      GLU  70   5.343  12.392  -5.475
  547    HG3  GLU  70           HG3      GLU  70   4.801  13.417  -4.140
  548    H    ASN  71           H        ASN  71   3.787  15.028  -6.722
  549    HA   ASN  71           HA       ASN  71   4.296  13.871  -9.395
  550    HB2  ASN  71           HB2      ASN  71   3.991  16.305  -9.261
  551    HB3  ASN  71           HB3      ASN  71   5.288  16.430  -8.062
  552   HD21  ASN  71          HD22      ASN  71   6.156  18.003  -9.787
  553   HD22  ASN  71          HD21      ASN  71   6.932  17.330 -11.203
  554    H    ALA  72           H        ALA  72   5.740  12.258  -9.448
  555    HA   ALA  72           HA       ALA  72   7.511  11.614  -7.335
  556    HB1  ALA  72           HB1      ALA  72   7.692  10.864 -10.277
  557    HB2  ALA  72           HB2      ALA  72   8.435   9.994  -8.916
  558    HB3  ALA  72           HB3      ALA  72   6.666  10.037  -9.076
  559    H    GLY  73           H        GLY  73   7.891  13.912  -9.967
  560    HA2  GLY  73           HA2      GLY  73   9.653  15.578  -9.820
  561    HA3  GLY  73           HA3      GLY  73  10.788  14.301  -9.317
  562    H    GLY  74           H        GLY  74   9.648  12.356 -11.245
  563    HA2  GLY  74           HA2      GLY  74   8.995  12.735 -13.678
  564    HA3  GLY  74           HA3      GLY  74  10.587  13.470 -13.849
  565    H    LEU  75           H        LEU  75  10.170  11.483 -15.471
  566    HA   LEU  75           HA       LEU  75  10.974   8.862 -14.615
  567    HB2  LEU  75           HB2      LEU  75   9.990   9.424 -16.860
  568    HB3  LEU  75           HB3      LEU  75  11.432  10.351 -17.249
  569    HG   LEU  75           HG       LEU  75  12.807   8.323 -17.256
  570   HD11  LEU  75          HD11      LEU  75  11.748   6.079 -17.119
  571   HD12  LEU  75          HD12      LEU  75  11.633   6.942 -15.575
  572   HD13  LEU  75          HD13      LEU  75  10.219   6.826 -16.640
  573   HD21  LEU  75          HD21      LEU  75  11.659   9.053 -19.316
  574   HD22  LEU  75          HD22      LEU  75  11.839   7.296 -19.264
  575   HD23  LEU  75          HD23      LEU  75  10.263   8.031 -18.912
  576    H    LYS  76           H        LYS  76  12.675  11.862 -15.330
  577    HA   LYS  76           HA       LYS  76  15.361  10.989 -15.304
  578    HB2  LYS  76           HB2      LYS  76  15.886  13.325 -14.961
  579    HB3  LYS  76           HB3      LYS  76  14.530  13.212 -16.080
  580    HG2  LYS  76           HG2      LYS  76  12.977  13.686 -14.103
  581    HG3  LYS  76           HG3      LYS  76  14.423  13.958 -13.121
  582    HD2  LYS  76           HD2      LYS  76  15.104  15.770 -14.746
  583    HD3  LYS  76           HD3      LYS  76  13.538  15.550 -15.563
  584    HE2  LYS  76           HE2      LYS  76  12.395  15.999 -13.356
  585    HE3  LYS  76           HE3      LYS  76  13.977  16.297 -12.631
  586    HZ1  LYS  76           HZ1      LYS  76  12.619  17.923 -14.695
  587    HZ2  LYS  76           HZ2      LYS  76  13.042  18.369 -13.193
  588    HZ3  LYS  76           HZ3      LYS  76  14.211  18.136 -14.304
  589    H    ASP  77           H        ASP  77  13.087  11.060 -12.652
  590    HA   ASP  77           HA       ASP  77  15.315  11.252 -10.670
  591    HB2  ASP  77           HB2      ASP  77  13.715  13.146 -10.663
  592    HB3  ASP  77           HB3      ASP  77  12.400  12.016 -10.327
  593    H    ILE  78           H        ILE  78  12.213   9.500 -11.465
  594    HA   ILE  78           HA       ILE  78  12.294   7.750  -9.254
  595    HB   ILE  78           HB       ILE  78  11.322   7.357 -12.112
  596   HG12  ILE  78          HG12      ILE  78   9.714   7.804  -9.554
  597   HG13  ILE  78          HG13      ILE  78  10.260   9.142 -10.564
  598   HG21  ILE  78          HG21      ILE  78  11.646   5.131 -11.255
  599   HG22  ILE  78          HG22      ILE  78  10.927   5.565  -9.669
  600   HG23  ILE  78          HG23      ILE  78   9.933   5.447 -11.118
  601   HD11  ILE  78          HD11      ILE  78   9.063   8.234 -12.506
  602   HD12  ILE  78          HD12      ILE  78   8.412   6.913 -11.494
  603   HD13  ILE  78          HD13      ILE  78   7.991   8.564 -11.115
  604    H    ALA  79           H        ALA  79  13.375   5.862  -8.783
  605    HA   ALA  79           HA       ALA  79  15.414   4.872 -10.700
  606    HB1  ALA  79           HB1      ALA  79  16.926   4.503  -8.794
  607    HB2  ALA  79           HB2      ALA  79  16.445   6.207  -8.862
  608    HB3  ALA  79           HB3      ALA  79  15.696   5.118  -7.669
  609    H    MET  80           H        MET  80  12.711   4.034 -10.278
  610    HA   MET  80           HA       MET  80  12.716   1.315  -9.148
  611    HB2  MET  80           HB2      MET  80  10.831   2.885 -10.967
  612    HB3  MET  80           HB3      MET  80  10.540   1.213 -10.545
  613    HG2  MET  80           HG2      MET  80  10.755   3.479  -8.535
  614    HG3  MET  80           HG3      MET  80   9.248   2.831  -9.173
  615    HE1  MET  80           HE1      MET  80   9.544  -0.358  -9.144
  616    HE2  MET  80           HE2      MET  80   8.858  -0.625  -7.530
  617    HE3  MET  80           HE3      MET  80   8.176   0.628  -8.591
  618    HA   PRO  81           HA       PRO  81  14.227  -0.719 -12.923
  619    HB2  PRO  81           HB2      PRO  81  11.613  -2.242 -12.896
  620    HB3  PRO  81           HB3      PRO  81  13.274  -2.867 -13.131
  621    HG2  PRO  81           HG2      PRO  81  12.035  -3.157 -10.739
  622    HG3  PRO  81           HG3      PRO  81  13.758  -2.657 -10.796
  623    HD2  PRO  81           HD2      PRO  81  11.309  -0.926 -10.412
  624    HD3  PRO  81           HD3      PRO  81  12.865  -0.887  -9.526
  625    H    LYS  82           H        LYS  82  13.885  -0.521 -15.211
  626    HA   LYS  82           HA       LYS  82  11.416   0.844 -16.125
  627    HB2  LYS  82           HB2      LYS  82  14.284   1.744 -16.656
  628    HB3  LYS  82           HB3      LYS  82  12.877   2.341 -17.544
  629    HG2  LYS  82           HG2      LYS  82  11.932   3.357 -15.563
  630    HG3  LYS  82           HG3      LYS  82  13.141   2.590 -14.532
  631    HD2  LYS  82           HD2      LYS  82  14.932   3.896 -15.738
  632    HD3  LYS  82           HD3      LYS  82  13.638   4.811 -16.545
  633    HE2  LYS  82           HE2      LYS  82  12.721   5.420 -14.274
  634    HE3  LYS  82           HE3      LYS  82  14.007   4.474 -13.524
  635    HZ1  LYS  82           HZ1      LYS  82  14.662   6.687 -13.430
  636    HZ2  LYS  82           HZ2      LYS  82  15.599   6.058 -14.615
  637    HZ3  LYS  82           HZ3      LYS  82  14.313   7.034 -14.974
  638    H    VAL  83           H        VAL  83  10.819   0.233 -18.216
  639    HA   VAL  83           HA       VAL  83  12.430  -1.824 -19.611
  640    HB   VAL  83           HB       VAL  83  10.171  -3.015 -19.759
  641   HG11  VAL  83          HG11      VAL  83  10.499  -4.268 -17.689
  642   HG12  VAL  83          HG12      VAL  83  12.069  -3.866 -18.401
  643   HG13  VAL  83          HG13      VAL  83  11.467  -2.951 -17.001
  644   HG21  VAL  83          HG21      VAL  83   8.745  -1.184 -18.835
  645   HG22  VAL  83          HG22      VAL  83   8.522  -2.738 -18.023
  646   HG23  VAL  83          HG23      VAL  83   9.467  -1.457 -17.239
  647    H    LYS  84           H        LYS  84  11.848  -2.025 -21.851
  648    HA   LYS  84           HA       LYS  84  10.893   0.424 -23.078
  649    HB2  LYS  84           HB2      LYS  84  11.243  -0.726 -25.190
  650    HB3  LYS  84           HB3      LYS  84  12.643  -0.870 -24.132
  651    HG2  LYS  84           HG2      LYS  84  11.996  -3.201 -23.561
  652    HG3  LYS  84           HG3      LYS  84  10.530  -3.042 -24.532
  653    HD2  LYS  84           HD2      LYS  84  12.163  -4.284 -25.784
  654    HD3  LYS  84           HD3      LYS  84  11.906  -2.720 -26.572
  655    HE2  LYS  84           HE2      LYS  84  13.993  -1.853 -25.530
  656    HE3  LYS  84           HE3      LYS  84  14.225  -3.396 -24.698
  657    HZ1  LYS  84           HZ1      LYS  84  15.552  -3.261 -26.706
  658    HZ2  LYS  84           HZ2      LYS  84  14.457  -4.454 -26.869
  659    HZ3  LYS  84           HZ3      LYS  84  14.238  -3.028 -27.639
  660    H    GLY  85           H        GLY  85   9.158   0.462 -24.686
  661    HA2  GLY  85           HA2      GLY  85   6.583  -0.183 -23.771
  662    HA3  GLY  85           HA3      GLY  85   7.032   0.179 -25.439
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1   3.057   0.633  -1.385
    2    H2   ALA   1           H2       ALA   1   1.851  -0.469  -1.388
    3    H3   ALA   1           H3       ALA   1   3.409  -0.957  -1.586
    4    HA   ALA   1           HA       ALA   1   3.565   0.221  -3.664
    5    HB1  ALA   1           HB1      ALA   1   1.191  -1.698  -3.573
    6    HB2  ALA   1           HB2      ALA   1   2.107  -1.229  -5.019
    7    HB3  ALA   1           HB3      ALA   1   2.902  -2.161  -3.740
    8    H    GLU   2           H        GLU   2   2.540   1.444  -5.342
    9    HA   GLU   2           HA       GLU   2  -0.033   2.773  -4.764
   10    HB2  GLU   2           HB2      GLU   2   0.977   4.938  -5.128
   11    HB3  GLU   2           HB3      GLU   2   1.746   4.166  -3.748
   12    HG2  GLU   2           HG2      GLU   2   2.971   4.263  -6.540
   13    HG3  GLU   2           HG3      GLU   2   3.195   5.482  -5.305
   14    H    HIS   3           H        HIS   3  -0.776   3.967  -6.752
   15    HA   HIS   3           HA       HIS   3  -0.136   2.397  -9.165
   16    HB2  HIS   3           HB2      HIS   3  -2.243   4.453  -8.463
   17    HB3  HIS   3           HB3      HIS   3  -1.924   3.986 -10.133
   18    HD1  HIS   3           HD1      HIS   3  -3.485   2.497  -6.931
   19    HD2  HIS   3           HD2      HIS   3  -2.464   1.459 -10.900
   20    HE1  HIS   3           HE1      HIS   3  -4.623   0.290  -7.417
   21    H    TRP   4           H        TRP   4   1.826   2.930  -9.957
   22    HA   TRP   4           HA       TRP   4   2.737   5.686 -10.310
   23    HB2  TRP   4           HB2      TRP   4   3.654   3.015 -11.436
   24    HB3  TRP   4           HB3      TRP   4   4.435   4.553 -11.779
   25    HD1  TRP   4           HD1      TRP   4   3.741   2.231  -8.773
   26    HE1  TRP   4           HE1      TRP   4   5.373   2.715  -6.904
   27    HE3  TRP   4           HE3      TRP   4   6.234   6.157 -10.922
   28    HZ2  TRP   4           HZ2      TRP   4   7.681   4.455  -6.468
   29    HZ3  TRP   4           HZ3      TRP   4   8.158   7.190  -9.759
   30    HH2  TRP   4           HH2      TRP   4   8.886   6.363  -7.533
   31    H    ILE   5           H        ILE   5   2.547   6.877 -12.272
   32    HA   ILE   5           HA       ILE   5   1.265   5.617 -14.621
   33    HB   ILE   5           HB       ILE   5   0.214   8.107 -13.209
   34   HG12  ILE   5          HG12      ILE   5  -0.957   5.307 -13.493
   35   HG13  ILE   5          HG13      ILE   5  -0.481   6.124 -11.994
   36   HG21  ILE   5          HG21      ILE   5   0.050   8.245 -15.705
   37   HG22  ILE   5          HG22      ILE   5  -0.845   6.714 -15.709
   38   HG23  ILE   5          HG23      ILE   5  -1.521   8.171 -14.939
   39   HD11  ILE   5          HD11      ILE   5  -2.291   7.759 -12.320
   40   HD12  ILE   5          HD12      ILE   5  -2.856   6.777 -13.706
   41   HD13  ILE   5          HD13      ILE   5  -2.805   6.067 -12.087
   42    H    ASP   6           H        ASP   6   1.913   6.555 -16.517
   43    HA   ASP   6           HA       ASP   6   4.026   8.674 -16.488
   44    HB2  ASP   6           HB2      ASP   6   4.792   6.748 -17.696
   45    HB3  ASP   6           HB3      ASP   6   3.217   6.479 -18.416
   46    H    VAL   7           H        VAL   7   3.233  10.638 -17.052
   47    HA   VAL   7           HA       VAL   7   0.582  10.722 -18.414
   48    HB   VAL   7           HB       VAL   7   0.046  12.727 -17.258
   49   HG11  VAL   7          HG11      VAL   7   1.142  10.703 -15.254
   50   HG12  VAL   7          HG12      VAL   7  -0.119  11.916 -14.974
   51   HG13  VAL   7          HG13      VAL   7  -0.414  10.594 -16.110
   52   HG21  VAL   7          HG21      VAL   7   2.761  12.551 -15.860
   53   HG22  VAL   7          HG22      VAL   7   2.341  13.726 -17.129
   54   HG23  VAL   7          HG23      VAL   7   1.484  13.749 -15.595
   55    H    ARG   8           H        ARG   8   3.436  10.808 -19.695
   56    HA   ARG   8           HA       ARG   8   2.902  13.294 -21.288
   57    HB2  ARG   8           HB2      ARG   8   5.397  12.259 -20.570
   58    HB3  ARG   8           HB3      ARG   8   5.131  11.555 -22.172
   59    HG2  ARG   8           HG2      ARG   8   4.560  13.870 -23.029
   60    HG3  ARG   8           HG3      ARG   8   5.022  14.527 -21.466
   61    HD2  ARG   8           HD2      ARG   8   7.230  14.342 -21.877
   62    HD3  ARG   8           HD3      ARG   8   7.081  12.771 -22.677
   63    HE   ARG   8           HE       ARG   8   6.471  15.407 -23.967
   64   HH11  ARG   8          HH11      ARG   8   8.007  12.169 -24.282
   65   HH12  ARG   8          HH12      ARG   8   8.144  12.350 -26.023
   66   HH21  ARG   8          HH21      ARG   8   6.837  15.507 -26.294
   67   HH22  ARG   8          HH22      ARG   8   7.553  14.110 -27.070
   68    H    VAL   9           H        VAL   9   3.572  12.532 -23.738
   69    HA   VAL   9           HA       VAL   9   1.531  10.812 -24.768
   70    HB   VAL   9           HB       VAL   9   3.216  10.849 -26.761
   71   HG11  VAL   9          HG11      VAL   9   1.168  12.220 -26.683
   72   HG12  VAL   9          HG12      VAL   9   2.012  13.460 -25.731
   73   HG13  VAL   9          HG13      VAL   9   2.501  13.131 -27.409
   74   HG21  VAL   9          HG21      VAL   9   5.192  11.576 -25.303
   75   HG22  VAL   9          HG22      VAL   9   4.940  12.457 -26.826
   76   HG23  VAL   9          HG23      VAL   9   4.455  13.197 -25.301
   77    HA   PRO  10           HA       PRO  10   3.423   6.819 -24.190
   78    HB2  PRO  10           HB2      PRO  10   2.790   5.495 -26.527
   79    HB3  PRO  10           HB3      PRO  10   1.620   5.829 -25.209
   80    HG2  PRO  10           HG2      PRO  10   2.103   7.417 -27.746
   81    HG3  PRO  10           HG3      PRO  10   0.531   6.870 -27.068
   82    HD2  PRO  10           HD2      PRO  10   1.424   9.378 -26.659
   83    HD3  PRO  10           HD3      PRO  10   0.634   8.485 -25.328
   84    H    GLU  11           H        GLU  11   4.401   8.854 -26.836
   85    HA   GLU  11           HA       GLU  11   6.484   7.587 -28.096
   86    HB2  GLU  11           HB2      GLU  11   5.715   9.895 -28.514
   87    HB3  GLU  11           HB3      GLU  11   6.344  10.401 -26.946
   88    HG2  GLU  11           HG2      GLU  11   8.662   9.832 -27.728
   89    HG3  GLU  11           HG3      GLU  11   7.988   9.461 -29.320
   90    H    GLN  12           H        GLN  12   6.619   9.128 -24.822
   91    HA   GLN  12           HA       GLN  12   9.433   8.503 -24.552
   92    HB2  GLN  12           HB2      GLN  12   9.372   9.480 -22.437
   93    HB3  GLN  12           HB3      GLN  12   8.305  10.419 -23.447
   94    HG2  GLN  12           HG2      GLN  12   6.950  10.346 -21.656
   95    HG3  GLN  12           HG3      GLN  12   6.425   8.815 -22.317
   96   HE21  GLN  12          HE22      GLN  12   6.278   7.326 -20.559
   97   HE22  GLN  12          HE21      GLN  12   7.483   7.154 -19.299
   98    H    TYR  13           H        TYR  13   6.427   6.927 -23.527
   99    HA   TYR  13           HA       TYR  13   7.461   4.957 -21.861
  100    HB2  TYR  13           HB2      TYR  13   5.040   5.718 -22.355
  101    HB3  TYR  13           HB3      TYR  13   5.091   4.661 -23.744
  102    HD1  TYR  13           HD2      TYR  13   5.023   2.220 -23.506
  103    HD2  TYR  13           HD1      TYR  13   4.860   4.848 -20.086
  104    HE1  TYR  13           HE2      TYR  13   4.061   0.389 -22.153
  105    HE2  TYR  13           HE1      TYR  13   3.914   3.013 -18.715
  106    HH   TYR  13           HH       TYR  13   3.230  -0.246 -20.074
  107    H    GLN  14           H        GLN  14   7.423   5.153 -25.421
  108    HA   GLN  14           HA       GLN  14   8.087   2.388 -25.874
  109    HB2  GLN  14           HB2      GLN  14   8.851   4.745 -27.646
  110    HB3  GLN  14           HB3      GLN  14   8.735   3.049 -28.098
  111    HG2  GLN  14           HG2      GLN  14   6.531   5.035 -27.604
  112    HG3  GLN  14           HG3      GLN  14   6.829   4.061 -29.020
  113   HE21  GLN  14          HE22      GLN  14   4.982   4.315 -26.182
  114   HE22  GLN  14          HE21      GLN  14   4.290   2.696 -26.184
  115    H    GLN  15           H        GLN  15  10.029   5.319 -25.198
  116    HA   GLN  15           HA       GLN  15  12.547   4.143 -25.967
  117    HB2  GLN  15           HB2      GLN  15  12.015   6.523 -24.119
  118    HB3  GLN  15           HB3      GLN  15  13.548   6.102 -24.881
  119    HG2  GLN  15           HG2      GLN  15  12.502   6.445 -27.125
  120    HG3  GLN  15           HG3      GLN  15  11.002   6.940 -26.331
  121   HE21  GLN  15          HE22      GLN  15  14.261   7.959 -27.204
  122   HE22  GLN  15          HE21      GLN  15  14.110   9.597 -26.622
  123    H    GLU  16           H        GLU  16  11.049   4.896 -22.775
  124    HA   GLU  16           HA       GLU  16  11.633   2.383 -21.662
  125    HB2  GLU  16           HB2      GLU  16  13.163   3.093 -19.823
  126    HB3  GLU  16           HB3      GLU  16  13.940   3.079 -21.398
  127    HG2  GLU  16           HG2      GLU  16  13.702   5.553 -21.563
  128    HG3  GLU  16           HG3      GLU  16  12.865   5.551 -20.011
  129    H    HIS  17           H        HIS  17  10.503   2.225 -19.605
  130    HA   HIS  17           HA       HIS  17   9.231   4.665 -18.545
  131    HB2  HIS  17           HB2      HIS  17   7.028   3.476 -18.476
  132    HB3  HIS  17           HB3      HIS  17   7.557   3.916 -20.086
  133    HD1  HIS  17           HD1      HIS  17   7.921   1.895 -21.805
  134    HD2  HIS  17           HD2      HIS  17   6.933   0.826 -17.855
  135    HE1  HIS  17           HE1      HIS  17   7.323  -0.582 -21.854
  136    H    VAL  18           H        VAL  18   8.667   4.475 -16.396
  137    HA   VAL  18           HA       VAL  18  10.094   2.731 -14.670
  138    HB   VAL  18           HB       VAL  18   7.530   4.339 -14.255
  139   HG11  VAL  18          HG11      VAL  18   7.809   2.716 -12.421
  140   HG12  VAL  18          HG12      VAL  18   9.505   3.210 -12.208
  141   HG13  VAL  18          HG13      VAL  18   8.184   4.338 -11.843
  142   HG21  VAL  18          HG21      VAL  18  10.441   5.090 -13.736
  143   HG22  VAL  18          HG22      VAL  18   9.406   5.775 -15.000
  144   HG23  VAL  18          HG23      VAL  18   9.014   6.072 -13.316
  145    H    GLN  19           H        GLN  19   9.735   0.612 -14.192
  146    HA   GLN  19           HA       GLN  19   8.180  -0.858 -15.881
  147    HB2  GLN  19           HB2      GLN  19   8.745  -2.822 -14.555
  148    HB3  GLN  19           HB3      GLN  19  10.097  -1.735 -14.839
  149    HG2  GLN  19           HG2      GLN  19  10.288  -2.597 -12.659
  150    HG3  GLN  19           HG3      GLN  19   9.963  -0.872 -12.562
  151   HE21  GLN  19          HE22      GLN  19   8.534  -0.330 -10.930
  152   HE22  GLN  19          HE21      GLN  19   7.248  -1.356 -10.353
  153    H    GLY  20           H        GLY  20   6.916   0.504 -12.914
  154    HA2  GLY  20           HA2      GLY  20   4.555  -1.301 -12.966
  155    HA3  GLY  20           HA3      GLY  20   5.064  -0.239 -11.652
  156    H    ALA  21           H        ALA  21   5.435   1.717 -14.257
  157    HA   ALA  21           HA       ALA  21   2.879   3.124 -13.815
  158    HB1  ALA  21           HB1      ALA  21   5.169   3.710 -15.741
  159    HB2  ALA  21           HB2      ALA  21   3.833   4.800 -15.324
  160    HB3  ALA  21           HB3      ALA  21   5.025   4.367 -14.091
  161    H    ILE  22           H        ILE  22   1.788   3.948 -15.731
  162    HA   ILE  22           HA       ILE  22   1.465   2.151 -18.024
  163    HB   ILE  22           HB       ILE  22  -1.045   2.340 -17.634
  164   HG12  ILE  22          HG12      ILE  22  -0.239   3.016 -14.755
  165   HG13  ILE  22          HG13      ILE  22  -1.056   4.098 -15.886
  166   HG21  ILE  22          HG21      ILE  22   0.411   0.658 -15.556
  167   HG22  ILE  22          HG22      ILE  22  -1.148   0.313 -16.331
  168   HG23  ILE  22          HG23      ILE  22   0.332   0.262 -17.286
  169   HD11  ILE  22          HD11      ILE  22  -2.702   3.233 -14.398
  170   HD12  ILE  22          HD12      ILE  22  -2.973   2.443 -15.967
  171   HD13  ILE  22          HD13      ILE  22  -2.174   1.562 -14.642
  172    H    ASN  23           H        ASN  23   0.895   3.409 -19.851
  173    HA   ASN  23           HA       ASN  23   1.391   6.273 -19.534
  174    HB2  ASN  23           HB2      ASN  23   2.362   5.104 -21.453
  175    HB3  ASN  23           HB3      ASN  23   0.746   4.633 -22.014
  176   HD21  ASN  23          HD22      ASN  23   2.853   7.498 -21.305
  177   HD22  ASN  23          HD21      ASN  23   1.879   8.643 -22.189
  178    H    ILE  24           H        ILE  24  -0.151   7.637 -18.955
  179    HA   ILE  24           HA       ILE  24  -2.819   7.522 -20.223
  180    HB   ILE  24           HB       ILE  24  -2.459   7.888 -17.224
  181   HG12  ILE  24          HG12      ILE  24  -3.662   5.550 -18.772
  182   HG13  ILE  24          HG13      ILE  24  -2.200   5.511 -17.781
  183   HG21  ILE  24          HG21      ILE  24  -4.985   7.736 -18.922
  184   HG22  ILE  24          HG22      ILE  24  -4.877   8.105 -17.176
  185   HG23  ILE  24          HG23      ILE  24  -4.266   9.252 -18.356
  186   HD11  ILE  24          HD11      ILE  24  -3.981   4.491 -16.552
  187   HD12  ILE  24          HD12      ILE  24  -3.568   6.026 -15.765
  188   HD13  ILE  24          HD13      ILE  24  -5.036   5.887 -16.764
  189    HA   PRO  25           HA       PRO  25  -0.298  11.295 -20.702
  190    HB2  PRO  25           HB2      PRO  25  -2.430  11.832 -22.776
  191    HB3  PRO  25           HB3      PRO  25  -0.658  12.101 -22.882
  192    HG2  PRO  25           HG2      PRO  25  -1.735   9.913 -24.040
  193    HG3  PRO  25           HG3      PRO  25  -0.245   9.740 -23.051
  194    HD2  PRO  25           HD2      PRO  25  -3.107   9.198 -22.215
  195    HD3  PRO  25           HD3      PRO  25  -1.657   8.180 -21.989
  196    H    LEU  26           H        LEU  26  -0.488  13.469 -20.182
  197    HA   LEU  26           HA       LEU  26  -2.132  14.292 -18.200
  198    HB2  LEU  26           HB2      LEU  26  -0.016  15.357 -18.915
  199    HB3  LEU  26           HB3      LEU  26  -0.803  15.971 -20.368
  200    HG   LEU  26           HG       LEU  26  -2.330  17.364 -18.911
  201   HD11  LEU  26          HD11      LEU  26  -0.441  16.438 -16.702
  202   HD12  LEU  26          HD12      LEU  26  -1.682  17.703 -16.549
  203   HD13  LEU  26          HD13      LEU  26  -2.162  16.025 -16.823
  204   HD21  LEU  26          HD21      LEU  26  -0.289  18.297 -19.935
  205   HD22  LEU  26          HD22      LEU  26  -0.663  19.049 -18.380
  206   HD23  LEU  26          HD23      LEU  26   0.641  17.845 -18.488
  207    H    LYS  27           H        LYS  27  -2.846  14.658 -21.675
  208    HA   LYS  27           HA       LYS  27  -5.052  16.449 -21.407
  209    HB2  LYS  27           HB2      LYS  27  -4.482  14.377 -23.578
  210    HB3  LYS  27           HB3      LYS  27  -5.635  15.711 -23.698
  211    HG2  LYS  27           HG2      LYS  27  -3.757  17.336 -23.374
  212    HG3  LYS  27           HG3      LYS  27  -2.615  15.976 -23.390
  213    HD2  LYS  27           HD2      LYS  27  -3.366  15.363 -25.673
  214    HD3  LYS  27           HD3      LYS  27  -4.505  16.728 -25.664
  215    HE2  LYS  27           HE2      LYS  27  -2.604  18.304 -25.359
  216    HE3  LYS  27           HE3      LYS  27  -1.472  16.946 -25.381
  217    HZ1  LYS  27           HZ1      LYS  27  -2.175  16.486 -27.661
  218    HZ2  LYS  27           HZ2      LYS  27  -3.219  17.745 -27.639
  219    HZ3  LYS  27           HZ3      LYS  27  -1.616  18.011 -27.539
  220    H    GLU  28           H        GLU  28  -4.831  13.104 -20.583
  221    HA   GLU  28           HA       GLU  28  -7.797  12.747 -20.726
  222    HB2  GLU  28           HB2      GLU  28  -5.505  10.825 -21.336
  223    HB3  GLU  28           HB3      GLU  28  -7.201  10.378 -21.245
  224    HG2  GLU  28           HG2      GLU  28  -7.682  12.095 -23.055
  225    HG3  GLU  28           HG3      GLU  28  -5.934  12.272 -23.253
  226    H    VAL  29           H        VAL  29  -4.882  12.342 -18.817
  227    HA   VAL  29           HA       VAL  29  -5.514  10.555 -16.929
  228    HB   VAL  29           HB       VAL  29  -3.425  12.076 -17.206
  229   HG11  VAL  29          HG11      VAL  29  -4.732  13.722 -15.018
  230   HG12  VAL  29          HG12      VAL  29  -3.114  13.904 -15.714
  231   HG13  VAL  29          HG13      VAL  29  -4.537  14.250 -16.705
  232   HG21  VAL  29          HG21      VAL  29  -2.668  11.580 -14.927
  233   HG22  VAL  29          HG22      VAL  29  -4.339  11.246 -14.426
  234   HG23  VAL  29          HG23      VAL  29  -3.539  10.212 -15.631
  235    H    LYS  30           H        LYS  30  -6.940  13.802 -17.025
  236    HA   LYS  30           HA       LYS  30  -8.092  13.934 -14.484
  237    HB2  LYS  30           HB2      LYS  30  -7.970  15.736 -16.265
  238    HB3  LYS  30           HB3      LYS  30  -9.329  14.950 -17.078
  239    HG2  LYS  30           HG2      LYS  30 -10.775  15.356 -15.128
  240    HG3  LYS  30           HG3      LYS  30  -9.394  15.934 -14.188
  241    HD2  LYS  30           HD2      LYS  30 -10.699  17.820 -14.903
  242    HD3  LYS  30           HD3      LYS  30  -9.137  17.853 -15.735
  243    HE2  LYS  30           HE2      LYS  30 -10.199  16.890 -17.769
  244    HE3  LYS  30           HE3      LYS  30 -11.750  16.801 -16.924
  245    HZ1  LYS  30           HZ1      LYS  30 -11.612  18.762 -18.321
  246    HZ2  LYS  30           HZ2      LYS  30 -11.726  19.223 -16.764
  247    HZ3  LYS  30           HZ3      LYS  30 -10.289  19.306 -17.542
  248    H    GLU  31           H        GLU  31  -9.199  12.057 -17.297
  249    HA   GLU  31           HA       GLU  31 -11.687  11.306 -15.806
  250    HB2  GLU  31           HB2      GLU  31 -10.937  11.073 -18.751
  251    HB3  GLU  31           HB3      GLU  31 -12.424  10.447 -18.024
  252    HG2  GLU  31           HG2      GLU  31 -13.019  12.756 -17.283
  253    HG3  GLU  31           HG3      GLU  31 -11.576  13.378 -18.085
  254    H    ARG  32           H        ARG  32  -8.852   9.949 -17.585
  255    HA   ARG  32           HA       ARG  32  -9.701   7.219 -17.233
  256    HB2  ARG  32           HB2      ARG  32  -7.094   8.541 -18.017
  257    HB3  ARG  32           HB3      ARG  32  -7.160   6.803 -17.722
  258    HG2  ARG  32           HG2      ARG  32  -7.350   7.206 -20.071
  259    HG3  ARG  32           HG3      ARG  32  -8.860   6.512 -19.473
  260    HD2  ARG  32           HD2      ARG  32  -9.989   8.657 -19.619
  261    HD3  ARG  32           HD3      ARG  32  -8.449   9.493 -19.830
  262    HE   ARG  32           HE       ARG  32  -8.383   8.963 -22.069
  263   HH11  ARG  32          HH21      ARG  32 -11.091   7.110 -20.663
  264   HH12  ARG  32          HH22      ARG  32 -11.721   6.674 -22.208
  265   HH21  ARG  32          HH11      ARG  32  -9.142   8.441 -23.956
  266   HH22  ARG  32          HH12      ARG  32 -10.571   7.452 -24.197
  267    H    ILE  33           H        ILE  33  -8.079   9.391 -14.984
  268    HA   ILE  33           HA       ILE  33  -6.855   7.471 -13.360
  269    HB   ILE  33           HB       ILE  33  -6.635   9.914 -13.105
  270   HG12  ILE  33          HG12      ILE  33  -6.704   9.970 -10.577
  271   HG13  ILE  33          HG13      ILE  33  -7.437   8.376 -10.618
  272   HG21  ILE  33          HG21      ILE  33  -9.043  10.545 -13.372
  273   HG22  ILE  33          HG22      ILE  33  -9.376   9.874 -11.766
  274   HG23  ILE  33          HG23      ILE  33  -8.309  11.264 -11.946
  275   HD11  ILE  33          HD11      ILE  33  -4.723   9.080 -11.818
  276   HD12  ILE  33          HD12      ILE  33  -4.988   8.308 -10.242
  277   HD13  ILE  33          HD13      ILE  33  -5.433   7.456 -11.727
  278    H    ALA  34           H        ALA  34 -10.350   8.219 -13.703
  279    HA   ALA  34           HA       ALA  34 -11.185   6.987 -11.285
  280    HB1  ALA  34           HB1      ALA  34 -12.686   7.281 -13.930
  281    HB2  ALA  34           HB2      ALA  34 -13.410   6.936 -12.346
  282    HB3  ALA  34           HB3      ALA  34 -12.614   8.496 -12.630
  283    H    THR  35           H        THR  35 -10.667   5.612 -14.579
  284    HA   THR  35           HA       THR  35 -11.501   2.950 -13.755
  285    HB   THR  35           HB       THR  35 -10.335   2.521 -16.121
  286    HG1  THR  35           HG1      THR  35  -9.428   4.643 -16.296
  287   HG21  THR  35          HG21      THR  35 -12.440   3.196 -17.228
  288   HG22  THR  35          HG22      THR  35 -12.757   2.374 -15.692
  289   HG23  THR  35          HG23      THR  35 -12.902   4.143 -15.794
  290    H    ALA  36           H        ALA  36  -8.378   4.696 -14.108
  291    HA   ALA  36           HA       ALA  36  -6.760   2.346 -13.834
  292    HB1  ALA  36           HB1      ALA  36  -6.105   5.278 -13.302
  293    HB2  ALA  36           HB2      ALA  36  -4.929   3.965 -13.506
  294    HB3  ALA  36           HB3      ALA  36  -5.970   4.440 -14.864
  295    H    VAL  37           H        VAL  37  -8.101   4.656 -11.476
  296    HA   VAL  37           HA       VAL  37  -7.036   3.090  -9.195
  297    HB   VAL  37           HB       VAL  37  -6.920   6.064  -9.428
  298   HG11  VAL  37          HG11      VAL  37  -5.683   4.145  -7.406
  299   HG12  VAL  37          HG12      VAL  37  -5.542   5.916  -7.393
  300   HG13  VAL  37          HG13      VAL  37  -7.106   5.164  -7.111
  301   HG21  VAL  37          HG21      VAL  37  -4.431   5.786  -9.532
  302   HG22  VAL  37          HG22      VAL  37  -4.689   4.046  -9.792
  303   HG23  VAL  37          HG23      VAL  37  -5.256   5.229 -10.982
  304    HA   PRO  38           HA       PRO  38 -11.568   3.960  -9.185
  305    HB2  PRO  38           HB2      PRO  38 -12.532   1.518  -8.390
  306    HB3  PRO  38           HB3      PRO  38 -11.959   1.870 -10.046
  307    HG2  PRO  38           HG2      PRO  38 -10.403   0.582  -7.780
  308    HG3  PRO  38           HG3      PRO  38 -10.592   0.000  -9.470
  309    HD2  PRO  38           HD2      PRO  38  -8.418   1.434  -8.676
  310    HD3  PRO  38           HD3      PRO  38  -9.135   1.651 -10.302
  311    H    ASP  39           H        ASP  39  -9.474   4.072  -6.739
  312    HA   ASP  39           HA       ASP  39 -11.553   4.828  -4.801
  313    HB2  ASP  39           HB2      ASP  39 -10.973   2.671  -3.910
  314    HB3  ASP  39           HB3      ASP  39  -9.248   2.955  -4.170
  315    H    LYS  40           H        LYS  40 -11.151   6.979  -4.843
  316    HA   LYS  40           HA       LYS  40  -8.675   8.059  -5.650
  317    HB2  LYS  40           HB2      LYS  40  -9.593  10.172  -5.412
  318    HB3  LYS  40           HB3      LYS  40 -10.916   9.124  -5.919
  319    HG2  LYS  40           HG2      LYS  40 -11.614   8.969  -3.481
  320    HG3  LYS  40           HG3      LYS  40 -10.319  10.124  -3.102
  321    HD2  LYS  40           HD2      LYS  40 -11.413  11.720  -4.793
  322    HD3  LYS  40           HD3      LYS  40 -12.804  10.597  -4.796
  323    HE2  LYS  40           HE2      LYS  40 -12.817  10.730  -2.290
  324    HE3  LYS  40           HE3      LYS  40 -11.505  11.912  -2.380
  325    HZ1  LYS  40           HZ1      LYS  40 -14.239  12.302  -3.485
  326    HZ2  LYS  40           HZ2      LYS  40 -13.662  13.002  -2.134
  327    HZ3  LYS  40           HZ3      LYS  40 -13.029  13.399  -3.581
  328    H    ASN  41           H        ASN  41  -9.430   6.805  -2.556
  329    HA   ASN  41           HA       ASN  41  -7.591   8.585  -1.140
  330    HB2  ASN  41           HB2      ASN  41  -9.585   7.505  -0.046
  331    HB3  ASN  41           HB3      ASN  41  -8.777   5.944  -0.229
  332   HD21  ASN  41          HD22      ASN  41  -7.698   5.320   1.651
  333   HD22  ASN  41          HD21      ASN  41  -6.981   6.425   2.793
  334    H    ASP  42           H        ASP  42  -7.205   5.845  -3.236
  335    HA   ASP  42           HA       ASP  42  -4.941   4.646  -1.898
  336    HB2  ASP  42           HB2      ASP  42  -6.316   3.427  -3.559
  337    HB3  ASP  42           HB3      ASP  42  -5.763   4.540  -4.820
  338    H    THR  43           H        THR  43  -2.716   4.799  -2.505
  339    HA   THR  43           HA       THR  43  -1.828   7.470  -3.056
  340    HB   THR  43           HB       THR  43  -0.212   4.902  -2.950
  341    HG1  THR  43           HG1      THR  43  -0.162   5.149  -0.753
  342   HG21  THR  43          HG21      THR  43   1.577   6.351  -2.048
  343   HG22  THR  43          HG22      THR  43   1.069   6.941  -3.635
  344   HG23  THR  43          HG23      THR  43   0.513   7.770  -2.169
  345    H    VAL  44           H        VAL  44  -0.816   8.283  -4.909
  346    HA   VAL  44           HA       VAL  44  -0.613   6.552  -7.307
  347    HB   VAL  44           HB       VAL  44  -1.928   9.307  -7.236
  348   HG11  VAL  44          HG11      VAL  44  -0.764   8.886  -9.384
  349   HG12  VAL  44          HG12      VAL  44  -1.659   7.360  -9.568
  350   HG13  VAL  44          HG13      VAL  44  -2.511   8.916  -9.594
  351   HG21  VAL  44          HG21      VAL  44  -3.522   7.744  -6.310
  352   HG22  VAL  44          HG22      VAL  44  -4.019   8.121  -7.955
  353   HG23  VAL  44          HG23      VAL  44  -3.206   6.576  -7.609
  354    H    LYS  45           H        LYS  45   1.115   7.209  -8.666
  355    HA   LYS  45           HA       LYS  45   2.678   9.582  -7.798
  356    HB2  LYS  45           HB2      LYS  45   3.681   6.733  -8.046
  357    HB3  LYS  45           HB3      LYS  45   4.737   8.078  -8.493
  358    HG2  LYS  45           HG2      LYS  45   4.423   9.133  -6.295
  359    HG3  LYS  45           HG3      LYS  45   3.324   7.830  -5.808
  360    HD2  LYS  45           HD2      LYS  45   5.213   6.202  -6.117
  361    HD3  LYS  45           HD3      LYS  45   6.295   7.568  -6.452
  362    HE2  LYS  45           HE2      LYS  45   6.006   8.481  -4.258
  363    HE3  LYS  45           HE3      LYS  45   4.595   7.466  -3.934
  364    HZ1  LYS  45           HZ1      LYS  45   5.974   5.547  -3.826
  365    HZ2  LYS  45           HZ2      LYS  45   7.337   6.401  -4.228
  366    HZ3  LYS  45           HZ3      LYS  45   6.583   6.672  -2.806
  367    H    VAL  46           H        VAL  46   3.292  10.808  -9.474
  368    HA   VAL  46           HA       VAL  46   2.803   9.715 -12.212
  369    HB   VAL  46           HB       VAL  46   2.144  12.046 -12.829
  370   HG11  VAL  46          HG11      VAL  46  -0.163  11.824 -12.028
  371   HG12  VAL  46          HG12      VAL  46   0.488  10.257 -12.518
  372   HG13  VAL  46          HG13      VAL  46   0.350  10.658 -10.792
  373   HG21  VAL  46          HG21      VAL  46   1.297  13.581 -11.127
  374   HG22  VAL  46          HG22      VAL  46   1.811  12.501  -9.824
  375   HG23  VAL  46          HG23      VAL  46   3.017  13.297 -10.858
  376    H    TYR  47           H        TYR  47   4.328  10.049 -13.726
  377    HA   TYR  47           HA       TYR  47   6.381  12.043 -13.289
  378    HB2  TYR  47           HB2      TYR  47   8.259  10.734 -13.642
  379    HB3  TYR  47           HB3      TYR  47   7.321   9.735 -12.554
  380    HD1  TYR  47           HD1      TYR  47   5.809   7.889 -13.644
  381    HD2  TYR  47           HD2      TYR  47   8.946   9.958 -15.765
  382    HE1  TYR  47           HE1      TYR  47   5.783   6.158 -15.394
  383    HE2  TYR  47           HE2      TYR  47   8.902   8.224 -17.526
  384    HH   TYR  47           HH       TYR  47   6.644   5.440 -17.425
  385    H    CYS  48           H        CYS  48   7.563  12.313 -15.483
  386    HA   CYS  48           HA       CYS  48   6.288  11.294 -17.856
  387    HB2  CYS  48           HB2      CYS  48   5.734  13.514 -18.822
  388    HB3  CYS  48           HB3      CYS  48   4.804  13.242 -17.346
  389    HG   CYS  48           HG       CYS  48   6.456  14.505 -15.757
  390    H    ASN  49           H        ASN  49   7.655  12.658 -19.770
  391    HA   ASN  49           HA       ASN  49  10.302  11.848 -19.395
  392    HB2  ASN  49           HB2      ASN  49   9.234  12.223 -21.606
  393    HB3  ASN  49           HB3      ASN  49   9.318  13.971 -21.332
  394   HD21  ASN  49          HD22      ASN  49  11.063  14.911 -22.398
  395   HD22  ASN  49          HD21      ASN  49  12.596  14.127 -22.653
  396    H    ALA  50           H        ALA  50   8.912  15.018 -18.542
  397    HA   ALA  50           HA       ALA  50  11.642  15.990 -17.807
  398    HB1  ALA  50           HB1      ALA  50  10.904  16.841 -20.015
  399    HB2  ALA  50           HB2      ALA  50   9.452  17.536 -19.255
  400    HB3  ALA  50           HB3      ALA  50  11.067  18.139 -18.825
  401    H    GLY  51           H        GLY  51   8.911  15.144 -16.257
  402    HA2  GLY  51           HA2      GLY  51   8.359  15.527 -14.066
  403    HA3  GLY  51           HA3      GLY  51   9.516  16.853 -14.001
  404    H    ARG  52           H        ARG  52   8.274  18.315 -16.276
  405    HA   ARG  52           HA       ARG  52   6.494  19.928 -14.849
  406    HB2  ARG  52           HB2      ARG  52   7.735  20.801 -16.730
  407    HB3  ARG  52           HB3      ARG  52   7.014  19.637 -17.839
  408    HG2  ARG  52           HG2      ARG  52   6.098  21.871 -18.179
  409    HG3  ARG  52           HG3      ARG  52   4.844  20.733 -17.696
  410    HD2  ARG  52           HD2      ARG  52   4.954  21.619 -15.365
  411    HD3  ARG  52           HD3      ARG  52   6.190  22.783 -15.881
  412    HE   ARG  52           HE       ARG  52   4.178  23.285 -17.632
  413   HH11  ARG  52          HH11      ARG  52   4.223  23.097 -14.086
  414   HH12  ARG  52          HH12      ARG  52   2.907  24.188 -13.869
  415   HH21  ARG  52          HH21      ARG  52   2.428  24.747 -17.345
  416   HH22  ARG  52          HH22      ARG  52   1.870  25.148 -15.768
  417    H    GLN  53           H        GLN  53   5.655  17.449 -17.361
  418    HA   GLN  53           HA       GLN  53   2.862  18.095 -17.145
  419    HB2  GLN  53           HB2      GLN  53   4.077  15.552 -18.286
  420    HB3  GLN  53           HB3      GLN  53   2.453  16.154 -18.556
  421    HG2  GLN  53           HG2      GLN  53   5.021  17.526 -19.484
  422    HG3  GLN  53           HG3      GLN  53   3.963  16.534 -20.468
  423   HE21  GLN  53          HE22      GLN  53   2.544  17.693 -21.748
  424   HE22  GLN  53          HE21      GLN  53   1.936  19.281 -21.362
  425    H    SER  54           H        SER  54   4.923  15.740 -15.379
  426    HA   SER  54           HA       SER  54   2.701  14.517 -14.004
  427    HB2  SER  54           HB2      SER  54   4.749  14.170 -12.305
  428    HB3  SER  54           HB3      SER  54   4.458  13.199 -13.745
  429    HG   SER  54           HG       SER  54   6.683  14.165 -13.357
  430    H    GLY  55           H        GLY  55   4.700  17.438 -13.447
  431    HA2  GLY  55           HA2      GLY  55   3.670  18.265 -10.955
  432    HA3  GLY  55           HA3      GLY  55   4.208  19.313 -12.289
  433    H    GLN  56           H        GLN  56   2.474  19.004 -14.276
  434    HA   GLN  56           HA       GLN  56   0.126  20.372 -13.457
  435    HB2  GLN  56           HB2      GLN  56   0.595  18.771 -16.001
  436    HB3  GLN  56           HB3      GLN  56  -0.687  19.955 -15.729
  437    HG2  GLN  56           HG2      GLN  56   1.437  21.527 -15.142
  438    HG3  GLN  56           HG3      GLN  56   2.249  20.391 -16.219
  439   HE21  GLN  56          HE22      GLN  56   1.957  20.676 -18.500
  440   HE22  GLN  56          HE21      GLN  56   0.856  21.864 -19.154
  441    H    ALA  57           H        ALA  57   0.557  16.882 -14.346
  442    HA   ALA  57           HA       ALA  57  -2.158  16.180 -14.003
  443    HB1  ALA  57           HB1      ALA  57   0.324  14.467 -13.557
  444    HB2  ALA  57           HB2      ALA  57  -1.334  13.862 -13.743
  445    HB3  ALA  57           HB3      ALA  57  -0.548  14.687 -15.100
  446    H    LYS  58           H        LYS  58   0.435  16.589 -11.620
  447    HA   LYS  58           HA       LYS  58  -0.991  15.271  -9.485
  448    HB2  LYS  58           HB2      LYS  58   1.493  15.844  -9.540
  449    HB3  LYS  58           HB3      LYS  58   1.069  17.500  -9.102
  450    HG2  LYS  58           HG2      LYS  58   0.118  15.104  -7.489
  451    HG3  LYS  58           HG3      LYS  58   1.741  15.740  -7.267
  452    HD2  LYS  58           HD2      LYS  58   0.997  17.780  -6.363
  453    HD3  LYS  58           HD3      LYS  58  -0.640  17.593  -6.989
  454    HE2  LYS  58           HE2      LYS  58  -0.920  15.556  -5.528
  455    HE3  LYS  58           HE3      LYS  58   0.640  15.937  -4.776
  456    HZ1  LYS  58           HZ1      LYS  58  -0.367  18.109  -4.139
  457    HZ2  LYS  58           HZ2      LYS  58  -1.805  17.608  -4.773
  458    HZ3  LYS  58           HZ3      LYS  58  -1.161  16.842  -3.481
  459    H    GLU  59           H        GLU  59  -0.891  18.684 -10.628
  460    HA   GLU  59           HA       GLU  59  -2.692  19.660  -8.629
  461    HB2  GLU  59           HB2      GLU  59  -2.103  20.684 -11.441
  462    HB3  GLU  59           HB3      GLU  59  -3.060  21.547 -10.243
  463    HG2  GLU  59           HG2      GLU  59  -0.131  20.767  -9.905
  464    HG3  GLU  59           HG3      GLU  59  -0.718  22.350 -10.388
  465    H    ILE  60           H        ILE  60  -3.305  18.372 -11.964
  466    HA   ILE  60           HA       ILE  60  -6.104  18.744 -11.990
  467    HB   ILE  60           HB       ILE  60  -4.420  16.503 -13.192
  468   HG12  ILE  60          HG12      ILE  60  -5.661  18.983 -14.472
  469   HG13  ILE  60          HG13      ILE  60  -3.958  18.798 -14.063
  470   HG21  ILE  60          HG21      ILE  60  -6.307  15.918 -14.622
  471   HG22  ILE  60          HG22      ILE  60  -6.796  15.739 -12.959
  472   HG23  ILE  60          HG23      ILE  60  -7.314  17.176 -13.861
  473   HD11  ILE  60          HD11      ILE  60  -5.512  17.319 -16.211
  474   HD12  ILE  60          HD12      ILE  60  -4.079  18.338 -16.379
  475   HD13  ILE  60          HD13      ILE  60  -3.948  16.735 -15.614
  476    H    LEU  61           H        LEU  61  -4.227  15.901 -10.769
  477    HA   LEU  61           HA       LEU  61  -6.635  14.554  -9.991
  478    HB2  LEU  61           HB2      LEU  61  -3.749  14.039  -9.207
  479    HB3  LEU  61           HB3      LEU  61  -5.124  12.965  -8.880
  480    HG   LEU  61           HG       LEU  61  -4.009  13.653 -11.626
  481   HD11  LEU  61          HD11      LEU  61  -2.718  11.997 -10.348
  482   HD12  LEU  61          HD12      LEU  61  -4.190  11.037 -10.083
  483   HD13  LEU  61          HD13      LEU  61  -3.533  11.252 -11.724
  484   HD21  LEU  61          HD21      LEU  61  -6.520  12.160 -10.865
  485   HD22  LEU  61          HD22      LEU  61  -6.363  13.546 -11.961
  486   HD23  LEU  61          HD23      LEU  61  -5.712  11.987 -12.449
  487    H    SER  62           H        SER  62  -4.536  16.824  -8.283
  488    HA   SER  62           HA       SER  62  -5.651  16.375  -5.667
  489    HB2  SER  62           HB2      SER  62  -4.470  18.924  -6.846
  490    HB3  SER  62           HB3      SER  62  -4.730  18.569  -5.130
  491    HG   SER  62           HG       SER  62  -3.003  17.220  -6.951
  492    H    GLU  63           H        GLU  63  -6.585  18.551  -8.429
  493    HA   GLU  63           HA       GLU  63  -8.825  19.708  -7.040
  494    HB2  GLU  63           HB2      GLU  63  -8.148  19.451  -9.999
  495    HB3  GLU  63           HB3      GLU  63  -9.593  20.266  -9.396
  496    HG2  GLU  63           HG2      GLU  63  -8.177  21.793  -8.041
  497    HG3  GLU  63           HG3      GLU  63  -6.729  21.044  -8.703
  498    H    MET  64           H        MET  64  -8.448  16.763  -9.031
  499    HA   MET  64           HA       MET  64 -11.234  16.006  -8.942
  500    HB2  MET  64           HB2      MET  64  -8.689  14.407  -9.388
  501    HB3  MET  64           HB3      MET  64 -10.293  13.713  -9.494
  502    HG2  MET  64           HG2      MET  64  -9.316  16.025 -11.205
  503    HG3  MET  64           HG3      MET  64  -9.309  14.338 -11.696
  504    HE1  MET  64           HE1      MET  64 -11.362  12.870 -12.092
  505    HE2  MET  64           HE2      MET  64 -12.252  13.254 -10.602
  506    HE3  MET  64           HE3      MET  64 -13.043  13.443 -12.178
  507    H    GLY  65           H        GLY  65  -8.943  16.197  -6.401
  508    HA2  GLY  65           HA2      GLY  65  -9.412  15.890  -4.192
  509    HA3  GLY  65           HA3      GLY  65 -10.871  14.981  -4.599
  510    H    TYR  66           H        TYR  66  -7.825  13.932  -6.056
  511    HA   TYR  66           HA       TYR  66  -7.863  11.435  -4.505
  512    HB2  TYR  66           HB2      TYR  66  -6.052  12.520  -6.690
  513    HB3  TYR  66           HB3      TYR  66  -5.733  11.025  -5.815
  514    HD1  TYR  66           HD2      TYR  66  -8.518  12.662  -7.777
  515    HD2  TYR  66           HD1      TYR  66  -6.504   9.003  -6.706
  516    HE1  TYR  66           HE2      TYR  66 -10.124  11.388  -9.156
  517    HE2  TYR  66           HE1      TYR  66  -8.097   7.722  -8.111
  518    HH   TYR  66           HH       TYR  66 -10.851   9.283  -9.808
  519    H    THR  67           H        THR  67  -6.912  11.304  -2.521
  520    HA   THR  67           HA       THR  67  -5.761  13.724  -1.461
  521    HB   THR  67           HB       THR  67  -5.868  12.230   0.671
  522    HG1  THR  67           HG1      THR  67  -7.085  10.388   0.439
  523   HG21  THR  67          HG21      THR  67  -8.305  12.497   0.833
  524   HG22  THR  67          HG22      THR  67  -7.583  13.933   0.089
  525   HG23  THR  67          HG23      THR  67  -8.426  12.739  -0.923
  526    H    HIS  68           H        HIS  68  -4.301  10.831  -2.716
  527    HA   HIS  68           HA       HIS  68  -1.739  11.458  -1.314
  528    HB2  HIS  68           HB2      HIS  68  -3.136   8.776  -1.618
  529    HB3  HIS  68           HB3      HIS  68  -1.446   8.952  -1.142
  530    HD1  HIS  68           HD1      HIS  68  -0.995  10.267   1.259
  531    HD2  HIS  68           HD2      HIS  68  -4.931   9.103   0.326
  532    HE1  HIS  68           HE1      HIS  68  -2.310  10.386   3.433
  533    H    VAL  69           H        VAL  69  -2.351  12.432  -3.859
  534    HA   VAL  69           HA       VAL  69  -0.826  10.780  -5.766
  535    HB   VAL  69           HB       VAL  69  -1.696  13.668  -6.108
  536   HG11  VAL  69          HG11      VAL  69  -0.073  12.758  -7.787
  537   HG12  VAL  69          HG12      VAL  69  -1.204  11.443  -8.149
  538   HG13  VAL  69          HG13      VAL  69  -1.638  13.127  -8.504
  539   HG21  VAL  69          HG21      VAL  69  -3.708  12.894  -7.219
  540   HG22  VAL  69          HG22      VAL  69  -3.345  11.202  -6.806
  541   HG23  VAL  69          HG23      VAL  69  -3.732  12.405  -5.550
  542    H    GLU  70           H        GLU  70   1.367  11.261  -6.293
  543    HA   GLU  70           HA       GLU  70   2.607  13.653  -5.050
  544    HB2  GLU  70           HB2      GLU  70   2.968  11.733  -3.547
  545    HB3  GLU  70           HB3      GLU  70   3.656  10.793  -4.874
  546    HG2  GLU  70           HG2      GLU  70   5.528  12.352  -5.067
  547    HG3  GLU  70           HG3      GLU  70   4.789  13.445  -3.892
  548    H    ASN  71           H        ASN  71   4.096  14.627  -6.353
  549    HA   ASN  71           HA       ASN  71   4.479  13.731  -9.125
  550    HB2  ASN  71           HB2      ASN  71   4.372  16.148  -8.620
  551    HB3  ASN  71           HB3      ASN  71   5.723  16.000  -7.495
  552   HD21  ASN  71          HD22      ASN  71   4.819  16.244 -10.868
  553   HD22  ASN  71          HD21      ASN  71   6.437  16.258 -11.524
  554    H    ALA  72           H        ALA  72   5.733  11.910  -9.339
  555    HA   ALA  72           HA       ALA  72   7.690  11.130  -7.349
  556    HB1  ALA  72           HB1      ALA  72   6.506   9.467  -8.714
  557    HB2  ALA  72           HB2      ALA  72   7.222  10.138 -10.198
  558    HB3  ALA  72           HB3      ALA  72   8.256   9.368  -8.976
  559    H    GLY  73           H        GLY  73   7.786  12.791 -10.520
  560    HA2  GLY  73           HA2      GLY  73   9.787  14.512 -10.364
  561    HA3  GLY  73           HA3      GLY  73  10.716  13.003 -10.477
  562    H    GLY  74           H        GLY  74  11.522  13.414 -12.504
  563    HA2  GLY  74           HA2      GLY  74   9.613  13.017 -14.740
  564    HA3  GLY  74           HA3      GLY  74  11.064  14.023 -14.917
  565    H    LEU  75           H        LEU  75  10.748  11.805 -16.529
  566    HA   LEU  75           HA       LEU  75  11.467   9.319 -15.615
  567    HB2  LEU  75           HB2      LEU  75  10.601   9.789 -17.881
  568    HB3  LEU  75           HB3      LEU  75  12.064  10.686 -18.280
  569    HG   LEU  75           HG       LEU  75  13.402   8.593 -18.139
  570   HD11  LEU  75          HD11      LEU  75  11.826   7.330 -16.587
  571   HD12  LEU  75          HD12      LEU  75  10.738   7.120 -17.977
  572   HD13  LEU  75          HD13      LEU  75  12.354   6.422 -18.009
  573   HD21  LEU  75          HD21      LEU  75  11.082   8.356 -20.074
  574   HD22  LEU  75          HD22      LEU  75  12.442   9.482 -20.265
  575   HD23  LEU  75          HD23      LEU  75  12.733   7.746 -20.271
  576    H    LYS  76           H        LYS  76  13.682  11.956 -16.442
  577    HA   LYS  76           HA       LYS  76  16.108  10.429 -16.344
  578    HB2  LYS  76           HB2      LYS  76  17.214  12.611 -16.288
  579    HB3  LYS  76           HB3      LYS  76  15.946  12.559 -17.510
  580    HG2  LYS  76           HG2      LYS  76  14.420  13.822 -15.967
  581    HG3  LYS  76           HG3      LYS  76  15.695  13.842 -14.745
  582    HD2  LYS  76           HD2      LYS  76  15.649  15.975 -15.841
  583    HD3  LYS  76           HD3      LYS  76  17.148  15.147 -16.288
  584    HE2  LYS  76           HE2      LYS  76  16.127  14.482 -18.462
  585    HE3  LYS  76           HE3      LYS  76  14.615  15.274 -17.999
  586    HZ1  LYS  76           HZ1      LYS  76  15.821  17.386 -17.957
  587    HZ2  LYS  76           HZ2      LYS  76  17.216  16.647 -18.382
  588    HZ3  LYS  76           HZ3      LYS  76  15.963  16.686 -19.420
  589    H    ASP  77           H        ASP  77  13.986  11.245 -13.802
  590    HA   ASP  77           HA       ASP  77  16.172  11.307 -11.780
  591    HB2  ASP  77           HB2      ASP  77  14.905  13.398 -11.966
  592    HB3  ASP  77           HB3      ASP  77  13.396  12.525 -11.681
  593    H    ILE  78           H        ILE  78  12.898   9.814 -12.545
  594    HA   ILE  78           HA       ILE  78  13.013   8.184 -10.157
  595    HB   ILE  78           HB       ILE  78  11.599   7.614 -12.805
  596   HG12  ILE  78          HG12      ILE  78   9.522   8.042 -11.459
  597   HG13  ILE  78          HG13      ILE  78  10.518   8.651 -10.133
  598   HG21  ILE  78          HG21      ILE  78  11.990   5.507 -11.653
  599   HG22  ILE  78          HG22      ILE  78  11.501   6.209 -10.086
  600   HG23  ILE  78          HG23      ILE  78  10.314   5.943 -11.362
  601   HD11  ILE  78          HD11      ILE  78  10.405   9.825 -12.940
  602   HD12  ILE  78          HD12      ILE  78   9.424  10.385 -11.565
  603   HD13  ILE  78          HD13      ILE  78  11.168  10.570 -11.498
  604    H    ALA  79           H        ALA  79  14.366   6.524  -9.731
  605    HA   ALA  79           HA       ALA  79  16.016   5.399 -11.931
  606    HB1  ALA  79           HB1      ALA  79  16.885   6.063  -9.081
  607    HB2  ALA  79           HB2      ALA  79  17.917   5.410 -10.372
  608    HB3  ALA  79           HB3      ALA  79  17.250   7.045 -10.520
  609    H    MET  80           H        MET  80  13.557   4.413 -10.846
  610    HA   MET  80           HA       MET  80  14.147   1.866  -9.475
  611    HB2  MET  80           HB2      MET  80  11.669   2.982 -10.884
  612    HB3  MET  80           HB3      MET  80  11.750   1.375 -10.172
  613    HG2  MET  80           HG2      MET  80  12.332   2.427  -7.958
  614    HG3  MET  80           HG3      MET  80  12.069   4.007  -8.699
  615    HE1  MET  80           HE1      MET  80  10.068   0.502  -8.875
  616    HE2  MET  80           HE2      MET  80  10.496   0.799  -7.174
  617    HE3  MET  80           HE3      MET  80   8.799   0.876  -7.692
  618    HA   PRO  81           HA       PRO  81  14.977  -0.465 -13.260
  619    HB2  PRO  81           HB2      PRO  81  12.600  -2.180 -12.535
  620    HB3  PRO  81           HB3      PRO  81  14.230  -2.689 -13.072
  621    HG2  PRO  81           HG2      PRO  81  13.562  -2.813 -10.449
  622    HG3  PRO  81           HG3      PRO  81  15.171  -2.182 -10.932
  623    HD2  PRO  81           HD2      PRO  81  12.697  -0.630 -10.158
  624    HD3  PRO  81           HD3      PRO  81  14.397  -0.360  -9.666
  625    H    LYS  82           H        LYS  82  14.168  -0.627 -15.435
  626    HA   LYS  82           HA       LYS  82  11.503   0.579 -15.949
  627    HB2  LYS  82           HB2      LYS  82  14.190   1.332 -17.174
  628    HB3  LYS  82           HB3      LYS  82  12.632   1.816 -17.849
  629    HG2  LYS  82           HG2      LYS  82  12.068   3.098 -15.860
  630    HG3  LYS  82           HG3      LYS  82  13.516   2.522 -15.020
  631    HD2  LYS  82           HD2      LYS  82  14.959   3.625 -16.671
  632    HD3  LYS  82           HD3      LYS  82  13.519   4.204 -17.539
  633    HE2  LYS  82           HE2      LYS  82  12.838   5.557 -15.641
  634    HE3  LYS  82           HE3      LYS  82  14.121   4.891 -14.623
  635    HZ1  LYS  82           HZ1      LYS  82  14.527   7.147 -15.707
  636    HZ2  LYS  82           HZ2      LYS  82  15.731   6.041 -15.827
  637    HZ3  LYS  82           HZ3      LYS  82  14.776   6.313 -17.125
  638    H    VAL  83           H        VAL  83  10.741   0.148 -18.083
  639    HA   VAL  83           HA       VAL  83  11.811  -2.262 -19.446
  640    HB   VAL  83           HB       VAL  83   8.952  -1.762 -18.504
  641   HG11  VAL  83          HG11      VAL  83   8.763  -2.782 -20.716
  642   HG12  VAL  83          HG12      VAL  83   9.997  -4.004 -20.297
  643   HG13  VAL  83          HG13      VAL  83   8.411  -3.995 -19.499
  644   HG21  VAL  83          HG21      VAL  83   9.210  -3.886 -17.286
  645   HG22  VAL  83          HG22      VAL  83  10.886  -4.028 -17.861
  646   HG23  VAL  83          HG23      VAL  83  10.417  -2.729 -16.755
  647    H    LYS  84           H        LYS  84  10.587  -2.257 -21.760
  648    HA   LYS  84           HA       LYS  84  10.605   0.558 -22.757
  649    HB2  LYS  84           HB2      LYS  84  12.145  -1.778 -23.963
  650    HB3  LYS  84           HB3      LYS  84  12.083  -0.119 -24.568
  651    HG2  LYS  84           HG2      LYS  84  13.240   0.671 -22.497
  652    HG3  LYS  84           HG3      LYS  84  13.301  -0.988 -21.905
  653    HD2  LYS  84           HD2      LYS  84  15.442  -0.448 -22.813
  654    HD3  LYS  84           HD3      LYS  84  14.676  -1.662 -23.847
  655    HE2  LYS  84           HE2      LYS  84  14.021   0.146 -25.448
  656    HE3  LYS  84           HE3      LYS  84  14.789   1.340 -24.396
  657    HZ1  LYS  84           HZ1      LYS  84  16.201  -0.879 -25.761
  658    HZ2  LYS  84           HZ2      LYS  84  16.243   0.687 -26.204
  659    HZ3  LYS  84           HZ3      LYS  84  16.910   0.231 -24.791
  660    H    GLY  85           H        GLY  85   9.898   0.597 -25.114
  661    HA2  GLY  85           HA2      GLY  85   7.325  -0.565 -25.481
  662    HA3  GLY  85           HA3      GLY  85   8.335   0.185 -26.732
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1  -2.123   0.592  -0.250
    2    H2   ALA   1           H2       ALA   1  -1.198   1.951  -0.111
    3    H3   ALA   1           H3       ALA   1  -2.420   1.920  -1.196
    4    HA   ALA   1           HA       ALA   1   0.025   0.313  -1.326
    5    HB1  ALA   1           HB1      ALA   1  -0.795  -0.531  -3.459
    6    HB2  ALA   1           HB2      ALA   1  -1.977  -0.897  -2.202
    7    HB3  ALA   1           HB3      ALA   1  -2.274   0.445  -3.329
    8    H    GLU   2           H        GLU   2   0.350   0.948  -4.107
    9    HA   GLU   2           HA       GLU   2   0.439   3.844  -4.374
   10    HB2  GLU   2           HB2      GLU   2   2.934   2.093  -4.631
   11    HB3  GLU   2           HB3      GLU   2   2.805   3.764  -5.184
   12    HG2  GLU   2           HG2      GLU   2   2.502   4.547  -2.877
   13    HG3  GLU   2           HG3      GLU   2   2.574   2.885  -2.278
   14    H    HIS   3           H        HIS   3   0.570   4.384  -6.636
   15    HA   HIS   3           HA       HIS   3   0.643   2.218  -8.632
   16    HB2  HIS   3           HB2      HIS   3  -1.656   4.167  -8.178
   17    HB3  HIS   3           HB3      HIS   3  -1.316   3.493  -9.767
   18    HD1  HIS   3           HD1      HIS   3  -2.753   2.368  -6.362
   19    HD2  HIS   3           HD2      HIS   3  -1.790   0.896 -10.207
   20    HE1  HIS   3           HE1      HIS   3  -3.859   0.103  -6.566
   21    H    TRP   4           H        TRP   4   1.224   3.057 -10.723
   22    HA   TRP   4           HA       TRP   4   2.526   5.734 -10.672
   23    HB2  TRP   4           HB2      TRP   4   3.649   3.018 -11.433
   24    HB3  TRP   4           HB3      TRP   4   4.296   4.509 -12.092
   25    HD1  TRP   4           HD1      TRP   4   4.244   2.515  -8.855
   26    HE1  TRP   4           HE1      TRP   4   5.947   3.497  -7.227
   27    HE3  TRP   4           HE3      TRP   4   5.413   6.777 -11.422
   28    HZ2  TRP   4           HZ2      TRP   4   7.660   5.852  -7.077
   29    HZ3  TRP   4           HZ3      TRP   4   7.078   8.371 -10.523
   30    HH2  TRP   4           HH2      TRP   4   8.219   7.913  -8.358
   31    H    ILE   5           H        ILE   5   2.218   6.904 -12.520
   32    HA   ILE   5           HA       ILE   5   1.195   5.529 -14.946
   33    HB   ILE   5           HB       ILE   5  -0.028   8.012 -13.668
   34   HG12  ILE   5          HG12      ILE   5  -2.159   6.381 -14.031
   35   HG13  ILE   5          HG13      ILE   5  -0.950   5.134 -13.792
   36   HG21  ILE   5          HG21      ILE   5  -1.587   8.000 -15.540
   37   HG22  ILE   5          HG22      ILE   5   0.061   8.163 -16.127
   38   HG23  ILE   5          HG23      ILE   5  -0.755   6.593 -16.256
   39   HD11  ILE   5          HD11      ILE   5  -2.100   5.727 -11.699
   40   HD12  ILE   5          HD12      ILE   5  -0.402   6.210 -11.559
   41   HD13  ILE   5          HD13      ILE   5  -1.646   7.429 -11.901
   42    H    ASP   6           H        ASP   6   2.121   6.260 -16.741
   43    HA   ASP   6           HA       ASP   6   4.127   8.467 -16.703
   44    HB2  ASP   6           HB2      ASP   6   4.949   6.568 -17.908
   45    HB3  ASP   6           HB3      ASP   6   3.375   6.238 -18.617
   46    H    VAL   7           H        VAL   7   3.220  10.391 -17.084
   47    HA   VAL   7           HA       VAL   7   0.585  10.481 -18.451
   48    HB   VAL   7           HB       VAL   7   0.099  12.523 -17.276
   49   HG11  VAL   7          HG11      VAL   7  -0.111  11.641 -15.031
   50   HG12  VAL   7          HG12      VAL   7  -0.473  10.398 -16.231
   51   HG13  VAL   7          HG13      VAL   7   1.082  10.372 -15.361
   52   HG21  VAL   7          HG21      VAL   7   2.366  13.510 -17.042
   53   HG22  VAL   7          HG22      VAL   7   1.638  13.287 -15.445
   54   HG23  VAL   7          HG23      VAL   7   2.874  12.161 -15.997
   55    H    ARG   8           H        ARG   8   3.262  10.439 -19.909
   56    HA   ARG   8           HA       ARG   8   2.762  12.980 -21.416
   57    HB2  ARG   8           HB2      ARG   8   5.150  12.265 -20.311
   58    HB3  ARG   8           HB3      ARG   8   5.300  11.487 -21.887
   59    HG2  ARG   8           HG2      ARG   8   4.609  13.762 -22.927
   60    HG3  ARG   8           HG3      ARG   8   4.685  14.422 -21.303
   61    HD2  ARG   8           HD2      ARG   8   7.090  13.538 -21.227
   62    HD3  ARG   8           HD3      ARG   8   6.942  13.242 -22.968
   63    HE   ARG   8           HE       ARG   8   6.397  15.923 -21.711
   64   HH11  ARG   8          HH21      ARG   8   8.225  14.127 -24.197
   65   HH12  ARG   8          HH22      ARG   8   8.846  15.561 -24.920
   66   HH21  ARG   8          HH11      ARG   8   7.167  17.712 -22.618
   67   HH22  ARG   8          HH12      ARG   8   8.272  17.694 -23.966
   68    H    VAL   9           H        VAL   9   3.883  12.446 -23.776
   69    HA   VAL   9           HA       VAL   9   1.918  10.863 -25.110
   70    HB   VAL   9           HB       VAL   9   3.586  11.237 -27.072
   71   HG11  VAL   9          HG11      VAL   9   2.338  13.620 -25.630
   72   HG12  VAL   9          HG12      VAL   9   2.823  13.567 -27.339
   73   HG13  VAL   9          HG13      VAL   9   1.518  12.522 -26.761
   74   HG21  VAL   9          HG21      VAL   9   4.774  13.357 -25.222
   75   HG22  VAL   9          HG22      VAL   9   5.571  11.796 -25.517
   76   HG23  VAL   9          HG23      VAL   9   5.263  12.921 -26.856
   77    HA   PRO  10           HA       PRO  10   3.523   6.789 -24.798
   78    HB2  PRO  10           HB2      PRO  10   3.239   6.577 -27.796
   79    HB3  PRO  10           HB3      PRO  10   2.682   5.441 -26.528
   80    HG2  PRO  10           HG2      PRO  10   0.942   7.145 -27.735
   81    HG3  PRO  10           HG3      PRO  10   0.846   6.846 -25.973
   82    HD2  PRO  10           HD2      PRO  10   2.039   9.208 -27.417
   83    HD3  PRO  10           HD3      PRO  10   1.068   9.151 -25.916
   84    H    GLU  11           H        GLU  11   5.121   8.940 -27.147
   85    HA   GLU  11           HA       GLU  11   7.080   7.136 -27.993
   86    HB2  GLU  11           HB2      GLU  11   8.359   9.066 -28.773
   87    HB3  GLU  11           HB3      GLU  11   6.659   9.120 -29.236
   88    HG2  GLU  11           HG2      GLU  11   6.176  10.758 -27.519
   89    HG3  GLU  11           HG3      GLU  11   7.822  10.666 -26.882
   90    H    GLN  12           H        GLN  12   7.043   8.898 -24.854
   91    HA   GLN  12           HA       GLN  12   9.837   8.169 -24.386
   92    HB2  GLN  12           HB2      GLN  12   9.494   8.594 -22.052
   93    HB3  GLN  12           HB3      GLN  12   9.032   9.958 -23.050
   94    HG2  GLN  12           HG2      GLN  12   6.716   9.682 -22.560
   95    HG3  GLN  12           HG3      GLN  12   6.951   8.070 -21.883
   96   HE21  GLN  12          HE22      GLN  12   7.759   7.811 -19.732
   97   HE22  GLN  12          HE21      GLN  12   7.888   9.164 -18.645
   98    H    TYR  13           H        TYR  13   6.670   6.712 -23.527
   99    HA   TYR  13           HA       TYR  13   7.583   4.526 -22.066
  100    HB2  TYR  13           HB2      TYR  13   5.196   5.513 -22.528
  101    HB3  TYR  13           HB3      TYR  13   5.163   4.434 -23.901
  102    HD1  TYR  13           HD1      TYR  13   5.092   4.716 -20.233
  103    HD2  TYR  13           HD2      TYR  13   4.973   1.976 -23.562
  104    HE1  TYR  13           HE1      TYR  13   4.260   2.944 -18.728
  105    HE2  TYR  13           HE2      TYR  13   4.102   0.202 -22.070
  106    HH   TYR  13           HH       TYR  13   3.639   0.704 -18.536
  107    H    GLN  14           H        GLN  14   7.179   4.909 -25.560
  108    HA   GLN  14           HA       GLN  14   7.676   2.270 -26.382
  109    HB2  GLN  14           HB2      GLN  14   7.975   4.976 -27.711
  110    HB3  GLN  14           HB3      GLN  14   8.405   3.509 -28.573
  111    HG2  GLN  14           HG2      GLN  14   5.667   4.019 -27.342
  112    HG3  GLN  14           HG3      GLN  14   6.076   4.290 -29.031
  113   HE21  GLN  14          HE22      GLN  14   4.004   2.484 -28.052
  114   HE22  GLN  14          HE21      GLN  14   4.454   0.876 -28.556
  115    H    GLN  15           H        GLN  15  10.017   4.350 -24.899
  116    HA   GLN  15           HA       GLN  15  12.093   2.432 -25.819
  117    HB2  GLN  15           HB2      GLN  15  13.762   4.261 -25.722
  118    HB3  GLN  15           HB3      GLN  15  12.607   4.372 -27.049
  119    HG2  GLN  15           HG2      GLN  15  11.408   6.169 -25.998
  120    HG3  GLN  15           HG3      GLN  15  12.287   5.968 -24.485
  121   HE21  GLN  15          HE22      GLN  15  14.461   6.696 -24.312
  122   HE22  GLN  15          HE21      GLN  15  15.174   7.782 -25.506
  123    H    GLU  16           H        GLU  16  10.988   4.604 -23.112
  124    HA   GLU  16           HA       GLU  16  11.683   2.432 -21.397
  125    HB2  GLU  16           HB2      GLU  16  13.162   3.434 -19.874
  126    HB3  GLU  16           HB3      GLU  16  13.916   3.470 -21.443
  127    HG2  GLU  16           HG2      GLU  16  12.577   5.841 -20.068
  128    HG3  GLU  16           HG3      GLU  16  14.292   5.489 -20.044
  129    H    HIS  17           H        HIS  17  10.495   2.433 -19.523
  130    HA   HIS  17           HA       HIS  17   9.224   4.917 -18.587
  131    HB2  HIS  17           HB2      HIS  17   7.073   3.818 -18.313
  132    HB3  HIS  17           HB3      HIS  17   7.539   3.796 -20.001
  133    HD1  HIS  17           HD1      HIS  17   7.222   1.388 -16.992
  134    HD2  HIS  17           HD2      HIS  17   7.676   1.424 -21.180
  135    HE1  HIS  17           HE1      HIS  17   6.812  -1.003 -17.788
  136    H    VAL  18           H        VAL  18   8.691   4.729 -16.325
  137    HA   VAL  18           HA       VAL  18  10.506   3.245 -14.670
  138    HB   VAL  18           HB       VAL  18   7.940   4.809 -14.231
  139   HG11  VAL  18          HG11      VAL  18   8.418   4.741 -11.783
  140   HG12  VAL  18          HG12      VAL  18   7.938   3.169 -12.424
  141   HG13  VAL  18          HG13      VAL  18   9.650   3.494 -12.079
  142   HG21  VAL  18          HG21      VAL  18  10.816   5.368 -13.366
  143   HG22  VAL  18          HG22      VAL  18  10.069   6.031 -14.831
  144   HG23  VAL  18          HG23      VAL  18   9.419   6.464 -13.251
  145    H    GLN  19           H        GLN  19  10.370   1.228 -13.863
  146    HA   GLN  19           HA       GLN  19   8.735  -0.699 -15.068
  147    HB2  GLN  19           HB2      GLN  19  10.901  -1.095 -13.985
  148    HB3  GLN  19           HB3      GLN  19  10.212  -0.790 -12.393
  149    HG2  GLN  19           HG2      GLN  19   9.170  -2.999 -14.225
  150    HG3  GLN  19           HG3      GLN  19  10.575  -3.231 -13.198
  151   HE21  GLN  19          HE22      GLN  19   7.060  -3.071 -13.210
  152   HE22  GLN  19          HE21      GLN  19   6.859  -3.405 -11.512
  153    H    GLY  20           H        GLY  20   6.602  -1.036 -14.889
  154    HA2  GLY  20           HA2      GLY  20   4.717  -1.746 -13.650
  155    HA3  GLY  20           HA3      GLY  20   5.258  -0.810 -12.253
  156    H    ALA  21           H        ALA  21   5.801   1.401 -14.536
  157    HA   ALA  21           HA       ALA  21   3.271   2.800 -14.129
  158    HB1  ALA  21           HB1      ALA  21   4.251   4.558 -15.547
  159    HB2  ALA  21           HB2      ALA  21   5.438   4.031 -14.332
  160    HB3  ALA  21           HB3      ALA  21   5.571   3.465 -16.016
  161    H    ILE  22           H        ILE  22   1.966   3.627 -15.846
  162    HA   ILE  22           HA       ILE  22   1.763   1.982 -18.302
  163    HB   ILE  22           HB       ILE  22  -0.715   2.034 -17.951
  164   HG12  ILE  22          HG12      ILE  22  -0.056   2.796 -15.069
  165   HG13  ILE  22          HG13      ILE  22  -0.882   3.818 -16.248
  166   HG21  ILE  22          HG21      ILE  22   0.779   0.469 -15.805
  167   HG22  ILE  22          HG22      ILE  22  -0.741   0.021 -16.607
  168   HG23  ILE  22          HG23      ILE  22   0.761   0.039 -17.528
  169   HD11  ILE  22          HD11      ILE  22  -2.531   2.883 -14.801
  170   HD12  ILE  22          HD12      ILE  22  -2.711   2.082 -16.376
  171   HD13  ILE  22          HD13      ILE  22  -1.919   1.239 -15.021
  172    H    ASN  23           H        ASN  23   1.209   3.197 -20.110
  173    HA   ASN  23           HA       ASN  23   1.618   6.074 -19.841
  174    HB2  ASN  23           HB2      ASN  23   2.633   4.883 -21.719
  175    HB3  ASN  23           HB3      ASN  23   1.039   4.349 -22.281
  176   HD21  ASN  23          HD22      ASN  23   3.072   7.271 -21.658
  177   HD22  ASN  23          HD21      ASN  23   2.101   8.365 -22.614
  178    H    ILE  24           H        ILE  24   0.029   7.421 -19.319
  179    HA   ILE  24           HA       ILE  24  -2.575   7.243 -20.700
  180    HB   ILE  24           HB       ILE  24  -2.463   7.690 -17.702
  181   HG12  ILE  24          HG12      ILE  24  -3.360   5.165 -19.152
  182   HG13  ILE  24          HG13      ILE  24  -1.939   5.314 -18.111
  183   HG21  ILE  24          HG21      ILE  24  -4.833   7.164 -19.536
  184   HG22  ILE  24          HG22      ILE  24  -4.853   7.715 -17.839
  185   HG23  ILE  24          HG23      ILE  24  -4.278   8.793 -19.109
  186   HD11  ILE  24          HD11      ILE  24  -4.832   5.516 -17.218
  187   HD12  ILE  24          HD12      ILE  24  -3.663   4.242 -16.865
  188   HD13  ILE  24          HD13      ILE  24  -3.423   5.862 -16.182
  189    HA   PRO  25           HA       PRO  25  -0.093  11.068 -21.054
  190    HB2  PRO  25           HB2      PRO  25  -2.207  11.680 -23.120
  191    HB3  PRO  25           HB3      PRO  25  -0.432  11.912 -23.221
  192    HG2  PRO  25           HG2      PRO  25  -1.597   9.786 -24.432
  193    HG3  PRO  25           HG3      PRO  25  -0.074   9.563 -23.517
  194    HD2  PRO  25           HD2      PRO  25  -2.897   8.967 -22.621
  195    HD3  PRO  25           HD3      PRO  25  -1.417   7.989 -22.423
  196    H    LEU  26           H        LEU  26  -0.297  13.274 -20.516
  197    HA   LEU  26           HA       LEU  26  -1.912  14.106 -18.546
  198    HB2  LEU  26           HB2      LEU  26   0.117  15.256 -19.310
  199    HB3  LEU  26           HB3      LEU  26  -0.687  15.753 -20.796
  200    HG   LEU  26           HG       LEU  26  -2.249  17.187 -19.447
  201   HD11  LEU  26          HD11      LEU  26  -0.370  16.515 -17.143
  202   HD12  LEU  26          HD12      LEU  26  -1.709  17.683 -17.110
  203   HD13  LEU  26          HD13      LEU  26  -2.054  15.957 -17.271
  204   HD21  LEU  26          HD21      LEU  26   0.716  17.737 -19.012
  205   HD22  LEU  26          HD22      LEU  26  -0.211  18.120 -20.481
  206   HD23  LEU  26          HD23      LEU  26  -0.598  18.931 -18.957
  207    H    LYS  27           H        LYS  27  -2.708  14.545 -22.019
  208    HA   LYS  27           HA       LYS  27  -5.055  16.150 -21.499
  209    HB2  LYS  27           HB2      LYS  27  -4.295  14.572 -23.999
  210    HB3  LYS  27           HB3      LYS  27  -5.496  15.855 -23.908
  211    HG2  LYS  27           HG2      LYS  27  -2.487  16.179 -23.541
  212    HG3  LYS  27           HG3      LYS  27  -3.455  16.663 -24.932
  213    HD2  LYS  27           HD2      LYS  27  -4.705  18.286 -23.457
  214    HD3  LYS  27           HD3      LYS  27  -3.652  17.822 -22.116
  215    HE2  LYS  27           HE2      LYS  27  -2.785  19.854 -22.996
  216    HE3  LYS  27           HE3      LYS  27  -1.660  18.563 -23.424
  217    HZ1  LYS  27           HZ1      LYS  27  -3.671  19.759 -25.250
  218    HZ2  LYS  27           HZ2      LYS  27  -2.074  20.065 -25.274
  219    HZ3  LYS  27           HZ3      LYS  27  -2.613  18.580 -25.664
  220    H    GLU  28           H        GLU  28  -4.570  12.840 -21.011
  221    HA   GLU  28           HA       GLU  28  -7.440  12.166 -21.473
  222    HB2  GLU  28           HB2      GLU  28  -4.881  10.600 -22.030
  223    HB3  GLU  28           HB3      GLU  28  -6.490   9.891 -22.063
  224    HG2  GLU  28           HG2      GLU  28  -7.182  11.506 -23.822
  225    HG3  GLU  28           HG3      GLU  28  -5.547  12.170 -23.842
  226    H    VAL  29           H        VAL  29  -4.758  12.134 -19.242
  227    HA   VAL  29           HA       VAL  29  -5.387  10.033 -17.588
  228    HB   VAL  29           HB       VAL  29  -3.353  11.697 -17.634
  229   HG11  VAL  29          HG11      VAL  29  -4.904  13.082 -15.426
  230   HG12  VAL  29          HG12      VAL  29  -3.264  13.420 -16.002
  231   HG13  VAL  29          HG13      VAL  29  -4.645  13.750 -17.055
  232   HG21  VAL  29          HG21      VAL  29  -4.406  10.537 -15.033
  233   HG22  VAL  29          HG22      VAL  29  -3.407   9.718 -16.248
  234   HG23  VAL  29          HG23      VAL  29  -2.739  11.076 -15.330
  235    H    LYS  30           H        LYS  30  -7.076  13.082 -17.791
  236    HA   LYS  30           HA       LYS  30  -8.051  13.388 -15.224
  237    HB2  LYS  30           HB2      LYS  30  -8.144  15.056 -17.040
  238    HB3  LYS  30           HB3      LYS  30  -9.389  14.142 -17.871
  239    HG2  LYS  30           HG2      LYS  30  -9.877  15.046 -15.016
  240    HG3  LYS  30           HG3      LYS  30  -9.939  16.234 -16.321
  241    HD2  LYS  30           HD2      LYS  30 -11.653  14.928 -17.507
  242    HD3  LYS  30           HD3      LYS  30 -11.626  13.703 -16.225
  243    HE2  LYS  30           HE2      LYS  30 -12.339  15.376 -14.572
  244    HE3  LYS  30           HE3      LYS  30 -12.375  16.628 -15.823
  245    HZ1  LYS  30           HZ1      LYS  30 -13.994  14.146 -15.968
  246    HZ2  LYS  30           HZ2      LYS  30 -14.562  15.556 -15.327
  247    HZ3  LYS  30           HZ3      LYS  30 -14.148  15.481 -16.903
  248    H    GLU  31           H        GLU  31  -9.651  11.544 -17.876
  249    HA   GLU  31           HA       GLU  31 -11.695  10.622 -15.940
  250    HB2  GLU  31           HB2      GLU  31 -11.243  10.163 -18.917
  251    HB3  GLU  31           HB3      GLU  31 -12.494   9.322 -18.007
  252    HG2  GLU  31           HG2      GLU  31 -12.291  12.354 -18.258
  253    HG3  GLU  31           HG3      GLU  31 -13.309  11.327 -19.256
  254    H    ARG  32           H        ARG  32  -8.906   9.355 -17.791
  255    HA   ARG  32           HA       ARG  32  -9.540   6.608 -17.293
  256    HB2  ARG  32           HB2      ARG  32  -7.079   8.046 -18.316
  257    HB3  ARG  32           HB3      ARG  32  -7.168   6.275 -18.223
  258    HG2  ARG  32           HG2      ARG  32  -8.970   6.155 -19.781
  259    HG3  ARG  32           HG3      ARG  32  -9.319   7.878 -19.648
  260    HD2  ARG  32           HD2      ARG  32  -7.010   8.330 -20.637
  261    HD3  ARG  32           HD3      ARG  32  -6.900   6.601 -20.967
  262    HE   ARG  32           HE       ARG  32  -8.304   6.841 -22.742
  263   HH11  ARG  32          HH21      ARG  32  -8.660   9.798 -20.764
  264   HH12  ARG  32          HH22      ARG  32  -9.812  10.517 -21.841
  265   HH21  ARG  32          HH12      ARG  32  -9.753   7.862 -24.188
  266   HH22  ARG  32          HH11      ARG  32 -10.394   9.422 -23.846
  267    H    ILE  33           H        ILE  33  -7.919   8.899 -15.206
  268    HA   ILE  33           HA       ILE  33  -6.461   7.042 -13.680
  269    HB   ILE  33           HB       ILE  33  -6.365   9.503 -13.405
  270   HG12  ILE  33          HG12      ILE  33  -6.248   9.522 -10.889
  271   HG13  ILE  33          HG13      ILE  33  -6.965   7.924 -10.875
  272   HG21  ILE  33          HG21      ILE  33  -9.011   9.259 -11.903
  273   HG22  ILE  33          HG22      ILE  33  -8.047  10.720 -12.113
  274   HG23  ILE  33          HG23      ILE  33  -8.812   9.980 -13.514
  275   HD11  ILE  33          HD11      ILE  33  -4.332   8.605 -12.239
  276   HD12  ILE  33          HD12      ILE  33  -4.509   7.879 -10.626
  277   HD13  ILE  33          HD13      ILE  33  -5.033   6.981 -12.049
  278    H    ALA  34           H        ALA  34 -10.004   7.561 -13.863
  279    HA   ALA  34           HA       ALA  34 -10.662   6.229 -11.437
  280    HB1  ALA  34           HB1      ALA  34 -12.246   7.648 -12.703
  281    HB2  ALA  34           HB2      ALA  34 -12.273   6.450 -14.020
  282    HB3  ALA  34           HB3      ALA  34 -12.907   6.026 -12.418
  283    H    THR  35           H        THR  35 -10.164   4.966 -14.784
  284    HA   THR  35           HA       THR  35 -10.751   2.239 -14.031
  285    HB   THR  35           HB       THR  35  -9.440   1.971 -16.364
  286    HG1  THR  35           HG1      THR  35  -8.823   4.212 -16.455
  287   HG21  THR  35          HG21      THR  35 -11.832   1.502 -16.011
  288   HG22  THR  35          HG22      THR  35 -12.203   3.240 -16.080
  289   HG23  THR  35          HG23      THR  35 -11.586   2.395 -17.520
  290    H    ALA  36           H        ALA  36  -7.762   4.224 -14.224
  291    HA   ALA  36           HA       ALA  36  -5.969   2.009 -13.941
  292    HB1  ALA  36           HB1      ALA  36  -5.301   4.197 -14.859
  293    HB2  ALA  36           HB2      ALA  36  -5.587   4.961 -13.279
  294    HB3  ALA  36           HB3      ALA  36  -4.298   3.760 -13.460
  295    H    VAL  37           H        VAL  37  -7.437   4.254 -11.561
  296    HA   VAL  37           HA       VAL  37  -6.597   2.544  -9.297
  297    HB   VAL  37           HB       VAL  37  -6.175   5.499  -9.347
  298   HG11  VAL  37          HG11      VAL  37  -6.543   4.475  -7.114
  299   HG12  VAL  37          HG12      VAL  37  -5.222   3.331  -7.426
  300   HG13  VAL  37          HG13      VAL  37  -4.892   5.068  -7.278
  301   HG21  VAL  37          HG21      VAL  37  -4.529   4.661 -10.900
  302   HG22  VAL  37          HG22      VAL  37  -3.728   5.045  -9.384
  303   HG23  VAL  37          HG23      VAL  37  -4.088   3.349  -9.783
  304    HA   PRO  38           HA       PRO  38 -11.083   3.682  -9.355
  305    HB2  PRO  38           HB2      PRO  38 -11.117   1.212  -7.618
  306    HB3  PRO  38           HB3      PRO  38 -12.283   1.722  -8.879
  307    HG2  PRO  38           HG2      PRO  38 -10.437  -0.189  -9.415
  308    HG3  PRO  38           HG3      PRO  38 -10.782   1.090 -10.625
  309    HD2  PRO  38           HD2      PRO  38  -8.476   0.927  -8.672
  310    HD3  PRO  38           HD3      PRO  38  -8.472   1.382 -10.402
  311    H    ASP  39           H        ASP  39  -9.079   2.727  -6.520
  312    HA   ASP  39           HA       ASP  39 -10.849   4.141  -4.643
  313    HB2  ASP  39           HB2      ASP  39  -9.866   2.074  -3.889
  314    HB3  ASP  39           HB3      ASP  39  -8.235   2.655  -4.248
  315    H    LYS  40           H        LYS  40 -10.762   6.334  -5.032
  316    HA   LYS  40           HA       LYS  40  -8.412   7.702  -5.769
  317    HB2  LYS  40           HB2      LYS  40  -9.591   9.680  -5.679
  318    HB3  LYS  40           HB3      LYS  40 -10.753   8.453  -6.177
  319    HG2  LYS  40           HG2      LYS  40 -11.528   8.322  -3.761
  320    HG3  LYS  40           HG3      LYS  40 -10.402   9.645  -3.392
  321    HD2  LYS  40           HD2      LYS  40 -11.614  11.023  -5.185
  322    HD3  LYS  40           HD3      LYS  40 -12.850   9.732  -5.200
  323    HE2  LYS  40           HE2      LYS  40 -13.002   9.952  -2.706
  324    HE3  LYS  40           HE3      LYS  40 -11.843  11.284  -2.784
  325    HZ1  LYS  40           HZ1      LYS  40 -14.132  12.099  -2.677
  326    HZ2  LYS  40           HZ2      LYS  40 -13.478  12.531  -4.105
  327    HZ3  LYS  40           HZ3      LYS  40 -14.544  11.293  -4.030
  328    H    ASN  41           H        ASN  41  -9.100   6.456  -2.656
  329    HA   ASN  41           HA       ASN  41  -7.557   8.549  -1.295
  330    HB2  ASN  41           HB2      ASN  41  -9.511   7.460  -0.204
  331    HB3  ASN  41           HB3      ASN  41  -8.641   5.920  -0.236
  332   HD21  ASN  41          HD22      ASN  41  -7.728   9.349   0.707
  333   HD22  ASN  41          HD21      ASN  41  -7.248   8.892   2.319
  334    H    ASP  42           H        ASP  42  -6.797   5.781  -3.173
  335    HA   ASP  42           HA       ASP  42  -4.543   4.827  -1.635
  336    HB2  ASP  42           HB2      ASP  42  -5.785   3.470  -3.340
  337    HB3  ASP  42           HB3      ASP  42  -5.117   4.513  -4.607
  338    H    THR  43           H        THR  43  -2.248   5.028  -2.303
  339    HA   THR  43           HA       THR  43  -1.529   7.760  -2.912
  340    HB   THR  43           HB       THR  43   0.417   5.468  -3.031
  341    HG1  THR  43           HG1      THR  43  -0.244   4.828  -1.232
  342   HG21  THR  43          HG21      THR  43   0.600   8.255  -1.824
  343   HG22  THR  43          HG22      THR  43   1.909   7.052  -1.896
  344   HG23  THR  43          HG23      THR  43   1.266   7.746  -3.390
  345    H    VAL  44           H        VAL  44  -0.728   8.603  -4.872
  346    HA   VAL  44           HA       VAL  44  -0.391   6.743  -7.165
  347    HB   VAL  44           HB       VAL  44  -2.056   9.308  -7.226
  348   HG11  VAL  44          HG11      VAL  44  -0.838   8.993  -9.338
  349   HG12  VAL  44          HG12      VAL  44  -1.374   7.297  -9.414
  350   HG13  VAL  44          HG13      VAL  44  -2.540   8.627  -9.580
  351   HG21  VAL  44          HG21      VAL  44  -3.405   7.543  -6.229
  352   HG22  VAL  44          HG22      VAL  44  -3.944   7.789  -7.889
  353   HG23  VAL  44          HG23      VAL  44  -2.911   6.396  -7.490
  354    H    LYS  45           H        LYS  45   1.299   7.311  -8.473
  355    HA   LYS  45           HA       LYS  45   2.607   9.935  -7.956
  356    HB2  LYS  45           HB2      LYS  45   3.877   7.176  -8.070
  357    HB3  LYS  45           HB3      LYS  45   4.789   8.676  -8.327
  358    HG2  LYS  45           HG2      LYS  45   4.147   9.528  -6.134
  359    HG3  LYS  45           HG3      LYS  45   3.127   8.111  -5.831
  360    HD2  LYS  45           HD2      LYS  45   5.077   6.641  -5.858
  361    HD3  LYS  45           HD3      LYS  45   6.144   8.027  -6.207
  362    HE2  LYS  45           HE2      LYS  45   5.613   9.077  -4.095
  363    HE3  LYS  45           HE3      LYS  45   4.317   7.915  -3.773
  364    HZ1  LYS  45           HZ1      LYS  45   6.349   7.419  -2.540
  365    HZ2  LYS  45           HZ2      LYS  45   5.909   6.186  -3.518
  366    HZ3  LYS  45           HZ3      LYS  45   7.175   7.168  -3.926
  367    H    VAL  46           H        VAL  46   3.141  10.998  -9.691
  368    HA   VAL  46           HA       VAL  46   2.921   9.710 -12.380
  369    HB   VAL  46           HB       VAL  46   2.059  11.903 -13.184
  370   HG11  VAL  46          HG11      VAL  46   0.290  10.539 -11.104
  371   HG12  VAL  46          HG12      VAL  46  -0.256  11.520 -12.477
  372   HG13  VAL  46          HG13      VAL  46   0.567   9.980 -12.765
  373   HG21  VAL  46          HG21      VAL  46   1.531  12.558 -10.244
  374   HG22  VAL  46          HG22      VAL  46   2.721  13.375 -11.279
  375   HG23  VAL  46          HG23      VAL  46   1.001  13.485 -11.655
  376    H    TYR  47           H        TYR  47   4.458  10.493 -13.922
  377    HA   TYR  47           HA       TYR  47   6.529  12.344 -13.121
  378    HB2  TYR  47           HB2      TYR  47   8.367  10.823 -13.367
  379    HB3  TYR  47           HB3      TYR  47   7.282  10.072 -12.218
  380    HD1  TYR  47           HD2      TYR  47   5.511   8.346 -13.261
  381    HD2  TYR  47           HD1      TYR  47   9.123   9.631 -15.227
  382    HE1  TYR  47           HE2      TYR  47   5.344   6.438 -14.795
  383    HE2  TYR  47           HE1      TYR  47   8.994   7.662 -16.745
  384    HH   TYR  47           HH       TYR  47   6.299   5.344 -16.640
  385    H    CYS  48           H        CYS  48   7.984  12.695 -15.115
  386    HA   CYS  48           HA       CYS  48   6.810  11.925 -17.702
  387    HB2  CYS  48           HB2      CYS  48   5.296  13.678 -16.794
  388    HB3  CYS  48           HB3      CYS  48   6.674  14.761 -16.544
  389    HG   CYS  48           HG       CYS  48   4.972  15.226 -18.662
  390    H    ASN  49           H        ASN  49   8.180  12.592 -19.474
  391    HA   ASN  49           HA       ASN  49  10.942  12.983 -19.129
  392    HB2  ASN  49           HB2      ASN  49   9.803  12.318 -21.267
  393    HB3  ASN  49           HB3      ASN  49   9.240  13.980 -21.437
  394   HD21  ASN  49          HD22      ASN  49  10.523  15.158 -22.862
  395   HD22  ASN  49          HD21      ASN  49  12.242  14.944 -23.043
  396    H    ALA  50           H        ALA  50   8.374  15.365 -18.801
  397    HA   ALA  50           HA       ALA  50  10.410  17.368 -18.009
  398    HB1  ALA  50           HB1      ALA  50   7.907  17.942 -19.658
  399    HB2  ALA  50           HB2      ALA  50   8.977  19.161 -18.937
  400    HB3  ALA  50           HB3      ALA  50   9.587  18.095 -20.218
  401    H    GLY  51           H        GLY  51  10.130  17.234 -15.855
  402    HA2  GLY  51           HA2      GLY  51   8.022  15.987 -14.545
  403    HA3  GLY  51           HA3      GLY  51   9.214  17.046 -13.780
  404    H    ARG  52           H        ARG  52   8.230  19.406 -15.447
  405    HA   ARG  52           HA       ARG  52   6.223  20.460 -13.744
  406    HB2  ARG  52           HB2      ARG  52   5.969  22.226 -15.284
  407    HB3  ARG  52           HB3      ARG  52   7.672  21.840 -15.038
  408    HG2  ARG  52           HG2      ARG  52   7.682  20.618 -17.242
  409    HG3  ARG  52           HG3      ARG  52   5.987  21.120 -17.488
  410    HD2  ARG  52           HD2      ARG  52   6.634  23.467 -17.230
  411    HD3  ARG  52           HD3      ARG  52   8.314  23.005 -16.975
  412    HE   ARG  52           HE       ARG  52   6.792  23.033 -19.503
  413   HH11  ARG  52          HH11      ARG  52   9.840  22.079 -17.942
  414   HH12  ARG  52          HH12      ARG  52  10.686  21.842 -19.424
  415   HH21  ARG  52          HH21      ARG  52   7.923  22.721 -21.473
  416   HH22  ARG  52          HH22      ARG  52   9.571  22.223 -21.474
  417    H    GLN  53           H        GLN  53   5.936  18.496 -16.717
  418    HA   GLN  53           HA       GLN  53   3.118  19.010 -17.079
  419    HB2  GLN  53           HB2      GLN  53   4.945  16.843 -18.168
  420    HB3  GLN  53           HB3      GLN  53   3.285  17.120 -18.697
  421    HG2  GLN  53           HG2      GLN  53   4.036  19.513 -19.298
  422    HG3  GLN  53           HG3      GLN  53   5.695  18.966 -19.013
  423   HE21  GLN  53          HE22      GLN  53   2.768  18.391 -21.031
  424   HE22  GLN  53          HE21      GLN  53   3.633  17.681 -22.370
  425    H    SER  54           H        SER  54   5.023  16.396 -15.383
  426    HA   SER  54           HA       SER  54   2.577  15.025 -14.661
  427    HB2  SER  54           HB2      SER  54   4.190  13.991 -12.900
  428    HB3  SER  54           HB3      SER  54   4.335  13.597 -14.612
  429    HG   SER  54           HG       SER  54   6.015  15.038 -12.974
  430    H    GLY  55           H        GLY  55   4.378  17.779 -13.357
  431    HA2  GLY  55           HA2      GLY  55   2.985  18.147 -10.921
  432    HA3  GLY  55           HA3      GLY  55   3.631  19.423 -11.975
  433    H    GLN  56           H        GLN  56   2.121  19.223 -14.273
  434    HA   GLN  56           HA       GLN  56  -0.396  20.366 -13.613
  435    HB2  GLN  56           HB2      GLN  56   0.347  18.939 -16.198
  436    HB3  GLN  56           HB3      GLN  56  -0.993  20.050 -15.962
  437    HG2  GLN  56           HG2      GLN  56   0.650  21.872 -15.431
  438    HG3  GLN  56           HG3      GLN  56   1.964  20.743 -15.777
  439   HE21  GLN  56          HE22      GLN  56  -0.845  22.414 -17.289
  440   HE22  GLN  56          HE21      GLN  56  -0.230  22.302 -18.917
  441    H    ALA  57           H        ALA  57   0.399  17.011 -14.730
  442    HA   ALA  57           HA       ALA  57  -2.241  16.028 -14.649
  443    HB1  ALA  57           HB1      ALA  57   0.306  14.490 -13.992
  444    HB2  ALA  57           HB2      ALA  57  -1.246  13.794 -14.484
  445    HB3  ALA  57           HB3      ALA  57  -0.320  14.773 -15.637
  446    H    LYS  58           H        LYS  58   0.134  16.399 -12.048
  447    HA   LYS  58           HA       LYS  58  -1.326  14.880 -10.092
  448    HB2  LYS  58           HB2      LYS  58   1.017  15.332  -9.787
  449    HB3  LYS  58           HB3      LYS  58   0.775  17.074  -9.763
  450    HG2  LYS  58           HG2      LYS  58  -0.690  15.391  -7.742
  451    HG3  LYS  58           HG3      LYS  58   1.042  15.622  -7.522
  452    HD2  LYS  58           HD2      LYS  58   0.860  17.934  -7.187
  453    HD3  LYS  58           HD3      LYS  58  -0.709  18.041  -7.993
  454    HE2  LYS  58           HE2      LYS  58  -1.709  16.645  -6.170
  455    HE3  LYS  58           HE3      LYS  58  -0.179  16.742  -5.286
  456    HZ1  LYS  58           HZ1      LYS  58  -0.458  19.097  -5.099
  457    HZ2  LYS  58           HZ2      LYS  58  -1.702  19.139  -6.164
  458    HZ3  LYS  58           HZ3      LYS  58  -1.903  18.445  -4.689
  459    H    GLU  59           H        GLU  59  -1.490  18.336 -11.059
  460    HA   GLU  59           HA       GLU  59  -3.447  18.964  -9.027
  461    HB2  GLU  59           HB2      GLU  59  -2.631  20.371 -11.597
  462    HB3  GLU  59           HB3      GLU  59  -3.831  21.011 -10.475
  463    HG2  GLU  59           HG2      GLU  59  -0.943  20.373  -9.721
  464    HG3  GLU  59           HG3      GLU  59  -1.543  21.964 -10.160
  465    H    ILE  60           H        ILE  60  -3.718  17.776 -12.423
  466    HA   ILE  60           HA       ILE  60  -6.567  17.995 -12.582
  467    HB   ILE  60           HB       ILE  60  -4.710  15.923 -13.832
  468   HG12  ILE  60          HG12      ILE  60  -5.930  18.454 -15.027
  469   HG13  ILE  60          HG13      ILE  60  -4.256  18.280 -14.523
  470   HG21  ILE  60          HG21      ILE  60  -7.586  16.568 -14.595
  471   HG22  ILE  60          HG22      ILE  60  -6.506  15.395 -15.388
  472   HG23  ILE  60          HG23      ILE  60  -7.060  15.093 -13.757
  473   HD11  ILE  60          HD11      ILE  60  -4.226  17.978 -16.864
  474   HD12  ILE  60          HD12      ILE  60  -4.062  16.340 -16.190
  475   HD13  ILE  60          HD13      ILE  60  -5.618  16.888 -16.846
  476    H    LEU  61           H        LEU  61  -4.456  15.338 -11.323
  477    HA   LEU  61           HA       LEU  61  -6.671  13.676 -10.600
  478    HB2  LEU  61           HB2      LEU  61  -3.858  13.739  -9.456
  479    HB3  LEU  61           HB3      LEU  61  -5.052  12.458  -9.214
  480    HG   LEU  61           HG       LEU  61  -3.440  13.096 -11.682
  481   HD11  LEU  61          HD11      LEU  61  -4.087  10.519 -10.217
  482   HD12  LEU  61          HD12      LEU  61  -3.022  10.682 -11.635
  483   HD13  LEU  61          HD13      LEU  61  -2.578  11.448 -10.112
  484   HD21  LEU  61          HD21      LEU  61  -5.625  13.013 -12.666
  485   HD22  LEU  61          HD22      LEU  61  -4.856  11.454 -12.953
  486   HD23  LEU  61          HD23      LEU  61  -6.075  11.617 -11.669
  487    H    SER  62           H        SER  62  -4.976  16.259  -8.849
  488    HA   SER  62           HA       SER  62  -6.259  15.827  -6.320
  489    HB2  SER  62           HB2      SER  62  -5.198  18.423  -7.510
  490    HB3  SER  62           HB3      SER  62  -5.519  18.088  -5.801
  491    HG   SER  62           HG       SER  62  -3.605  16.793  -7.481
  492    H    GLU  63           H        GLU  63  -7.180  17.767  -9.236
  493    HA   GLU  63           HA       GLU  63  -9.557  18.862  -8.097
  494    HB2  GLU  63           HB2      GLU  63  -8.331  19.654 -10.168
  495    HB3  GLU  63           HB3      GLU  63  -8.955  18.246 -11.022
  496    HG2  GLU  63           HG2      GLU  63 -10.331  20.105 -11.586
  497    HG3  GLU  63           HG3      GLU  63 -11.291  19.043 -10.570
  498    H    MET  64           H        MET  64  -8.870  15.803  -9.823
  499    HA   MET  64           HA       MET  64 -11.578  14.807  -9.748
  500    HB2  MET  64           HB2      MET  64  -8.882  13.431 -10.075
  501    HB3  MET  64           HB3      MET  64 -10.412  12.575 -10.146
  502    HG2  MET  64           HG2      MET  64  -9.589  14.851 -11.981
  503    HG3  MET  64           HG3      MET  64  -9.546  13.141 -12.381
  504    HE1  MET  64           HE1      MET  64 -12.381  12.004 -11.211
  505    HE2  MET  64           HE2      MET  64 -13.297  12.154 -12.723
  506    HE3  MET  64           HE3      MET  64 -11.603  11.618 -12.763
  507    H    GLY  65           H        GLY  65  -9.527  15.474  -7.152
  508    HA2  GLY  65           HA2      GLY  65 -10.116  15.282  -4.963
  509    HA3  GLY  65           HA3      GLY  65 -11.383  14.122  -5.378
  510    H    TYR  66           H        TYR  66  -8.167  13.364  -6.583
  511    HA   TYR  66           HA       TYR  66  -7.974  11.055  -4.808
  512    HB2  TYR  66           HB2      TYR  66  -6.163  12.217  -6.949
  513    HB3  TYR  66           HB3      TYR  66  -5.683  10.879  -5.909
  514    HD1  TYR  66           HD2      TYR  66  -8.556  11.834  -8.188
  515    HD2  TYR  66           HD1      TYR  66  -6.020   8.704  -6.642
  516    HE1  TYR  66           HE2      TYR  66  -9.806  10.168  -9.523
  517    HE2  TYR  66           HE1      TYR  66  -7.240   7.044  -7.998
  518    HH   TYR  66           HH       TYR  66  -9.048   6.653  -9.372
  519    H    THR  67           H        THR  67  -6.947  11.033  -2.825
  520    HA   THR  67           HA       THR  67  -6.228  13.673  -1.813
  521    HB   THR  67           HB       THR  67  -6.337  12.447   0.390
  522    HG1  THR  67           HG1      THR  67  -5.839  10.377  -0.273
  523   HG21  THR  67          HG21      THR  67  -8.352  13.540  -0.605
  524   HG22  THR  67          HG22      THR  67  -8.764  12.009  -1.410
  525   HG23  THR  67          HG23      THR  67  -8.746  12.109   0.362
  526    H    HIS  68           H        HIS  68  -4.403  10.903  -2.840
  527    HA   HIS  68           HA       HIS  68  -1.972  11.855  -1.382
  528    HB2  HIS  68           HB2      HIS  68  -2.996   9.009  -1.716
  529    HB3  HIS  68           HB3      HIS  68  -1.429   9.452  -1.033
  530    HD1  HIS  68           HD1      HIS  68  -4.497   8.288   0.285
  531    HD2  HIS  68           HD2      HIS  68  -1.963  11.559   1.105
  532    HE1  HIS  68           HE1      HIS  68  -4.962   8.982   2.692
  533    H    VAL  69           H        VAL  69  -2.569  12.701  -3.942
  534    HA   VAL  69           HA       VAL  69  -0.912  11.116  -5.786
  535    HB   VAL  69           HB       VAL  69  -1.904  13.947  -6.243
  536   HG11  VAL  69          HG11      VAL  69  -0.286  13.017  -7.895
  537   HG12  VAL  69          HG12      VAL  69  -1.319  11.596  -8.115
  538   HG13  VAL  69          HG13      VAL  69  -1.872  13.208  -8.619
  539   HG21  VAL  69          HG21      VAL  69  -3.921  13.113  -7.285
  540   HG22  VAL  69          HG22      VAL  69  -3.511  11.433  -6.843
  541   HG23  VAL  69          HG23      VAL  69  -3.917  12.654  -5.606
  542    H    GLU  70           H        GLU  70   1.153  11.752  -6.451
  543    HA   GLU  70           HA       GLU  70   2.244  14.276  -5.417
  544    HB2  GLU  70           HB2      GLU  70   2.896  12.581  -3.755
  545    HB3  GLU  70           HB3      GLU  70   3.497  11.521  -5.029
  546    HG2  GLU  70           HG2      GLU  70   5.319  12.611  -3.898
  547    HG3  GLU  70           HG3      GLU  70   5.255  13.122  -5.581
  548    H    ASN  71           H        ASN  71   3.782  15.134  -6.802
  549    HA   ASN  71           HA       ASN  71   4.033  13.892  -9.513
  550    HB2  ASN  71           HB2      ASN  71   3.469  16.255  -9.640
  551    HB3  ASN  71           HB3      ASN  71   4.749  16.666  -8.485
  552   HD21  ASN  71          HD22      ASN  71   5.827  18.056 -10.080
  553   HD22  ASN  71          HD21      ASN  71   6.532  17.379 -11.536
  554    H    ALA  72           H        ALA  72   5.608  12.427  -9.466
  555    HA   ALA  72           HA       ALA  72   7.604  12.327  -7.400
  556    HB1  ALA  72           HB1      ALA  72   7.413  10.859 -10.051
  557    HB2  ALA  72           HB2      ALA  72   8.379  10.385  -8.627
  558    HB3  ALA  72           HB3      ALA  72   6.609  10.356  -8.544
  559    H    GLY  73           H        GLY  73   7.506  13.792 -10.646
  560    HA2  GLY  73           HA2      GLY  73   9.041  15.710 -10.830
  561    HA3  GLY  73           HA3      GLY  73  10.350  14.663 -10.284
  562    H    GLY  74           H        GLY  74  11.378  15.428 -12.262
  563    HA2  GLY  74           HA2      GLY  74  10.468  14.616 -14.870
  564    HA3  GLY  74           HA3      GLY  74  12.094  15.157 -14.436
  565    H    LEU  75           H        LEU  75  11.251  12.922 -16.112
  566    HA   LEU  75           HA       LEU  75  11.091  10.451 -15.152
  567    HB2  LEU  75           HB2      LEU  75  11.393  11.535 -17.601
  568    HB3  LEU  75           HB3      LEU  75  12.972  10.786 -17.487
  569    HG   LEU  75           HG       LEU  75  10.247   9.445 -17.322
  570   HD11  LEU  75          HD11      LEU  75  12.405   9.330 -19.462
  571   HD12  LEU  75          HD12      LEU  75  10.867   8.443 -19.482
  572   HD13  LEU  75          HD13      LEU  75  10.863  10.209 -19.566
  573   HD21  LEU  75          HD21      LEU  75  11.721   8.105 -15.939
  574   HD22  LEU  75          HD22      LEU  75  11.498   7.270 -17.475
  575   HD23  LEU  75          HD23      LEU  75  13.006   8.162 -17.177
  576    H    LYS  76           H        LYS  76  14.267  12.066 -15.578
  577    HA   LYS  76           HA       LYS  76  15.859   9.822 -14.915
  578    HB2  LYS  76           HB2      LYS  76  16.617  11.839 -16.141
  579    HB3  LYS  76           HB3      LYS  76  16.364  12.826 -14.702
  580    HG2  LYS  76           HG2      LYS  76  18.704  12.393 -15.035
  581    HG3  LYS  76           HG3      LYS  76  18.164  11.646 -13.533
  582    HD2  LYS  76           HD2      LYS  76  18.120   9.423 -14.638
  583    HD3  LYS  76           HD3      LYS  76  18.571  10.179 -16.184
  584    HE2  LYS  76           HE2      LYS  76  20.691  10.982 -15.153
  585    HE3  LYS  76           HE3      LYS  76  20.238  10.217 -13.625
  586    HZ1  LYS  76           HZ1      LYS  76  21.742   8.831 -14.902
  587    HZ2  LYS  76           HZ2      LYS  76  20.310   8.070 -14.757
  588    HZ3  LYS  76           HZ3      LYS  76  20.725   8.780 -16.172
  589    H    ASP  77           H        ASP  77  14.162  12.174 -12.838
  590    HA   ASP  77           HA       ASP  77  15.898  11.777 -10.563
  591    HB2  ASP  77           HB2      ASP  77  14.591  13.858 -10.957
  592    HB3  ASP  77           HB3      ASP  77  13.099  12.959 -10.661
  593    H    ILE  78           H        ILE  78  12.870  10.230 -11.708
  594    HA   ILE  78           HA       ILE  78  12.486   8.706  -9.277
  595    HB   ILE  78           HB       ILE  78  11.428   8.245 -12.108
  596   HG12  ILE  78          HG12      ILE  78   9.250   8.975 -11.065
  597   HG13  ILE  78          HG13      ILE  78  10.146   9.498  -9.638
  598   HG21  ILE  78          HG21      ILE  78  11.388   6.151 -10.839
  599   HG22  ILE  78          HG22      ILE  78  10.678   6.966  -9.427
  600   HG23  ILE  78          HG23      ILE  78   9.751   6.779 -10.924
  601   HD11  ILE  78          HD11      ILE  78   9.441  11.285 -11.293
  602   HD12  ILE  78          HD12      ILE  78  11.144  11.317 -10.876
  603   HD13  ILE  78          HD13      ILE  78  10.618  10.607 -12.431
  604    H    ALA  79           H        ALA  79  14.520   7.863  -8.761
  605    HA   ALA  79           HA       ALA  79  16.141   6.470 -10.656
  606    HB1  ALA  79           HB1      ALA  79  17.634   6.117  -8.722
  607    HB2  ALA  79           HB2      ALA  79  17.021   7.778  -8.720
  608    HB3  ALA  79           HB3      ALA  79  16.328   6.573  -7.607
  609    H    MET  80           H        MET  80  13.541   5.295 -10.445
  610    HA   MET  80           HA       MET  80  13.867   2.623  -9.214
  611    HB2  MET  80           HB2      MET  80  11.668   3.889 -10.905
  612    HB3  MET  80           HB3      MET  80  11.649   2.207 -10.386
  613    HG2  MET  80           HG2      MET  80  11.671   2.869  -8.030
  614    HG3  MET  80           HG3      MET  80  11.782   4.570  -8.484
  615    HE1  MET  80           HE1      MET  80   7.980   1.961  -9.131
  616    HE2  MET  80           HE2      MET  80   9.400   1.758 -10.171
  617    HE3  MET  80           HE3      MET  80   9.500   1.349  -8.440
  618    HA   PRO  81           HA       PRO  81  15.368   0.636 -12.997
  619    HB2  PRO  81           HB2      PRO  81  13.043  -1.254 -12.559
  620    HB3  PRO  81           HB3      PRO  81  14.747  -1.644 -12.952
  621    HG2  PRO  81           HG2      PRO  81  13.840  -1.911 -10.415
  622    HG3  PRO  81           HG3      PRO  81  15.444  -1.162 -10.714
  623    HD2  PRO  81           HD2      PRO  81  12.807   0.206 -10.144
  624    HD3  PRO  81           HD3      PRO  81  14.432   0.550  -9.474
  625    H    LYS  82           H        LYS  82  14.710   0.342 -15.244
  626    HA   LYS  82           HA       LYS  82  12.024   1.315 -15.973
  627    HB2  LYS  82           HB2      LYS  82  14.630   2.471 -17.081
  628    HB3  LYS  82           HB3      LYS  82  12.999   2.863 -17.645
  629    HG2  LYS  82           HG2      LYS  82  12.439   3.815 -15.439
  630    HG3  LYS  82           HG3      LYS  82  14.052   3.391 -14.850
  631    HD2  LYS  82           HD2      LYS  82  15.063   4.925 -16.535
  632    HD3  LYS  82           HD3      LYS  82  13.431   5.385 -17.052
  633    HE2  LYS  82           HE2      LYS  82  14.253   7.051 -15.466
  634    HE3  LYS  82           HE3      LYS  82  12.912   6.162 -14.747
  635    HZ1  LYS  82           HZ1      LYS  82  15.787   5.760 -14.145
  636    HZ2  LYS  82           HZ2      LYS  82  14.629   6.388 -13.155
  637    HZ3  LYS  82           HZ3      LYS  82  14.586   4.808 -13.536
  638    H    VAL  83           H        VAL  83  11.427   0.709 -18.148
  639    HA   VAL  83           HA       VAL  83  13.185  -1.121 -19.615
  640    HB   VAL  83           HB       VAL  83  12.167  -2.483 -17.806
  641   HG11  VAL  83          HG11      VAL  83   9.473  -1.914 -19.088
  642   HG12  VAL  83          HG12      VAL  83   9.803  -3.036 -17.754
  643   HG13  VAL  83          HG13      VAL  83  10.016  -1.297 -17.513
  644   HG21  VAL  83          HG21      VAL  83  11.095  -3.318 -20.515
  645   HG22  VAL  83          HG22      VAL  83  12.773  -3.528 -19.956
  646   HG23  VAL  83          HG23      VAL  83  11.448  -4.348 -19.121
  647    H    LYS  84           H        LYS  84  12.262  -1.599 -21.775
  648    HA   LYS  84           HA       LYS  84  10.727   0.566 -22.949
  649    HB2  LYS  84           HB2      LYS  84  12.544  -0.682 -24.068
  650    HB3  LYS  84           HB3      LYS  84  11.600  -2.168 -23.993
  651    HG2  LYS  84           HG2      LYS  84  10.346   0.208 -25.327
  652    HG3  LYS  84           HG3      LYS  84  11.739  -0.522 -26.131
  653    HD2  LYS  84           HD2      LYS  84  10.610  -2.755 -26.047
  654    HD3  LYS  84           HD3      LYS  84   9.160  -1.988 -25.409
  655    HE2  LYS  84           HE2      LYS  84  10.475  -1.460 -28.109
  656    HE3  LYS  84           HE3      LYS  84   8.991  -2.379 -27.818
  657    HZ1  LYS  84           HZ1      LYS  84   8.066  -0.255 -26.878
  658    HZ2  LYS  84           HZ2      LYS  84   9.381   0.524 -27.478
  659    HZ3  LYS  84           HZ3      LYS  84   8.337  -0.215 -28.492
  660    H    GLY  85           H        GLY  85   8.597   0.347 -23.864
  661    HA2  GLY  85           HA2      GLY  85   7.007  -2.040 -23.278
  662    HA3  GLY  85           HA3      GLY  85   6.486  -0.538 -22.490
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1   2.548   1.104  -0.370
    2    H2   ALA   1           H2       ALA   1   4.031   0.458  -0.667
    3    H3   ALA   1           H3       ALA   1   3.781   2.071  -0.830
    4    HA   ALA   1           HA       ALA   1   3.887   1.070  -2.977
    5    HB1  ALA   1           HB1      ALA   1   1.489  -0.572  -2.039
    6    HB2  ALA   1           HB2      ALA   1   2.169  -0.550  -3.678
    7    HB3  ALA   1           HB3      ALA   1   3.129  -1.196  -2.338
    8    H    GLU   2           H        GLU   2   2.603   1.900  -4.757
    9    HA   GLU   2           HA       GLU   2   0.129   3.341  -4.234
   10    HB2  GLU   2           HB2      GLU   2   0.971   5.443  -5.047
   11    HB3  GLU   2           HB3      GLU   2   1.841   5.001  -3.583
   12    HG2  GLU   2           HG2      GLU   2   2.948   4.659  -6.400
   13    HG3  GLU   2           HG3      GLU   2   3.144   6.088  -5.413
   14    H    HIS   3           H        HIS   3  -0.707   4.144  -6.420
   15    HA   HIS   3           HA       HIS   3   0.060   2.312  -8.612
   16    HB2  HIS   3           HB2      HIS   3  -2.083   4.420  -8.223
   17    HB3  HIS   3           HB3      HIS   3  -1.644   3.875  -9.840
   18    HD1  HIS   3           HD1      HIS   3  -3.154   2.370  -6.584
   19    HD2  HIS   3           HD2      HIS   3  -2.431   1.496 -10.653
   20    HE1  HIS   3           HE1      HIS   3  -4.398   0.218  -7.094
   21    H    TRP   4           H        TRP   4   0.913   3.085 -10.625
   22    HA   TRP   4           HA       TRP   4   2.329   5.704 -10.511
   23    HB2  TRP   4           HB2      TRP   4   3.373   2.965 -11.302
   24    HB3  TRP   4           HB3      TRP   4   4.067   4.446 -11.941
   25    HD1  TRP   4           HD1      TRP   4   3.698   2.584  -8.609
   26    HE1  TRP   4           HE1      TRP   4   5.293   3.554  -6.887
   27    HE3  TRP   4           HE3      TRP   4   5.481   6.526 -11.344
   28    HZ2  TRP   4           HZ2      TRP   4   7.248   5.722  -6.758
   29    HZ3  TRP   4           HZ3      TRP   4   7.170   8.059 -10.378
   30    HH2  TRP   4           HH2      TRP   4   8.052   7.673  -8.084
   31    H    ILE   5           H        ILE   5   2.062   6.907 -12.319
   32    HA   ILE   5           HA       ILE   5   0.724   5.672 -14.681
   33    HB   ILE   5           HB       ILE   5  -0.019   8.296 -13.357
   34   HG12  ILE   5          HG12      ILE   5  -0.730   6.506 -11.821
   35   HG13  ILE   5          HG13      ILE   5  -2.041   7.445 -12.489
   36   HG21  ILE   5          HG21      ILE   5  -0.435   8.224 -15.749
   37   HG22  ILE   5          HG22      ILE   5  -1.339   6.713 -15.587
   38   HG23  ILE   5          HG23      ILE   5  -1.968   8.221 -14.869
   39   HD11  ILE   5          HD11      ILE   5  -2.738   5.650 -13.936
   40   HD12  ILE   5          HD12      ILE   5  -1.289   4.700 -13.562
   41   HD13  ILE   5          HD13      ILE   5  -2.510   4.994 -12.312
   42    H    ASP   6           H        ASP   6   1.705   6.286 -16.530
   43    HA   ASP   6           HA       ASP   6   3.770   8.445 -16.563
   44    HB2  ASP   6           HB2      ASP   6   4.548   6.544 -17.765
   45    HB3  ASP   6           HB3      ASP   6   2.955   6.198 -18.424
   46    H    VAL   7           H        VAL   7   2.967  10.404 -17.059
   47    HA   VAL   7           HA       VAL   7   0.310  10.538 -18.404
   48    HB   VAL   7           HB       VAL   7  -0.160  12.583 -17.216
   49   HG11  VAL   7          HG11      VAL   7   0.699  10.379 -15.307
   50   HG12  VAL   7          HG12      VAL   7  -0.450  11.689 -14.975
   51   HG13  VAL   7          HG13      VAL   7  -0.839  10.476 -16.199
   52   HG21  VAL   7          HG21      VAL   7   2.486  12.135 -15.727
   53   HG22  VAL   7          HG22      VAL   7   2.200  13.413 -16.934
   54   HG23  VAL   7          HG23      VAL   7   1.274  13.398 -15.436
   55    H    ARG   8           H        ARG   8   3.045  10.485 -19.754
   56    HA   ARG   8           HA       ARG   8   2.593  13.030 -21.272
   57    HB2  ARG   8           HB2      ARG   8   4.995  12.116 -20.171
   58    HB3  ARG   8           HB3      ARG   8   5.110  11.610 -21.856
   59    HG2  ARG   8           HG2      ARG   8   4.375  14.020 -22.473
   60    HG3  ARG   8           HG3      ARG   8   4.572  14.395 -20.754
   61    HD2  ARG   8           HD2      ARG   8   6.975  13.504 -21.011
   62    HD3  ARG   8           HD3      ARG   8   6.686  13.511 -22.751
   63    HE   ARG   8           HE       ARG   8   6.285  15.959 -21.027
   64   HH11  ARG   8          HH11      ARG   8   7.840  14.575 -23.927
   65   HH12  ARG   8          HH12      ARG   8   8.364  16.111 -24.503
   66   HH21  ARG   8          HH21      ARG   8   6.912  17.892 -21.775
   67   HH22  ARG   8          HH22      ARG   8   7.825  18.076 -23.246
   68    H    VAL   9           H        VAL   9   3.740  12.413 -23.648
   69    HA   VAL   9           HA       VAL   9   1.695  10.833 -24.907
   70    HB   VAL   9           HB       VAL   9   3.259  11.053 -26.916
   71   HG11  VAL   9          HG11      VAL   9   2.727  13.437 -27.240
   72   HG12  VAL   9          HG12      VAL   9   1.361  12.573 -26.519
   73   HG13  VAL   9          HG13      VAL   9   2.381  13.618 -25.507
   74   HG21  VAL   9          HG21      VAL   9   5.100  12.601 -26.857
   75   HG22  VAL   9          HG22      VAL   9   4.802  13.032 -25.168
   76   HG23  VAL   9          HG23      VAL   9   5.397  11.411 -25.579
   77    HA   PRO  10           HA       PRO  10   3.461   6.798 -24.473
   78    HB2  PRO  10           HB2      PRO  10   2.860   5.610 -26.903
   79    HB3  PRO  10           HB3      PRO  10   1.701   5.849 -25.553
   80    HG2  PRO  10           HG2      PRO  10   2.109   7.556 -28.020
   81    HG3  PRO  10           HG3      PRO  10   0.563   7.005 -27.294
   82    HD2  PRO  10           HD2      PRO  10   1.532   9.488 -26.838
   83    HD3  PRO  10           HD3      PRO  10   0.737   8.569 -25.526
   84    H    GLU  11           H        GLU  11   4.573   8.939 -26.987
   85    HA   GLU  11           HA       GLU  11   6.695   7.483 -28.083
   86    HB2  GLU  11           HB2      GLU  11   5.883   9.752 -28.773
   87    HB3  GLU  11           HB3      GLU  11   6.670  10.444 -27.347
   88    HG2  GLU  11           HG2      GLU  11   8.868   9.669 -28.166
   89    HG3  GLU  11           HG3      GLU  11   8.092   8.883 -29.545
   90    H    GLN  12           H        GLN  12   6.598   9.170 -24.805
   91    HA   GLN  12           HA       GLN  12   9.355   8.419 -24.327
   92    HB2  GLN  12           HB2      GLN  12   9.091   8.915 -22.060
   93    HB3  GLN  12           HB3      GLN  12   8.340  10.196 -22.991
   94    HG2  GLN  12           HG2      GLN  12   6.144   9.548 -22.284
   95    HG3  GLN  12           HG3      GLN  12   6.687   7.991 -21.670
   96   HE21  GLN  12          HE22      GLN  12   7.312   7.804 -19.537
   97   HE22  GLN  12          HE21      GLN  12   7.487   9.164 -18.470
   98    H    TYR  13           H        TYR  13   6.212   6.897 -23.562
   99    HA   TYR  13           HA       TYR  13   7.087   4.839 -21.956
  100    HB2  TYR  13           HB2      TYR  13   4.726   5.657 -22.502
  101    HB3  TYR  13           HB3      TYR  13   4.795   4.696 -23.959
  102    HD1  TYR  13           HD1      TYR  13   4.562   4.619 -20.277
  103    HD2  TYR  13           HD2      TYR  13   4.539   2.268 -23.896
  104    HE1  TYR  13           HE1      TYR  13   3.542   2.732 -19.039
  105    HE2  TYR  13           HE2      TYR  13   3.495   0.388 -22.676
  106    HH   TYR  13           HH       TYR  13   2.634  -0.357 -20.643
  107    H    GLN  14           H        GLN  14   6.917   4.975 -25.470
  108    HA   GLN  14           HA       GLN  14   7.551   2.346 -26.172
  109    HB2  GLN  14           HB2      GLN  14   6.670   4.165 -27.627
  110    HB3  GLN  14           HB3      GLN  14   8.215   5.000 -27.523
  111    HG2  GLN  14           HG2      GLN  14   8.027   3.876 -29.631
  112    HG3  GLN  14           HG3      GLN  14   9.327   3.138 -28.695
  113   HE21  GLN  14          HE22      GLN  14   5.797   2.722 -29.456
  114   HE22  GLN  14          HE21      GLN  14   5.827   0.979 -29.406
  115    H    GLN  15           H        GLN  15   9.816   5.164 -25.630
  116    HA   GLN  15           HA       GLN  15  12.103   3.443 -26.156
  117    HB2  GLN  15           HB2      GLN  15  13.481   5.374 -25.444
  118    HB3  GLN  15           HB3      GLN  15  12.426   5.654 -26.822
  119    HG2  GLN  15           HG2      GLN  15  10.895   6.968 -25.480
  120    HG3  GLN  15           HG3      GLN  15  11.779   6.588 -24.003
  121   HE21  GLN  15          HE22      GLN  15  13.495   7.881 -23.416
  122   HE22  GLN  15          HE21      GLN  15  14.141   9.182 -24.418
  123    H    GLU  16           H        GLU  16  10.685   4.902 -23.128
  124    HA   GLU  16           HA       GLU  16  11.112   2.458 -21.848
  125    HB2  GLU  16           HB2      GLU  16  12.560   3.006 -20.012
  126    HB3  GLU  16           HB3      GLU  16  13.444   3.045 -21.508
  127    HG2  GLU  16           HG2      GLU  16  12.393   5.533 -20.091
  128    HG3  GLU  16           HG3      GLU  16  13.971   4.833 -19.796
  129    H    HIS  17           H        HIS  17  10.015   2.295 -19.858
  130    HA   HIS  17           HA       HIS  17   8.867   4.743 -18.676
  131    HB2  HIS  17           HB2      HIS  17   6.688   3.576 -18.381
  132    HB3  HIS  17           HB3      HIS  17   7.051   3.987 -20.040
  133    HD1  HIS  17           HD1      HIS  17   7.521   1.849 -21.720
  134    HD2  HIS  17           HD2      HIS  17   6.318   1.035 -17.762
  135    HE1  HIS  17           HE1      HIS  17   6.774  -0.590 -21.666
  136    H    VAL  18           H        VAL  18   8.362   4.453 -16.471
  137    HA   VAL  18           HA       VAL  18  10.109   2.830 -14.900
  138    HB   VAL  18           HB       VAL  18   7.567   4.418 -14.368
  139   HG11  VAL  18          HG11      VAL  18   7.599   2.695 -12.628
  140   HG12  VAL  18          HG12      VAL  18   9.319   3.007 -12.308
  141   HG13  VAL  18          HG13      VAL  18   8.091   4.238 -11.932
  142   HG21  VAL  18          HG21      VAL  18   9.082   6.002 -13.310
  143   HG22  VAL  18          HG22      VAL  18  10.471   4.921 -13.575
  144   HG23  VAL  18          HG23      VAL  18   9.647   5.685 -14.949
  145    H    GLN  19           H        GLN  19   9.937   0.749 -14.276
  146    HA   GLN  19           HA       GLN  19   7.984  -0.951 -15.490
  147    HB2  GLN  19           HB2      GLN  19  10.396  -1.485 -14.822
  148    HB3  GLN  19           HB3      GLN  19   9.830  -1.651 -13.163
  149    HG2  GLN  19           HG2      GLN  19   8.844  -3.255 -15.575
  150    HG3  GLN  19           HG3      GLN  19  10.039  -3.806 -14.413
  151   HE21  GLN  19          HE22      GLN  19   6.587  -3.367 -14.999
  152   HE22  GLN  19          HE21      GLN  19   6.049  -4.066 -13.500
  153    H    GLY  20           H        GLY  20   5.898  -0.743 -14.920
  154    HA2  GLY  20           HA2      GLY  20   4.321  -1.625 -13.183
  155    HA3  GLY  20           HA3      GLY  20   5.124  -0.536 -12.039
  156    H    ALA  21           H        ALA  21   5.378   1.359 -14.575
  157    HA   ALA  21           HA       ALA  21   2.899   2.848 -14.025
  158    HB1  ALA  21           HB1      ALA  21   5.174   3.448 -15.963
  159    HB2  ALA  21           HB2      ALA  21   3.875   4.567 -15.493
  160    HB3  ALA  21           HB3      ALA  21   5.071   4.047 -14.288
  161    H    ILE  22           H        ILE  22   1.646   3.700 -15.812
  162    HA   ILE  22           HA       ILE  22   1.385   2.014 -18.215
  163    HB   ILE  22           HB       ILE  22  -1.102   2.064 -17.829
  164   HG12  ILE  22          HG12      ILE  22  -0.388   2.702 -14.926
  165   HG13  ILE  22          HG13      ILE  22  -1.204   3.795 -16.047
  166   HG21  ILE  22          HG21      ILE  22   0.416   0.423 -15.764
  167   HG22  ILE  22          HG22      ILE  22  -1.115   0.010 -16.562
  168   HG23  ILE  22          HG23      ILE  22   0.375   0.055 -17.502
  169   HD11  ILE  22          HD11      ILE  22  -2.859   2.818 -14.621
  170   HD12  ILE  22          HD12      ILE  22  -3.076   2.121 -16.240
  171   HD13  ILE  22          HD13      ILE  22  -2.291   1.177 -14.950
  172    H    ASN  23           H        ASN  23   0.743   3.245 -19.999
  173    HA   ASN  23           HA       ASN  23   1.190   6.109 -19.730
  174    HB2  ASN  23           HB2      ASN  23   2.092   4.907 -21.663
  175    HB3  ASN  23           HB3      ASN  23   0.464   4.414 -22.155
  176   HD21  ASN  23          HD22      ASN  23   2.511   7.324 -21.496
  177   HD22  ASN  23          HD21      ASN  23   1.575   8.429 -22.472
  178    H    ILE  24           H        ILE  24  -0.356   7.454 -19.089
  179    HA   ILE  24           HA       ILE  24  -3.034   7.359 -20.335
  180    HB   ILE  24           HB       ILE  24  -2.664   7.752 -17.342
  181   HG12  ILE  24          HG12      ILE  24  -3.723   5.321 -18.843
  182   HG13  ILE  24          HG13      ILE  24  -2.310   5.390 -17.781
  183   HG21  ILE  24          HG21      ILE  24  -5.202   7.414 -18.971
  184   HG22  ILE  24          HG22      ILE  24  -5.063   7.916 -17.268
  185   HG23  ILE  24          HG23      ILE  24  -4.534   9.002 -18.549
  186   HD11  ILE  24          HD11      ILE  24  -3.872   5.982 -15.877
  187   HD12  ILE  24          HD12      ILE  24  -5.224   5.599 -16.969
  188   HD13  ILE  24          HD13      ILE  24  -4.049   4.347 -16.551
  189    HA   PRO  25           HA       PRO  25  -0.433  11.113 -20.816
  190    HB2  PRO  25           HB2      PRO  25  -2.605  11.695 -22.839
  191    HB3  PRO  25           HB3      PRO  25  -0.834  11.948 -22.981
  192    HG2  PRO  25           HG2      PRO  25  -1.981   9.790 -24.140
  193    HG3  PRO  25           HG3      PRO  25  -0.450   9.592 -23.225
  194    HD2  PRO  25           HD2      PRO  25  -3.272   9.011 -22.303
  195    HD3  PRO  25           HD3      PRO  25  -1.796   8.026 -22.107
  196    H    LEU  26           H        LEU  26  -0.579  13.257 -20.159
  197    HA   LEU  26           HA       LEU  26  -2.248  14.122 -18.221
  198    HB2  LEU  26           HB2      LEU  26  -0.152  15.207 -18.818
  199    HB3  LEU  26           HB3      LEU  26  -0.797  15.695 -20.385
  200    HG   LEU  26           HG       LEU  26  -2.418  17.223 -19.232
  201   HD11  LEU  26          HD11      LEU  26  -0.828  16.481 -16.741
  202   HD12  LEU  26          HD12      LEU  26  -2.060  17.758 -16.850
  203   HD13  LEU  26          HD13      LEU  26  -2.530  16.063 -17.031
  204   HD21  LEU  26          HD21      LEU  26  -0.778  18.914 -18.647
  205   HD22  LEU  26          HD22      LEU  26   0.495  17.682 -18.494
  206   HD23  LEU  26          HD23      LEU  26  -0.241  18.025 -20.078
  207    H    LYS  27           H        LYS  27  -2.824  14.608 -21.721
  208    HA   LYS  27           HA       LYS  27  -5.053  16.365 -21.428
  209    HB2  LYS  27           HB2      LYS  27  -4.338  14.474 -23.716
  210    HB3  LYS  27           HB3      LYS  27  -5.488  15.797 -23.822
  211    HG2  LYS  27           HG2      LYS  27  -2.485  16.048 -23.335
  212    HG3  LYS  27           HG3      LYS  27  -3.338  16.404 -24.828
  213    HD2  LYS  27           HD2      LYS  27  -3.605  17.937 -22.204
  214    HD3  LYS  27           HD3      LYS  27  -2.720  18.445 -23.643
  215    HE2  LYS  27           HE2      LYS  27  -4.843  18.434 -24.955
  216    HE3  LYS  27           HE3      LYS  27  -5.735  17.986 -23.496
  217    HZ1  LYS  27           HZ1      LYS  27  -5.825  20.361 -23.892
  218    HZ2  LYS  27           HZ2      LYS  27  -5.026  20.087 -22.500
  219    HZ3  LYS  27           HZ3      LYS  27  -4.204  20.498 -23.854
  220    H    GLU  28           H        GLU  28  -4.894  12.975 -20.789
  221    HA   GLU  28           HA       GLU  28  -7.869  12.776 -20.907
  222    HB2  GLU  28           HB2      GLU  28  -5.818  10.674 -21.715
  223    HB3  GLU  28           HB3      GLU  28  -7.571  10.452 -21.620
  224    HG2  GLU  28           HG2      GLU  28  -7.871  12.230 -23.353
  225    HG3  GLU  28           HG3      GLU  28  -6.111  12.341 -23.509
  226    H    VAL  29           H        VAL  29  -5.066  12.499 -18.875
  227    HA   VAL  29           HA       VAL  29  -5.721  10.415 -17.231
  228    HB   VAL  29           HB       VAL  29  -3.661  11.995 -17.247
  229   HG11  VAL  29          HG11      VAL  29  -5.192  13.493 -15.093
  230   HG12  VAL  29          HG12      VAL  29  -3.529  13.752 -15.641
  231   HG13  VAL  29          HG13      VAL  29  -4.871  14.117 -16.729
  232   HG21  VAL  29          HG21      VAL  29  -4.792  10.964 -14.623
  233   HG22  VAL  29          HG22      VAL  29  -3.829  10.052 -15.804
  234   HG23  VAL  29          HG23      VAL  29  -3.096  11.401 -14.925
  235    H    LYS  30           H        LYS  30  -7.185  13.649 -17.210
  236    HA   LYS  30           HA       LYS  30  -8.709  13.468 -14.857
  237    HB2  LYS  30           HB2      LYS  30  -8.240  15.465 -16.423
  238    HB3  LYS  30           HB3      LYS  30  -9.590  14.877 -17.400
  239    HG2  LYS  30           HG2      LYS  30 -11.108  15.132 -15.441
  240    HG3  LYS  30           HG3      LYS  30  -9.729  15.581 -14.429
  241    HD2  LYS  30           HD2      LYS  30 -10.926  17.569 -15.012
  242    HD3  LYS  30           HD3      LYS  30  -9.353  17.593 -15.825
  243    HE2  LYS  30           HE2      LYS  30 -10.430  16.844 -17.937
  244    HE3  LYS  30           HE3      LYS  30 -11.992  16.747 -17.116
  245    HZ1  LYS  30           HZ1      LYS  30 -11.767  18.804 -18.352
  246    HZ2  LYS  30           HZ2      LYS  30 -11.884  19.145 -16.766
  247    HZ3  LYS  30           HZ3      LYS  30 -10.436  19.238 -17.520
  248    H    GLU  31           H        GLU  31  -9.231  11.867 -17.954
  249    HA   GLU  31           HA       GLU  31 -12.058  11.241 -17.264
  250    HB2  GLU  31           HB2      GLU  31 -10.528  11.016 -19.893
  251    HB3  GLU  31           HB3      GLU  31 -12.243  10.690 -19.668
  252    HG2  GLU  31           HG2      GLU  31 -10.856  13.388 -19.397
  253    HG3  GLU  31           HG3      GLU  31 -11.911  12.868 -20.700
  254    H    ARG  32           H        ARG  32  -9.020   9.877 -16.879
  255    HA   ARG  32           HA       ARG  32 -10.011   7.076 -17.340
  256    HB2  ARG  32           HB2      ARG  32  -7.337   8.361 -17.994
  257    HB3  ARG  32           HB3      ARG  32  -7.641   6.618 -18.061
  258    HG2  ARG  32           HG2      ARG  32  -9.353   6.950 -19.800
  259    HG3  ARG  32           HG3      ARG  32  -9.115   8.707 -19.737
  260    HD2  ARG  32           HD2      ARG  32  -6.782   8.475 -20.422
  261    HD3  ARG  32           HD3      ARG  32  -6.924   6.710 -20.450
  262    HE   ARG  32           HE       ARG  32  -7.821   8.614 -22.471
  263   HH11  ARG  32          HH11      ARG  32  -8.362   5.283 -21.302
  264   HH12  ARG  32          HH12      ARG  32  -8.958   4.740 -22.826
  265   HH21  ARG  32          HH21      ARG  32  -8.510   7.943 -24.354
  266   HH22  ARG  32          HH22      ARG  32  -9.080   6.311 -24.659
  267    H    ILE  33           H        ILE  33  -8.179   9.229 -15.158
  268    HA   ILE  33           HA       ILE  33  -6.982   7.217 -13.604
  269    HB   ILE  33           HB       ILE  33  -6.568   9.675 -13.462
  270   HG12  ILE  33          HG12      ILE  33  -6.336   9.734 -10.931
  271   HG13  ILE  33          HG13      ILE  33  -7.116   8.162 -10.885
  272   HG21  ILE  33          HG21      ILE  33  -7.984  11.119 -12.141
  273   HG22  ILE  33          HG22      ILE  33  -8.962  10.414 -13.413
  274   HG23  ILE  33          HG23      ILE  33  -9.082   9.799 -11.745
  275   HD11  ILE  33          HD11      ILE  33  -4.532   8.790 -12.373
  276   HD12  ILE  33          HD12      ILE  33  -4.662   7.985 -10.796
  277   HD13  ILE  33          HD13      ILE  33  -5.292   7.187 -12.241
  278    H    ALA  34           H        ALA  34 -10.360   8.343 -13.660
  279    HA   ALA  34           HA       ALA  34 -11.256   7.166 -11.278
  280    HB1  ALA  34           HB1      ALA  34 -12.782   7.635 -13.880
  281    HB2  ALA  34           HB2      ALA  34 -13.499   7.390 -12.276
  282    HB3  ALA  34           HB3      ALA  34 -12.524   8.836 -12.588
  283    H    THR  35           H        THR  35 -10.357   5.527 -14.252
  284    HA   THR  35           HA       THR  35 -11.602   3.015 -13.263
  285    HB   THR  35           HB       THR  35 -11.131   2.400 -15.764
  286    HG1  THR  35           HG1      THR  35 -10.025   4.287 -16.369
  287   HG21  THR  35          HG21      THR  35 -13.320   4.391 -15.007
  288   HG22  THR  35          HG22      THR  35 -13.334   3.306 -16.417
  289   HG23  THR  35          HG23      THR  35 -13.385   2.629 -14.782
  290    H    ALA  36           H        ALA  36  -8.527   4.582 -14.188
  291    HA   ALA  36           HA       ALA  36  -6.954   2.168 -14.040
  292    HB1  ALA  36           HB1      ALA  36  -5.057   3.722 -13.946
  293    HB2  ALA  36           HB2      ALA  36  -6.217   4.225 -15.194
  294    HB3  ALA  36           HB3      ALA  36  -6.149   5.084 -13.637
  295    H    VAL  37           H        VAL  37  -7.935   4.667 -11.675
  296    HA   VAL  37           HA       VAL  37  -7.105   2.959  -9.417
  297    HB   VAL  37           HB       VAL  37  -6.471   5.872  -9.500
  298   HG11  VAL  37          HG11      VAL  37  -5.084   5.326  -7.524
  299   HG12  VAL  37          HG12      VAL  37  -6.758   4.845  -7.255
  300   HG13  VAL  37          HG13      VAL  37  -5.543   3.618  -7.667
  301   HG21  VAL  37          HG21      VAL  37  -4.068   5.274  -9.707
  302   HG22  VAL  37          HG22      VAL  37  -4.557   3.608 -10.095
  303   HG23  VAL  37          HG23      VAL  37  -4.991   4.952 -11.170
  304    HA   PRO  38           HA       PRO  38 -11.451   4.676  -9.452
  305    HB2  PRO  38           HB2      PRO  38 -12.005   2.050  -8.095
  306    HB3  PRO  38           HB3      PRO  38 -12.934   2.878  -9.382
  307    HG2  PRO  38           HG2      PRO  38 -11.363   0.726  -9.946
  308    HG3  PRO  38           HG3      PRO  38 -11.439   2.129 -11.059
  309    HD2  PRO  38           HD2      PRO  38  -9.322   1.488  -8.993
  310    HD3  PRO  38           HD3      PRO  38  -9.130   2.029 -10.683
  311    H    ASP  39           H        ASP  39  -9.684   2.951  -6.847
  312    HA   ASP  39           HA       ASP  39 -11.177   4.301  -4.725
  313    HB2  ASP  39           HB2      ASP  39 -10.443   2.035  -4.319
  314    HB3  ASP  39           HB3      ASP  39  -8.757   2.475  -4.633
  315    H    LYS  40           H        LYS  40 -10.826   6.478  -5.192
  316    HA   LYS  40           HA       LYS  40  -8.261   7.608  -5.538
  317    HB2  LYS  40           HB2      LYS  40  -9.349   9.755  -5.361
  318    HB3  LYS  40           HB3      LYS  40 -10.313   8.647  -6.327
  319    HG2  LYS  40           HG2      LYS  40 -11.881   8.314  -4.459
  320    HG3  LYS  40           HG3      LYS  40 -10.856   9.273  -3.389
  321    HD2  LYS  40           HD2      LYS  40 -12.753  10.613  -4.152
  322    HD3  LYS  40           HD3      LYS  40 -11.228  11.280  -4.710
  323    HE2  LYS  40           HE2      LYS  40 -12.794  11.487  -6.491
  324    HE3  LYS  40           HE3      LYS  40 -11.601  10.284  -6.966
  325    HZ1  LYS  40           HZ1      LYS  40 -13.231   8.554  -6.412
  326    HZ2  LYS  40           HZ2      LYS  40 -14.316   9.679  -5.921
  327    HZ3  LYS  40           HZ3      LYS  40 -13.873   9.599  -7.483
  328    H    ASN  41           H        ASN  41  -9.287   6.231  -2.659
  329    HA   ASN  41           HA       ASN  41  -7.893   8.116  -0.892
  330    HB2  ASN  41           HB2      ASN  41  -9.775   6.695  -0.072
  331    HB3  ASN  41           HB3      ASN  41  -8.799   5.259  -0.401
  332   HD21  ASN  41          HD22      ASN  41  -7.714   4.462   1.383
  333   HD22  ASN  41          HD21      ASN  41  -7.213   5.423   2.748
  334    H    ASP  42           H        ASP  42  -6.995   5.556  -3.123
  335    HA   ASP  42           HA       ASP  42  -4.587   4.748  -1.693
  336    HB2  ASP  42           HB2      ASP  42  -5.739   3.257  -3.319
  337    HB3  ASP  42           HB3      ASP  42  -5.324   4.384  -4.619
  338    H    THR  43           H        THR  43  -2.411   5.195  -2.469
  339    HA   THR  43           HA       THR  43  -2.029   8.010  -3.168
  340    HB   THR  43           HB       THR  43  -0.050   5.740  -2.722
  341    HG1  THR  43           HG1      THR  43  -1.226   6.330  -0.864
  342   HG21  THR  43          HG21      THR  43   0.404   8.754  -2.970
  343   HG22  THR  43          HG22      THR  43   1.605   7.600  -2.332
  344   HG23  THR  43          HG23      THR  43   1.080   7.499  -4.010
  345    H    VAL  44           H        VAL  44  -1.057   8.744  -5.116
  346    HA   VAL  44           HA       VAL  44  -0.566   6.755  -7.263
  347    HB   VAL  44           HB       VAL  44  -1.866   9.470  -7.725
  348   HG11  VAL  44          HG11      VAL  44  -1.614   7.026  -9.526
  349   HG12  VAL  44          HG12      VAL  44  -2.431   8.547  -9.947
  350   HG13  VAL  44          HG13      VAL  44  -0.693   8.544  -9.677
  351   HG21  VAL  44          HG21      VAL  44  -3.308   6.813  -7.500
  352   HG22  VAL  44          HG22      VAL  44  -3.553   8.269  -6.502
  353   HG23  VAL  44          HG23      VAL  44  -4.011   8.291  -8.204
  354    H    LYS  45           H        LYS  45   1.276   7.319  -8.522
  355    HA   LYS  45           HA       LYS  45   2.490   9.977  -7.970
  356    HB2  LYS  45           HB2      LYS  45   3.897   7.288  -7.900
  357    HB3  LYS  45           HB3      LYS  45   4.756   8.790  -8.294
  358    HG2  LYS  45           HG2      LYS  45   4.080   9.817  -6.184
  359    HG3  LYS  45           HG3      LYS  45   3.119   8.395  -5.756
  360    HD2  LYS  45           HD2      LYS  45   5.205   7.019  -5.787
  361    HD3  LYS  45           HD3      LYS  45   6.151   8.495  -6.063
  362    HE2  LYS  45           HE2      LYS  45   5.549   9.413  -3.942
  363    HE3  LYS  45           HE3      LYS  45   4.194   8.293  -3.747
  364    HZ1  LYS  45           HZ1      LYS  45   6.084   7.678  -2.368
  365    HZ2  LYS  45           HZ2      LYS  45   5.707   6.492  -3.432
  366    HZ3  LYS  45           HZ3      LYS  45   7.030   7.454  -3.679
  367    H    VAL  46           H        VAL  46   3.417  10.919  -9.668
  368    HA   VAL  46           HA       VAL  46   2.932   9.729 -12.358
  369    HB   VAL  46           HB       VAL  46   2.243  12.098 -12.999
  370   HG11  VAL  46          HG11      VAL  46  -0.104  11.751 -12.329
  371   HG12  VAL  46          HG12      VAL  46   0.660  10.264 -12.889
  372   HG13  VAL  46          HG13      VAL  46   0.402  10.521 -11.150
  373   HG21  VAL  46          HG21      VAL  46   1.202  13.518 -11.315
  374   HG22  VAL  46          HG22      VAL  46   1.656  12.415 -10.014
  375   HG23  VAL  46          HG23      VAL  46   2.907  13.302 -10.908
  376    H    TYR  47           H        TYR  47   4.407  10.463 -13.964
  377    HA   TYR  47           HA       TYR  47   6.555  12.270 -13.302
  378    HB2  TYR  47           HB2      TYR  47   8.351  10.755 -13.672
  379    HB3  TYR  47           HB3      TYR  47   7.353   9.989 -12.461
  380    HD1  TYR  47           HD2      TYR  47   5.543   8.262 -13.330
  381    HD2  TYR  47           HD1      TYR  47   8.957   9.558 -15.629
  382    HE1  TYR  47           HE2      TYR  47   5.261   6.333 -14.818
  383    HE2  TYR  47           HE1      TYR  47   8.727   7.544 -17.080
  384    HH   TYR  47           HH       TYR  47   6.062   5.217 -16.720
  385    H    CYS  48           H        CYS  48   7.893  12.569 -15.405
  386    HA   CYS  48           HA       CYS  48   6.872  11.458 -17.845
  387    HB2  CYS  48           HB2      CYS  48   6.181  13.636 -18.873
  388    HB3  CYS  48           HB3      CYS  48   5.106  13.116 -17.573
  389    HG   CYS  48           HG       CYS  48   6.316  14.530 -15.690
  390    H    ASN  49           H        ASN  49   8.122  12.425 -19.724
  391    HA   ASN  49           HA       ASN  49  10.838  12.443 -19.386
  392    HB2  ASN  49           HB2      ASN  49   9.727  12.174 -21.564
  393    HB3  ASN  49           HB3      ASN  49   9.271  13.876 -21.568
  394   HD21  ASN  49          HD22      ASN  49  12.094  11.649 -21.706
  395   HD22  ASN  49          HD21      ASN  49  13.186  12.829 -22.372
  396    H    ALA  50           H        ALA  50   8.872  15.464 -19.724
  397    HA   ALA  50           HA       ALA  50  11.175  17.149 -19.231
  398    HB1  ALA  50           HB1      ALA  50   9.288  17.918 -20.601
  399    HB2  ALA  50           HB2      ALA  50   8.194  17.802 -19.197
  400    HB3  ALA  50           HB3      ALA  50   9.520  18.981 -19.204
  401    H    GLY  51           H        GLY  51   8.514  15.866 -17.218
  402    HA2  GLY  51           HA2      GLY  51   8.764  15.369 -14.947
  403    HA3  GLY  51           HA3      GLY  51  10.056  16.567 -14.784
  404    H    ARG  52           H        ARG  52   7.376  17.839 -16.512
  405    HA   ARG  52           HA       ARG  52   6.220  19.029 -14.042
  406    HB2  ARG  52           HB2      ARG  52   6.044  21.129 -14.968
  407    HB3  ARG  52           HB3      ARG  52   7.720  20.593 -15.058
  408    HG2  ARG  52           HG2      ARG  52   7.439  20.114 -17.491
  409    HG3  ARG  52           HG3      ARG  52   5.735  20.638 -17.376
  410    HD2  ARG  52           HD2      ARG  52   6.486  22.840 -16.522
  411    HD3  ARG  52           HD3      ARG  52   8.161  22.319 -16.682
  412    HE   ARG  52           HE       ARG  52   8.093  22.625 -18.962
  413   HH11  ARG  52          HH11      ARG  52   4.772  22.923 -17.724
  414   HH12  ARG  52          HH12      ARG  52   4.122  23.496 -19.213
  415   HH21  ARG  52          HH21      ARG  52   7.225  23.409 -20.936
  416   HH22  ARG  52          HH22      ARG  52   5.552  23.788 -21.073
  417    H    GLN  53           H        GLN  53   5.480  17.614 -17.243
  418    HA   GLN  53           HA       GLN  53   2.679  18.195 -17.207
  419    HB2  GLN  53           HB2      GLN  53   4.247  15.834 -18.329
  420    HB3  GLN  53           HB3      GLN  53   2.506  15.934 -18.410
  421    HG2  GLN  53           HG2      GLN  53   3.517  16.612 -20.484
  422    HG3  GLN  53           HG3      GLN  53   2.591  17.935 -19.769
  423   HE21  GLN  53          HE22      GLN  53   3.709  19.861 -19.154
  424   HE22  GLN  53          HE21      GLN  53   5.369  20.128 -19.669
  425    H    SER  54           H        SER  54   4.650  15.783 -15.425
  426    HA   SER  54           HA       SER  54   2.438  14.502 -14.133
  427    HB2  SER  54           HB2      SER  54   4.409  13.983 -12.495
  428    HB3  SER  54           HB3      SER  54   4.350  13.295 -14.125
  429    HG   SER  54           HG       SER  54   6.227  14.835 -13.043
  430    H    GLY  55           H        GLY  55   4.363  17.416 -13.374
  431    HA2  GLY  55           HA2      GLY  55   3.223  18.098 -10.872
  432    HA3  GLY  55           HA3      GLY  55   3.839  19.211 -12.120
  433    H    GLN  56           H        GLN  56   2.177  18.904 -14.225
  434    HA   GLN  56           HA       GLN  56  -0.188  20.317 -13.547
  435    HB2  GLN  56           HB2      GLN  56   0.405  18.666 -16.039
  436    HB3  GLN  56           HB3      GLN  56  -0.873  19.866 -15.883
  437    HG2  GLN  56           HG2      GLN  56   0.816  21.646 -15.544
  438    HG3  GLN  56           HG3      GLN  56   2.111  20.461 -15.637
  439   HE21  GLN  56          HE22      GLN  56  -0.551  21.886 -17.611
  440   HE22  GLN  56          HE21      GLN  56   0.261  21.636 -19.135
  441    H    ALA  57           H        ALA  57   0.224  16.845 -14.486
  442    HA   ALA  57           HA       ALA  57  -2.478  16.107 -14.174
  443    HB1  ALA  57           HB1      ALA  57  -0.796  14.671 -15.297
  444    HB2  ALA  57           HB2      ALA  57   0.012  14.404 -13.730
  445    HB3  ALA  57           HB3      ALA  57  -1.629  13.794 -14.001
  446    H    LYS  58           H        LYS  58   0.123  16.358 -11.780
  447    HA   LYS  58           HA       LYS  58  -1.234  14.927  -9.695
  448    HB2  LYS  58           HB2      LYS  58   1.154  15.322  -9.615
  449    HB3  LYS  58           HB3      LYS  58   0.948  17.069  -9.550
  450    HG2  LYS  58           HG2      LYS  58  -0.353  15.367  -7.431
  451    HG3  LYS  58           HG3      LYS  58   1.396  15.581  -7.368
  452    HD2  LYS  58           HD2      LYS  58   1.275  17.866  -6.933
  453    HD3  LYS  58           HD3      LYS  58  -0.329  18.039  -7.654
  454    HE2  LYS  58           HE2      LYS  58  -1.278  16.628  -5.820
  455    HE3  LYS  58           HE3      LYS  58   0.296  16.649  -5.014
  456    HZ1  LYS  58           HZ1      LYS  58  -1.173  19.126  -5.751
  457    HZ2  LYS  58           HZ2      LYS  58  -1.346  18.392  -4.291
  458    HZ3  LYS  58           HZ3      LYS  58   0.108  19.001  -4.737
  459    H    GLU  59           H        GLU  59  -1.326  18.385 -10.674
  460    HA   GLU  59           HA       GLU  59  -3.086  19.100  -8.490
  461    HB2  GLU  59           HB2      GLU  59  -2.366  20.485 -11.101
  462    HB3  GLU  59           HB3      GLU  59  -3.449  21.184  -9.896
  463    HG2  GLU  59           HG2      GLU  59  -0.559  20.369  -9.344
  464    HG3  GLU  59           HG3      GLU  59  -1.094  21.999  -9.725
  465    H    ILE  60           H        ILE  60  -3.654  17.962 -11.863
  466    HA   ILE  60           HA       ILE  60  -6.491  18.335 -11.833
  467    HB   ILE  60           HB       ILE  60  -4.823  16.179 -13.202
  468   HG12  ILE  60          HG12      ILE  60  -6.061  18.726 -14.338
  469   HG13  ILE  60          HG13      ILE  60  -4.363  18.548 -13.911
  470   HG21  ILE  60          HG21      ILE  60  -6.757  15.727 -14.627
  471   HG22  ILE  60          HG22      ILE  60  -7.187  15.428 -12.960
  472   HG23  ILE  60          HG23      ILE  60  -7.725  16.930 -13.738
  473   HD11  ILE  60          HD11      ILE  60  -4.448  18.222 -16.247
  474   HD12  ILE  60          HD12      ILE  60  -4.257  16.592 -15.565
  475   HD13  ILE  60          HD13      ILE  60  -5.842  17.136 -16.151
  476    H    LEU  61           H        LEU  61  -4.455  15.541 -10.743
  477    HA   LEU  61           HA       LEU  61  -6.711  14.018  -9.894
  478    HB2  LEU  61           HB2      LEU  61  -3.851  13.830  -8.872
  479    HB3  LEU  61           HB3      LEU  61  -5.141  12.646  -8.658
  480    HG   LEU  61           HG       LEU  61  -3.524  13.232 -11.115
  481   HD11  LEU  61          HD11      LEU  61  -4.481  10.656  -9.823
  482   HD12  LEU  61          HD12      LEU  61  -3.385  10.792 -11.219
  483   HD13  LEU  61          HD13      LEU  61  -2.878  11.383  -9.636
  484   HD21  LEU  61          HD21      LEU  61  -6.304  12.055 -11.177
  485   HD22  LEU  61          HD22      LEU  61  -5.707  13.449 -12.101
  486   HD23  LEU  61          HD23      LEU  61  -5.112  11.843 -12.486
  487    H    SER  62           H        SER  62  -4.736  16.443  -8.203
  488    HA   SER  62           HA       SER  62  -5.867  16.044  -5.604
  489    HB2  SER  62           HB2      SER  62  -4.758  18.601  -6.836
  490    HB3  SER  62           HB3      SER  62  -4.983  18.263  -5.112
  491    HG   SER  62           HG       SER  62  -3.249  16.905  -6.930
  492    H    GLU  63           H        GLU  63  -6.869  18.139  -8.390
  493    HA   GLU  63           HA       GLU  63  -9.085  19.333  -7.048
  494    HB2  GLU  63           HB2      GLU  63  -7.959  20.123  -9.174
  495    HB3  GLU  63           HB3      GLU  63  -8.720  18.783 -10.027
  496    HG2  GLU  63           HG2      GLU  63 -10.016  20.739 -10.440
  497    HG3  GLU  63           HG3      GLU  63 -10.971  19.699  -9.397
  498    H    MET  64           H        MET  64  -8.723  16.317  -8.935
  499    HA   MET  64           HA       MET  64 -11.490  15.507  -8.727
  500    HB2  MET  64           HB2      MET  64  -8.930  13.984  -9.367
  501    HB3  MET  64           HB3      MET  64 -10.541  13.262  -9.389
  502    HG2  MET  64           HG2      MET  64 -11.267  14.959 -11.064
  503    HG3  MET  64           HG3      MET  64  -9.633  15.613 -11.085
  504    HE1  MET  64           HE1      MET  64 -11.023  11.581 -12.869
  505    HE2  MET  64           HE2      MET  64 -11.098  11.852 -11.118
  506    HE3  MET  64           HE3      MET  64 -12.067  12.860 -12.220
  507    H    GLY  65           H        GLY  65  -9.216  15.835  -6.256
  508    HA2  GLY  65           HA2      GLY  65  -9.617  15.461  -4.048
  509    HA3  GLY  65           HA3      GLY  65 -11.020  14.464  -4.452
  510    H    TYR  66           H        TYR  66  -7.974  13.557  -5.985
  511    HA   TYR  66           HA       TYR  66  -7.813  11.062  -4.500
  512    HB2  TYR  66           HB2      TYR  66  -5.957  12.440  -6.461
  513    HB3  TYR  66           HB3      TYR  66  -5.503  10.986  -5.584
  514    HD1  TYR  66           HD1      TYR  66  -8.253  12.271  -7.834
  515    HD2  TYR  66           HD2      TYR  66  -6.045   8.858  -6.392
  516    HE1  TYR  66           HE1      TYR  66  -9.585  10.795  -9.307
  517    HE2  TYR  66           HE2      TYR  66  -7.357   7.383  -7.871
  518    HH   TYR  66           HH       TYR  66  -9.161   7.222  -9.293
  519    H    THR  67           H        THR  67  -6.908  10.754  -2.539
  520    HA   THR  67           HA       THR  67  -6.506  13.081  -0.989
  521    HB   THR  67           HB       THR  67  -6.018  11.346   0.818
  522    HG1  THR  67           HG1      THR  67  -5.224   9.615  -0.218
  523   HG21  THR  67          HG21      THR  67  -8.329  12.129   0.312
  524   HG22  THR  67          HG22      THR  67  -8.498  10.842  -0.902
  525   HG23  THR  67          HG23      THR  67  -8.289  10.430   0.813
  526    H    HIS  68           H        HIS  68  -4.125  10.977  -2.561
  527    HA   HIS  68           HA       HIS  68  -1.934  12.673  -1.540
  528    HB2  HIS  68           HB2      HIS  68  -2.313  10.845   0.125
  529    HB3  HIS  68           HB3      HIS  68  -2.075   9.651  -1.145
  530    HD1  HIS  68           HD1      HIS  68   0.200   8.591  -0.546
  531    HD2  HIS  68           HD2      HIS  68   0.138  12.793  -0.247
  532    HE1  HIS  68           HE1      HIS  68   2.576   9.308   0.070
  533    H    VAL  69           H        VAL  69  -1.146  13.343  -3.465
  534    HA   VAL  69           HA       VAL  69  -0.253  11.326  -5.378
  535    HB   VAL  69           HB       VAL  69  -1.747  13.843  -6.231
  536   HG11  VAL  69          HG11      VAL  69  -1.648  12.888  -8.491
  537   HG12  VAL  69          HG12      VAL  69  -0.021  13.074  -7.865
  538   HG13  VAL  69          HG13      VAL  69  -0.762  11.469  -7.885
  539   HG21  VAL  69          HG21      VAL  69  -2.723  10.961  -6.179
  540   HG22  VAL  69          HG22      VAL  69  -3.426  12.365  -5.346
  541   HG23  VAL  69          HG23      VAL  69  -3.500  12.257  -7.100
  542    H    GLU  70           H        GLU  70   1.676  11.908  -6.402
  543    HA   GLU  70           HA       GLU  70   2.861  14.513  -5.707
  544    HB2  GLU  70           HB2      GLU  70   3.405  12.996  -3.844
  545    HB3  GLU  70           HB3      GLU  70   4.014  11.788  -4.971
  546    HG2  GLU  70           HG2      GLU  70   5.836  12.952  -3.903
  547    HG3  GLU  70           HG3      GLU  70   5.845  13.276  -5.630
  548    H    ASN  71           H        ASN  71   4.535  15.094  -7.059
  549    HA   ASN  71           HA       ASN  71   4.703  13.706  -9.698
  550    HB2  ASN  71           HB2      ASN  71   4.187  16.080  -9.875
  551    HB3  ASN  71           HB3      ASN  71   5.482  16.490  -8.741
  552   HD21  ASN  71          HD22      ASN  71   6.378  17.926 -10.448
  553   HD22  ASN  71          HD21      ASN  71   7.250  17.219 -11.796
  554    H    ALA  72           H        ALA  72   6.324  12.261  -9.784
  555    HA   ALA  72           HA       ALA  72   8.453  12.161  -7.837
  556    HB1  ALA  72           HB1      ALA  72   7.522  10.169  -9.004
  557    HB2  ALA  72           HB2      ALA  72   8.200  10.780 -10.535
  558    HB3  ALA  72           HB3      ALA  72   9.281  10.317  -9.205
  559    H    GLY  73           H        GLY  73   8.099  13.677 -11.044
  560    HA2  GLY  73           HA2      GLY  73   9.564  15.573 -11.511
  561    HA3  GLY  73           HA3      GLY  73  10.934  14.628 -10.916
  562    H    GLY  74           H        GLY  74  11.965  14.980 -12.937
  563    HA2  GLY  74           HA2      GLY  74  10.937  14.173 -15.476
  564    HA3  GLY  74           HA3      GLY  74  12.626  14.455 -15.065
  565    H    LEU  75           H        LEU  75  11.767  12.392 -16.771
  566    HA   LEU  75           HA       LEU  75  11.314   9.905 -15.678
  567    HB2  LEU  75           HB2      LEU  75  11.767  10.925 -18.217
  568    HB3  LEU  75           HB3      LEU  75  13.132   9.842 -18.030
  569    HG   LEU  75           HG       LEU  75  10.189   9.132 -17.705
  570   HD11  LEU  75          HD11      LEU  75  12.145   8.464 -19.934
  571   HD12  LEU  75          HD12      LEU  75  10.471   7.885 -19.813
  572   HD13  LEU  75          HD13      LEU  75  10.788   9.612 -20.023
  573   HD21  LEU  75          HD21      LEU  75  11.462   7.611 -16.292
  574   HD22  LEU  75          HD22      LEU  75  10.988   6.736 -17.752
  575   HD23  LEU  75          HD23      LEU  75  12.650   7.340 -17.588
  576    H    LYS  76           H        LYS  76  14.441  11.568 -15.821
  577    HA   LYS  76           HA       LYS  76  16.059   9.269 -15.270
  578    HB2  LYS  76           HB2      LYS  76  16.793  11.463 -16.268
  579    HB3  LYS  76           HB3      LYS  76  16.599  12.217 -14.677
  580    HG2  LYS  76           HG2      LYS  76  18.338  10.742 -13.750
  581    HG3  LYS  76           HG3      LYS  76  18.450   9.874 -15.297
  582    HD2  LYS  76           HD2      LYS  76  19.216  11.960 -16.403
  583    HD3  LYS  76           HD3      LYS  76  19.091  12.827 -14.855
  584    HE2  LYS  76           HE2      LYS  76  20.762  11.278 -13.859
  585    HE3  LYS  76           HE3      LYS  76  20.883  10.413 -15.397
  586    HZ1  LYS  76           HZ1      LYS  76  22.668  12.012 -15.138
  587    HZ2  LYS  76           HZ2      LYS  76  21.738  12.452 -16.400
  588    HZ3  LYS  76           HZ3      LYS  76  21.625  13.252 -14.978
  589    H    ASP  77           H        ASP  77  14.031  11.307 -13.178
  590    HA   ASP  77           HA       ASP  77  15.687  11.056 -10.857
  591    HB2  ASP  77           HB2      ASP  77  14.063  12.901 -11.239
  592    HB3  ASP  77           HB3      ASP  77  12.733  11.764 -10.994
  593    H    ILE  78           H        ILE  78  12.688   9.301 -11.869
  594    HA   ILE  78           HA       ILE  78  12.102   8.184  -9.446
  595    HB   ILE  78           HB       ILE  78  11.620   6.684 -12.044
  596   HG12  ILE  78          HG12      ILE  78   9.326   8.086 -11.820
  597   HG13  ILE  78          HG13      ILE  78  10.403   9.282 -11.106
  598   HG21  ILE  78          HG21      ILE  78  10.985   5.544  -9.934
  599   HG22  ILE  78          HG22      ILE  78  10.021   6.953  -9.457
  600   HG23  ILE  78          HG23      ILE  78   9.555   5.982 -10.865
  601   HD11  ILE  78          HD11      ILE  78  10.563   8.026 -13.884
  602   HD12  ILE  78          HD12      ILE  78  10.224   9.720 -13.475
  603   HD13  ILE  78          HD13      ILE  78  11.830   9.071 -13.231
  604    H    ALA  79           H        ALA  79  13.109   6.840  -8.117
  605    HA   ALA  79           HA       ALA  79  15.467   5.350  -8.921
  606    HB1  ALA  79           HB1      ALA  79  15.395   6.657  -6.828
  607    HB2  ALA  79           HB2      ALA  79  14.071   5.634  -6.220
  608    HB3  ALA  79           HB3      ALA  79  15.683   4.940  -6.502
  609    H    MET  80           H        MET  80  13.651   4.203 -10.429
  610    HA   MET  80           HA       MET  80  13.066   1.573  -9.195
  611    HB2  MET  80           HB2      MET  80  11.120   3.300 -10.782
  612    HB3  MET  80           HB3      MET  80  10.895   1.571 -10.516
  613    HG2  MET  80           HG2      MET  80  10.802   1.898  -8.094
  614    HG3  MET  80           HG3      MET  80  11.136   3.619  -8.287
  615    HE1  MET  80           HE1      MET  80   8.595   1.310 -10.419
  616    HE2  MET  80           HE2      MET  80   8.491   0.741  -8.735
  617    HE3  MET  80           HE3      MET  80   7.122   1.600  -9.475
  618    HA   PRO  81           HA       PRO  81  14.719   0.012 -13.085
  619    HB2  PRO  81           HB2      PRO  81  12.326  -1.832 -13.032
  620    HB3  PRO  81           HB3      PRO  81  14.046  -2.231 -13.331
  621    HG2  PRO  81           HG2      PRO  81  12.915  -2.748 -10.921
  622    HG3  PRO  81           HG3      PRO  81  14.565  -2.050 -11.008
  623    HD2  PRO  81           HD2      PRO  81  11.948  -0.626 -10.480
  624    HD3  PRO  81           HD3      PRO  81  13.528  -0.448  -9.655
  625    H    LYS  82           H        LYS  82  14.177  -0.067 -15.383
  626    HA   LYS  82           HA       LYS  82  11.603   1.144 -16.184
  627    HB2  LYS  82           HB2      LYS  82  14.354   2.199 -16.991
  628    HB3  LYS  82           HB3      LYS  82  12.808   2.749 -17.652
  629    HG2  LYS  82           HG2      LYS  82  12.123   3.639 -15.481
  630    HG3  LYS  82           HG3      LYS  82  13.565   2.959 -14.716
  631    HD2  LYS  82           HD2      LYS  82  14.990   4.435 -16.179
  632    HD3  LYS  82           HD3      LYS  82  13.501   5.199 -16.751
  633    HE2  LYS  82           HE2      LYS  82  14.414   6.553 -14.958
  634    HE3  LYS  82           HE3      LYS  82  12.922   5.805 -14.393
  635    HZ1  LYS  82           HZ1      LYS  82  14.318   4.126 -13.236
  636    HZ2  LYS  82           HZ2      LYS  82  15.676   4.909 -13.732
  637    HZ3  LYS  82           HZ3      LYS  82  14.621   5.637 -12.712
  638    H    VAL  83           H        VAL  83  10.995   0.512 -18.295
  639    HA   VAL  83           HA       VAL  83  12.651  -1.538 -19.650
  640    HB   VAL  83           HB       VAL  83  10.429  -2.788 -19.764
  641   HG11  VAL  83          HG11      VAL  83  12.337  -3.546 -18.368
  642   HG12  VAL  83          HG12      VAL  83  11.706  -2.601 -17.003
  643   HG13  VAL  83          HG13      VAL  83  10.774  -3.963 -17.652
  644   HG21  VAL  83          HG21      VAL  83   8.762  -2.492 -18.046
  645   HG22  VAL  83          HG22      VAL  83   9.671  -1.159 -17.306
  646   HG23  VAL  83          HG23      VAL  83   8.955  -0.964 -18.914
  647    H    LYS  84           H        LYS  84  11.997  -1.875 -21.866
  648    HA   LYS  84           HA       LYS  84  11.137   0.538 -23.228
  649    HB2  LYS  84           HB2      LYS  84  11.516  -2.304 -24.275
  650    HB3  LYS  84           HB3      LYS  84  11.293  -0.854 -25.261
  651    HG2  LYS  84           HG2      LYS  84  13.399   0.102 -24.336
  652    HG3  LYS  84           HG3      LYS  84  13.658  -1.386 -23.408
  653    HD2  LYS  84           HD2      LYS  84  13.717  -2.693 -25.514
  654    HD3  LYS  84           HD3      LYS  84  13.460  -1.200 -26.446
  655    HE2  LYS  84           HE2      LYS  84  15.559  -0.256 -25.506
  656    HE3  LYS  84           HE3      LYS  84  15.816  -1.740 -24.579
  657    HZ1  LYS  84           HZ1      LYS  84  15.996  -2.942 -26.680
  658    HZ2  LYS  84           HZ2      LYS  84  15.759  -1.570 -27.538
  659    HZ3  LYS  84           HZ3      LYS  84  17.094  -1.742 -26.622
  660    H    GLY  85           H        GLY  85   9.322   0.581 -24.752
  661    HA2  GLY  85           HA2      GLY  85   6.754   0.016 -23.796
  662    HA3  GLY  85           HA3      GLY  85   7.197   0.251 -25.490
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1  -3.194   1.677  -0.887
    2    H2   ALA   1           H2       ALA   1  -2.862   0.564   0.296
    3    H3   ALA   1           H3       ALA   1  -2.092   2.023   0.272
    4    HA   ALA   1           HA       ALA   1  -0.607   0.351  -0.542
    5    HB1  ALA   1           HB1      ALA   1  -1.124  -0.908  -2.557
    6    HB2  ALA   1           HB2      ALA   1  -2.395  -1.189  -1.366
    7    HB3  ALA   1           HB3      ALA   1  -2.690  -0.087  -2.728
    8    H    GLU   2           H        GLU   2  -0.065   0.572  -3.362
    9    HA   GLU   2           HA       GLU   2  -0.085   3.433  -3.954
   10    HB2  GLU   2           HB2      GLU   2   1.922   3.071  -2.518
   11    HB3  GLU   2           HB3      GLU   2   2.486   1.809  -3.616
   12    HG2  GLU   2           HG2      GLU   2   2.792   3.450  -5.403
   13    HG3  GLU   2           HG3      GLU   2   2.124   4.729  -4.386
   14    H    HIS   3           H        HIS   3   0.139   3.849  -6.138
   15    HA   HIS   3           HA       HIS   3   1.040   1.728  -7.930
   16    HB2  HIS   3           HB2      HIS   3  -1.599   1.819  -7.794
   17    HB3  HIS   3           HB3      HIS   3  -1.424   3.286  -8.756
   18    HD1  HIS   3           HD1      HIS   3  -0.355   2.817 -11.356
   19    HD2  HIS   3           HD2      HIS   3  -1.052  -0.527  -8.876
   20    HE1  HIS   3           HE1      HIS   3  -0.122   0.774 -12.824
   21    H    TRP   4           H        TRP   4   1.376   2.749 -10.130
   22    HA   TRP   4           HA       TRP   4   2.514   5.479  -9.850
   23    HB2  TRP   4           HB2      TRP   4   3.904   3.177 -11.239
   24    HB3  TRP   4           HB3      TRP   4   4.578   4.684 -10.610
   25    HD1  TRP   4           HD1      TRP   4   5.236   4.757  -8.046
   26    HE1  TRP   4           HE1      TRP   4   5.275   3.074  -6.118
   27    HE3  TRP   4           HE3      TRP   4   2.971   0.815 -10.393
   28    HZ2  TRP   4           HZ2      TRP   4   4.546   0.306  -5.694
   29    HZ3  TRP   4           HZ3      TRP   4   2.621  -1.322  -9.191
   30    HH2  TRP   4           HH2      TRP   4   3.398  -1.589  -6.843
   31    H    ILE   5           H        ILE   5   2.292   6.706 -11.734
   32    HA   ILE   5           HA       ILE   5   1.034   5.400 -14.103
   33    HB   ILE   5           HB       ILE   5   0.262   8.133 -13.084
   34   HG12  ILE   5          HG12      ILE   5  -0.367   6.611 -11.229
   35   HG13  ILE   5          HG13      ILE   5  -1.706   7.434 -11.994
   36   HG21  ILE   5          HG21      ILE   5  -1.740   7.775 -14.473
   37   HG22  ILE   5          HG22      ILE   5  -0.246   7.628 -15.408
   38   HG23  ILE   5          HG23      ILE   5  -1.120   6.171 -14.941
   39   HD11  ILE   5          HD11      ILE   5  -0.988   4.546 -12.619
   40   HD12  ILE   5          HD12      ILE   5  -2.176   5.053 -11.404
   41   HD13  ILE   5          HD13      ILE   5  -2.448   5.428 -13.111
   42    H    ASP   6           H        ASP   6   1.850   6.143 -16.012
   43    HA   ASP   6           HA       ASP   6   3.962   8.266 -15.984
   44    HB2  ASP   6           HB2      ASP   6   4.710   6.177 -17.046
   45    HB3  ASP   6           HB3      ASP   6   3.211   6.107 -18.006
   46    H    VAL   7           H        VAL   7   3.314  10.209 -16.996
   47    HA   VAL   7           HA       VAL   7   0.618  10.145 -18.276
   48    HB   VAL   7           HB       VAL   7  -0.082  12.084 -17.019
   49   HG11  VAL   7          HG11      VAL   7  -0.341  11.112 -14.826
   50   HG12  VAL   7          HG12      VAL   7  -0.486   9.843 -16.043
   51   HG13  VAL   7          HG13      VAL   7   1.006   9.989 -15.090
   52   HG21  VAL   7          HG21      VAL   7   2.087  13.218 -16.624
   53   HG22  VAL   7          HG22      VAL   7   1.257  12.886 -15.095
   54   HG23  VAL   7          HG23      VAL   7   2.619  11.873 -15.586
   55    H    ARG   8           H        ARG   8   3.008  10.157 -19.818
   56    HA   ARG   8           HA       ARG   8   2.642  12.814 -21.136
   57    HB2  ARG   8           HB2      ARG   8   4.960  12.097 -19.849
   58    HB3  ARG   8           HB3      ARG   8   5.271  11.462 -21.460
   59    HG2  ARG   8           HG2      ARG   8   4.606  13.778 -22.368
   60    HG3  ARG   8           HG3      ARG   8   4.574  14.341 -20.697
   61    HD2  ARG   8           HD2      ARG   8   6.924  13.926 -20.433
   62    HD3  ARG   8           HD3      ARG   8   7.009  13.004 -21.938
   63    HE   ARG   8           HE       ARG   8   6.436  15.941 -21.728
   64   HH11  ARG   8          HH21      ARG   8   7.897  13.267 -23.608
   65   HH12  ARG   8          HH22      ARG   8   8.388  14.296 -24.919
   66   HH21  ARG   8          HH11      ARG   8   7.175  17.265 -23.427
   67   HH22  ARG   8          HH12      ARG   8   8.008  16.587 -24.781
   68    H    VAL   9           H        VAL   9   3.881  12.575 -23.422
   69    HA   VAL   9           HA       VAL   9   2.195  10.805 -24.948
   70    HB   VAL   9           HB       VAL   9   3.530  11.813 -26.873
   71   HG11  VAL   9          HG11      VAL   9   2.193  13.771 -24.956
   72   HG12  VAL   9          HG12      VAL   9   2.462  14.008 -26.695
   73   HG13  VAL   9          HG13      VAL   9   1.370  12.731 -26.139
   74   HG21  VAL   9          HG21      VAL   9   5.600  12.366 -25.472
   75   HG22  VAL   9          HG22      VAL   9   5.009  13.646 -26.541
   76   HG23  VAL   9          HG23      VAL   9   4.685  13.731 -24.806
   77    HA   PRO  10           HA       PRO  10   4.774   7.274 -25.563
   78    HB2  PRO  10           HB2      PRO  10   4.535   7.782 -28.533
   79    HB3  PRO  10           HB3      PRO  10   4.344   6.242 -27.635
   80    HG2  PRO  10           HG2      PRO  10   2.156   7.624 -28.408
   81    HG3  PRO  10           HG3      PRO  10   2.233   6.938 -26.750
   82    HD2  PRO  10           HD2      PRO  10   2.753   9.781 -27.634
   83    HD3  PRO  10           HD3      PRO  10   1.813   9.178 -26.235
   84    H    GLU  11           H        GLU  11   5.870  10.294 -26.980
   85    HA   GLU  11           HA       GLU  11   8.224   9.663 -28.246
   86    HB2  GLU  11           HB2      GLU  11   7.176  11.911 -28.034
   87    HB3  GLU  11           HB3      GLU  11   7.641  11.963 -26.330
   88    HG2  GLU  11           HG2      GLU  11  10.042  11.929 -26.992
   89    HG3  GLU  11           HG3      GLU  11   9.553  11.917 -28.691
   90    H    GLN  12           H        GLN  12   7.682   9.773 -24.724
   91    HA   GLN  12           HA       GLN  12  10.525   9.130 -24.176
   92    HB2  GLN  12           HB2      GLN  12   9.741   8.924 -21.801
   93    HB3  GLN  12           HB3      GLN  12   9.668  10.531 -22.507
   94    HG2  GLN  12           HG2      GLN  12   7.319  10.553 -22.610
   95    HG3  GLN  12           HG3      GLN  12   7.168   8.808 -22.492
   96   HE21  GLN  12          HE22      GLN  12   7.662   7.736 -20.408
   97   HE22  GLN  12          HE21      GLN  12   7.021   8.619 -19.056
   98    H    TYR  13           H        TYR  13   7.303   7.576 -24.083
   99    HA   TYR  13           HA       TYR  13   7.992   5.231 -22.775
  100    HB2  TYR  13           HB2      TYR  13   5.709   6.304 -23.501
  101    HB3  TYR  13           HB3      TYR  13   5.908   5.379 -24.976
  102    HD1  TYR  13           HD1      TYR  13   5.343   5.240 -21.318
  103    HD2  TYR  13           HD2      TYR  13   5.505   2.958 -24.977
  104    HE1  TYR  13           HE1      TYR  13   4.225   3.344 -20.183
  105    HE2  TYR  13           HE2      TYR  13   4.364   1.073 -23.861
  106    HH   TYR  13           HH       TYR  13   3.396   0.291 -21.885
  107    H    GLN  14           H        GLN  14   8.235   6.020 -26.226
  108    HA   GLN  14           HA       GLN  14   8.908   3.399 -27.145
  109    HB2  GLN  14           HB2      GLN  14   9.256   6.214 -28.281
  110    HB3  GLN  14           HB3      GLN  14   9.704   4.764 -29.186
  111    HG2  GLN  14           HG2      GLN  14   6.910   5.503 -28.246
  112    HG3  GLN  14           HG3      GLN  14   7.506   5.475 -29.895
  113   HE21  GLN  14          HE22      GLN  14   6.016   3.622 -27.400
  114   HE22  GLN  14          HE21      GLN  14   6.331   2.004 -27.989
  115    H    GLN  15           H        GLN  15  10.830   5.346 -25.148
  116    HA   GLN  15           HA       GLN  15  13.227   3.864 -26.066
  117    HB2  GLN  15           HB2      GLN  15  14.610   5.885 -25.597
  118    HB3  GLN  15           HB3      GLN  15  13.545   6.016 -26.996
  119    HG2  GLN  15           HG2      GLN  15  11.936   7.346 -25.670
  120    HG3  GLN  15           HG3      GLN  15  13.019   7.282 -24.273
  121   HE21  GLN  15          HE22      GLN  15  11.960   9.345 -26.550
  122   HE22  GLN  15          HE21      GLN  15  13.408  10.297 -26.829
  123    H    GLU  16           H        GLU  16  11.505   5.386 -23.280
  124    HA   GLU  16           HA       GLU  16  12.275   3.097 -21.781
  125    HB2  GLU  16           HB2      GLU  16  13.397   4.112 -19.895
  126    HB3  GLU  16           HB3      GLU  16  14.355   4.335 -21.338
  127    HG2  GLU  16           HG2      GLU  16  13.446   6.709 -21.505
  128    HG3  GLU  16           HG3      GLU  16  12.634   6.427 -19.959
  129    H    HIS  17           H        HIS  17  10.700   2.694 -20.268
  130    HA   HIS  17           HA       HIS  17   9.285   4.953 -19.057
  131    HB2  HIS  17           HB2      HIS  17   7.104   4.045 -19.318
  132    HB3  HIS  17           HB3      HIS  17   7.798   4.184 -20.921
  133    HD1  HIS  17           HD1      HIS  17   6.837   1.467 -18.335
  134    HD2  HIS  17           HD2      HIS  17   7.962   1.965 -22.369
  135    HE1  HIS  17           HE1      HIS  17   6.330  -0.737 -19.505
  136    H    VAL  18           H        VAL  18   8.577   4.391 -16.952
  137    HA   VAL  18           HA       VAL  18  10.165   2.442 -15.572
  138    HB   VAL  18           HB       VAL  18   7.801   4.211 -14.891
  139   HG11  VAL  18          HG11      VAL  18   7.531   2.311 -13.381
  140   HG12  VAL  18          HG12      VAL  18   9.285   2.231 -13.075
  141   HG13  VAL  18          HG13      VAL  18   8.321   3.590 -12.460
  142   HG21  VAL  18          HG21      VAL  18  10.707   4.239 -13.968
  143   HG22  VAL  18          HG22      VAL  18  10.016   5.280 -15.231
  144   HG23  VAL  18          HG23      VAL  18   9.439   5.427 -13.575
  145    H    GLN  19           H        GLN  19   9.761   0.333 -15.142
  146    HA   GLN  19           HA       GLN  19   8.036  -0.994 -16.930
  147    HB2  GLN  19           HB2      GLN  19  10.179  -1.841 -15.982
  148    HB3  GLN  19           HB3      GLN  19   9.397  -2.107 -14.429
  149    HG2  GLN  19           HG2      GLN  19   8.157  -3.401 -16.865
  150    HG3  GLN  19           HG3      GLN  19   9.715  -4.006 -16.331
  151   HE21  GLN  19          HE22      GLN  19   6.328  -3.477 -15.193
  152   HE22  GLN  19          HE21      GLN  19   6.393  -4.742 -13.980
  153    H    GLY  20           H        GLY  20   7.567  -0.127 -13.534
  154    HA2  GLY  20           HA2      GLY  20   5.090  -1.636 -13.241
  155    HA3  GLY  20           HA3      GLY  20   5.802  -0.501 -12.087
  156    H    ALA  21           H        ALA  21   5.699   1.180 -14.986
  157    HA   ALA  21           HA       ALA  21   3.434   2.806 -14.053
  158    HB1  ALA  21           HB1      ALA  21   4.979   3.082 -16.673
  159    HB2  ALA  21           HB2      ALA  21   4.079   4.329 -15.785
  160    HB3  ALA  21           HB3      ALA  21   5.607   3.713 -15.145
  161    H    ILE  22           H        ILE  22   1.864   3.528 -15.553
  162    HA   ILE  22           HA       ILE  22   1.122   1.801 -17.793
  163    HB   ILE  22           HB       ILE  22  -1.266   2.046 -17.112
  164   HG12  ILE  22          HG12      ILE  22  -0.205   2.704 -14.331
  165   HG13  ILE  22          HG13      ILE  22  -1.085   3.805 -15.392
  166   HG21  ILE  22          HG21      ILE  22  -1.285   0.019 -15.783
  167   HG22  ILE  22          HG22      ILE  22   0.070  -0.064 -16.903
  168   HG23  ILE  22          HG23      ILE  22   0.364   0.332 -15.198
  169   HD11  ILE  22          HD11      ILE  22  -3.053   2.245 -15.325
  170   HD12  ILE  22          HD12      ILE  22  -2.190   1.281 -14.105
  171   HD13  ILE  22          HD13      ILE  22  -2.622   2.956 -13.757
  172    H    ASN  23           H        ASN  23   0.630   3.120 -19.521
  173    HA   ASN  23           HA       ASN  23   1.313   5.946 -19.142
  174    HB2  ASN  23           HB2      ASN  23   2.321   4.785 -21.008
  175    HB3  ASN  23           HB3      ASN  23   0.735   4.312 -21.638
  176   HD21  ASN  23          HD22      ASN  23   2.721   7.284 -20.797
  177   HD22  ASN  23          HD21      ASN  23   1.952   8.283 -21.998
  178    H    ILE  24           H        ILE  24  -0.165   7.338 -18.590
  179    HA   ILE  24           HA       ILE  24  -2.856   7.316 -19.847
  180    HB   ILE  24           HB       ILE  24  -2.400   7.870 -16.890
  181   HG12  ILE  24          HG12      ILE  24  -3.461   5.341 -18.214
  182   HG13  ILE  24          HG13      ILE  24  -2.040   5.487 -17.183
  183   HG21  ILE  24          HG21      ILE  24  -4.278   9.049 -18.094
  184   HG22  ILE  24          HG22      ILE  24  -4.914   7.458 -18.540
  185   HG23  ILE  24          HG23      ILE  24  -4.845   7.963 -16.829
  186   HD11  ILE  24          HD11      ILE  24  -3.759   4.496 -15.874
  187   HD12  ILE  24          HD12      ILE  24  -3.580   6.159 -15.282
  188   HD13  ILE  24          HD13      ILE  24  -4.947   5.719 -16.334
  189    HA   PRO  25           HA       PRO  25  -0.229  11.038 -20.588
  190    HB2  PRO  25           HB2      PRO  25  -2.420  11.465 -22.620
  191    HB3  PRO  25           HB3      PRO  25  -0.656  11.740 -22.789
  192    HG2  PRO  25           HG2      PRO  25  -1.787   9.505 -23.818
  193    HG3  PRO  25           HG3      PRO  25  -0.234   9.387 -22.928
  194    HD2  PRO  25           HD2      PRO  25  -3.025   8.800 -21.926
  195    HD3  PRO  25           HD3      PRO  25  -1.524   7.856 -21.693
  196    H    LEU  26           H        LEU  26  -0.432  13.226 -20.091
  197    HA   LEU  26           HA       LEU  26  -2.058  14.207 -18.206
  198    HB2  LEU  26           HB2      LEU  26  -0.025  15.241 -19.137
  199    HB3  LEU  26           HB3      LEU  26  -0.884  15.719 -20.585
  200    HG   LEU  26           HG       LEU  26  -0.389  17.536 -19.019
  201   HD11  LEU  26          HD11      LEU  26  -2.358  18.775 -19.161
  202   HD12  LEU  26          HD12      LEU  26  -2.351  17.715 -20.578
  203   HD13  LEU  26          HD13      LEU  26  -3.400  17.353 -19.181
  204   HD21  LEU  26          HD21      LEU  26  -2.325  16.167 -17.119
  205   HD22  LEU  26          HD22      LEU  26  -0.580  16.442 -16.892
  206   HD23  LEU  26          HD23      LEU  26  -1.697  17.812 -16.939
  207    H    LYS  27           H        LYS  27  -2.845  14.407 -21.714
  208    HA   LYS  27           HA       LYS  27  -5.172  16.006 -21.348
  209    HB2  LYS  27           HB2      LYS  27  -4.488  14.128 -23.656
  210    HB3  LYS  27           HB3      LYS  27  -5.732  15.382 -23.670
  211    HG2  LYS  27           HG2      LYS  27  -3.886  17.070 -23.133
  212    HG3  LYS  27           HG3      LYS  27  -2.722  15.792 -23.495
  213    HD2  LYS  27           HD2      LYS  27  -4.844  16.914 -25.377
  214    HD3  LYS  27           HD3      LYS  27  -3.133  17.306 -25.433
  215    HE2  LYS  27           HE2      LYS  27  -4.279  14.507 -25.882
  216    HE3  LYS  27           HE3      LYS  27  -3.931  15.660 -27.167
  217    HZ1  LYS  27           HZ1      LYS  27  -1.603  15.626 -26.518
  218    HZ2  LYS  27           HZ2      LYS  27  -1.896  14.534 -25.333
  219    HZ3  LYS  27           HZ3      LYS  27  -2.115  14.129 -26.896
  220    H    GLU  28           H        GLU  28  -4.760  12.652 -20.644
  221    HA   GLU  28           HA       GLU  28  -7.687  12.109 -20.954
  222    HB2  GLU  28           HB2      GLU  28  -5.390  10.131 -21.076
  223    HB3  GLU  28           HB3      GLU  28  -7.106   9.846 -21.426
  224    HG2  GLU  28           HG2      GLU  28  -6.909  11.437 -23.364
  225    HG3  GLU  28           HG3      GLU  28  -5.163  11.500 -23.084
  226    H    VAL  29           H        VAL  29  -4.939  12.076 -18.760
  227    HA   VAL  29           HA       VAL  29  -5.709  10.304 -16.842
  228    HB   VAL  29           HB       VAL  29  -3.626  11.895 -17.054
  229   HG11  VAL  29          HG11      VAL  29  -5.165  13.531 -15.009
  230   HG12  VAL  29          HG12      VAL  29  -3.524  13.792 -15.625
  231   HG13  VAL  29          HG13      VAL  29  -4.908  14.029 -16.695
  232   HG21  VAL  29          HG21      VAL  29  -3.791  10.071 -15.449
  233   HG22  VAL  29          HG22      VAL  29  -3.036  11.490 -14.715
  234   HG23  VAL  29          HG23      VAL  29  -4.728  11.096 -14.340
  235    H    LYS  30           H        LYS  30  -7.254  13.427 -17.456
  236    HA   LYS  30           HA       LYS  30  -8.663  13.611 -15.015
  237    HB2  LYS  30           HB2      LYS  30  -8.206  15.402 -16.813
  238    HB3  LYS  30           HB3      LYS  30  -9.634  14.787 -17.651
  239    HG2  LYS  30           HG2      LYS  30 -11.077  15.415 -15.813
  240    HG3  LYS  30           HG3      LYS  30  -9.705  15.606 -14.719
  241    HD2  LYS  30           HD2      LYS  30  -8.934  17.544 -16.203
  242    HD3  LYS  30           HD3      LYS  30 -10.513  17.430 -17.015
  243    HE2  LYS  30           HE2      LYS  30 -11.655  17.760 -14.828
  244    HE3  LYS  30           HE3      LYS  30 -10.093  17.773 -14.005
  245    HZ1  LYS  30           HZ1      LYS  30 -11.124  19.832 -15.848
  246    HZ2  LYS  30           HZ2      LYS  30 -10.738  19.986 -14.253
  247    HZ3  LYS  30           HZ3      LYS  30  -9.560  19.785 -15.360
  248    H    GLU  31           H        GLU  31  -9.154  11.273 -17.433
  249    HA   GLU  31           HA       GLU  31 -11.838  10.659 -16.244
  250    HB2  GLU  31           HB2      GLU  31 -10.999  10.363 -19.159
  251    HB3  GLU  31           HB3      GLU  31 -12.462   9.674 -18.444
  252    HG2  GLU  31           HG2      GLU  31 -13.224  11.972 -17.825
  253    HG3  GLU  31           HG3      GLU  31 -11.803  12.647 -18.628
  254    H    ARG  32           H        ARG  32  -8.969   9.355 -18.008
  255    HA   ARG  32           HA       ARG  32  -9.627   6.631 -17.573
  256    HB2  ARG  32           HB2      ARG  32  -7.019   8.069 -18.130
  257    HB3  ARG  32           HB3      ARG  32  -7.142   6.300 -18.079
  258    HG2  ARG  32           HG2      ARG  32  -8.803   6.372 -19.939
  259    HG3  ARG  32           HG3      ARG  32  -8.670   8.136 -19.983
  260    HD2  ARG  32           HD2      ARG  32  -7.286   7.216 -21.743
  261    HD3  ARG  32           HD3      ARG  32  -6.248   7.944 -20.500
  262    HE   ARG  32           HE       ARG  32  -6.676   5.124 -20.035
  263   HH11  ARG  32          HH11      ARG  32  -4.863   7.232 -22.279
  264   HH12  ARG  32          HH12      ARG  32  -3.448   6.226 -22.235
  265   HH21  ARG  32          HH21      ARG  32  -4.772   3.806 -20.050
  266   HH22  ARG  32          HH22      ARG  32  -3.329   4.406 -20.797
  267    H    ILE  33           H        ILE  33  -8.113   8.900 -15.312
  268    HA   ILE  33           HA       ILE  33  -6.791   6.987 -13.710
  269    HB   ILE  33           HB       ILE  33  -6.571   9.483 -13.580
  270   HG12  ILE  33          HG12      ILE  33  -6.351   9.576 -11.067
  271   HG13  ILE  33          HG13      ILE  33  -7.045   7.967 -10.989
  272   HG21  ILE  33          HG21      ILE  33  -8.163  10.816 -12.350
  273   HG22  ILE  33          HG22      ILE  33  -9.063   9.954 -13.578
  274   HG23  ILE  33          HG23      ILE  33  -9.111   9.406 -11.890
  275   HD11  ILE  33          HD11      ILE  33  -5.157   7.059 -12.299
  276   HD12  ILE  33          HD12      ILE  33  -4.492   8.700 -12.485
  277   HD13  ILE  33          HD13      ILE  33  -4.582   7.940 -10.883
  278    H    ALA  34           H        ALA  34 -10.280   7.770 -13.952
  279    HA   ALA  34           HA       ALA  34 -11.012   6.771 -11.396
  280    HB1  ALA  34           HB1      ALA  34 -13.295   6.694 -12.335
  281    HB2  ALA  34           HB2      ALA  34 -12.478   8.205 -12.778
  282    HB3  ALA  34           HB3      ALA  34 -12.647   6.898 -13.975
  283    H    THR  35           H        THR  35 -10.737   5.147 -14.599
  284    HA   THR  35           HA       THR  35 -11.543   2.563 -13.600
  285    HB   THR  35           HB       THR  35 -10.283   1.992 -15.913
  286    HG1  THR  35           HG1      THR  35  -9.475   4.147 -16.212
  287   HG21  THR  35          HG21      THR  35 -12.401   2.498 -17.088
  288   HG22  THR  35          HG22      THR  35 -12.700   1.755 -15.510
  289   HG23  THR  35          HG23      THR  35 -12.927   3.506 -15.719
  290    H    ALA  36           H        ALA  36  -8.402   4.267 -13.946
  291    HA   ALA  36           HA       ALA  36  -6.811   1.914 -13.537
  292    HB1  ALA  36           HB1      ALA  36  -5.975   3.950 -14.653
  293    HB2  ALA  36           HB2      ALA  36  -6.116   4.855 -13.127
  294    HB3  ALA  36           HB3      ALA  36  -4.966   3.513 -13.259
  295    H    VAL  37           H        VAL  37  -7.942   4.504 -11.307
  296    HA   VAL  37           HA       VAL  37  -7.277   2.842  -8.961
  297    HB   VAL  37           HB       VAL  37  -6.446   5.702  -8.997
  298   HG11  VAL  37          HG11      VAL  37  -5.085   4.959  -7.089
  299   HG12  VAL  37          HG12      VAL  37  -6.775   4.529  -6.839
  300   HG13  VAL  37          HG13      VAL  37  -5.610   3.285  -7.338
  301   HG21  VAL  37          HG21      VAL  37  -4.647   3.355  -9.728
  302   HG22  VAL  37          HG22      VAL  37  -5.057   4.742 -10.770
  303   HG23  VAL  37          HG23      VAL  37  -4.094   4.989  -9.324
  304    HA   PRO  38           HA       PRO  38 -11.419   4.837  -8.811
  305    HB2  PRO  38           HB2      PRO  38 -12.826   2.795  -7.631
  306    HB3  PRO  38           HB3      PRO  38 -12.455   2.866  -9.380
  307    HG2  PRO  38           HG2      PRO  38 -10.967   1.345  -7.222
  308    HG3  PRO  38           HG3      PRO  38 -11.501   0.755  -8.828
  309    HD2  PRO  38           HD2      PRO  38  -8.956   1.616  -8.373
  310    HD3  PRO  38           HD3      PRO  38  -9.775   1.924  -9.934
  311    H    ASP  39           H        ASP  39  -9.561   3.233  -6.205
  312    HA   ASP  39           HA       ASP  39 -10.920   4.769  -4.080
  313    HB2  ASP  39           HB2      ASP  39 -10.091   2.562  -3.497
  314    HB3  ASP  39           HB3      ASP  39  -8.462   2.981  -4.036
  315    H    LYS  40           H        LYS  40 -10.671   6.883  -4.552
  316    HA   LYS  40           HA       LYS  40  -8.298   7.960  -5.643
  317    HB2  LYS  40           HB2      LYS  40 -10.414   9.536  -4.166
  318    HB3  LYS  40           HB3      LYS  40  -9.332  10.066  -5.475
  319    HG2  LYS  40           HG2      LYS  40 -10.509   8.420  -6.998
  320    HG3  LYS  40           HG3      LYS  40 -11.713   8.204  -5.726
  321    HD2  LYS  40           HD2      LYS  40 -11.034  10.843  -7.096
  322    HD3  LYS  40           HD3      LYS  40 -12.436   9.819  -7.437
  323    HE2  LYS  40           HE2      LYS  40 -13.169  10.114  -5.041
  324    HE3  LYS  40           HE3      LYS  40 -11.826  11.243  -4.806
  325    HZ1  LYS  40           HZ1      LYS  40 -14.063  11.609  -6.715
  326    HZ2  LYS  40           HZ2      LYS  40 -13.861  12.416  -5.315
  327    HZ3  LYS  40           HZ3      LYS  40 -12.805  12.648  -6.546
  328    H    ASN  41           H        ASN  41  -8.678   6.904  -2.467
  329    HA   ASN  41           HA       ASN  41  -6.803   8.931  -1.361
  330    HB2  ASN  41           HB2      ASN  41  -9.016   7.996  -0.201
  331    HB3  ASN  41           HB3      ASN  41  -7.964   6.654   0.239
  332   HD21  ASN  41          HD22      ASN  41  -5.570   7.810   0.991
  333   HD22  ASN  41          HD21      ASN  41  -5.837   8.953   2.298
  334    H    ASP  42           H        ASP  42  -6.682   5.993  -3.079
  335    HA   ASP  42           HA       ASP  42  -4.516   4.711  -1.637
  336    HB2  ASP  42           HB2      ASP  42  -6.072   3.609  -3.329
  337    HB3  ASP  42           HB3      ASP  42  -5.194   4.484  -4.593
  338    H    THR  43           H        THR  43  -2.192   4.745  -2.330
  339    HA   THR  43           HA       THR  43  -1.421   7.456  -2.917
  340    HB   THR  43           HB       THR  43   0.449   5.080  -2.844
  341    HG1  THR  43           HG1      THR  43  -0.494   4.781  -1.010
  342   HG21  THR  43          HG21      THR  43   1.985   6.751  -1.839
  343   HG22  THR  43          HG22      THR  43   1.495   7.191  -3.481
  344   HG23  THR  43          HG23      THR  43   0.761   8.017  -2.093
  345    H    VAL  44           H        VAL  44  -0.906   8.372  -4.859
  346    HA   VAL  44           HA       VAL  44  -0.555   6.602  -7.245
  347    HB   VAL  44           HB       VAL  44  -2.475   8.919  -6.873
  348   HG11  VAL  44          HG11      VAL  44  -1.742   7.513  -9.485
  349   HG12  VAL  44          HG12      VAL  44  -3.049   8.698  -9.271
  350   HG13  VAL  44          HG13      VAL  44  -1.379   9.210  -9.090
  351   HG21  VAL  44          HG21      VAL  44  -3.402   6.781  -6.201
  352   HG22  VAL  44          HG22      VAL  44  -4.133   7.264  -7.730
  353   HG23  VAL  44          HG23      VAL  44  -2.854   6.023  -7.702
  354    H    LYS  45           H        LYS  45   1.557   6.824  -7.433
  355    HA   LYS  45           HA       LYS  45   2.853   9.476  -7.326
  356    HB2  LYS  45           HB2      LYS  45   3.772   6.634  -7.885
  357    HB3  LYS  45           HB3      LYS  45   4.815   8.024  -8.224
  358    HG2  LYS  45           HG2      LYS  45   4.833   8.732  -5.935
  359    HG3  LYS  45           HG3      LYS  45   3.547   7.596  -5.485
  360    HD2  LYS  45           HD2      LYS  45   4.954   5.696  -5.854
  361    HD3  LYS  45           HD3      LYS  45   6.261   6.698  -6.536
  362    HE2  LYS  45           HE2      LYS  45   6.608   7.799  -4.378
  363    HE3  LYS  45           HE3      LYS  45   5.203   6.970  -3.692
  364    HZ1  LYS  45           HZ1      LYS  45   7.221   5.863  -3.042
  365    HZ2  LYS  45           HZ2      LYS  45   6.336   4.870  -4.002
  366    HZ3  LYS  45           HZ3      LYS  45   7.681   5.623  -4.593
  367    H    VAL  46           H        VAL  46   3.073  10.749  -9.083
  368    HA   VAL  46           HA       VAL  46   2.701   9.546 -11.793
  369    HB   VAL  46           HB       VAL  46   1.713  11.644 -12.534
  370   HG11  VAL  46          HG11      VAL  46   0.192  10.600 -10.109
  371   HG12  VAL  46          HG12      VAL  46  -0.482  11.366 -11.560
  372   HG13  VAL  46          HG13      VAL  46   0.270   9.770 -11.670
  373   HG21  VAL  46          HG21      VAL  46   0.887  13.352 -11.001
  374   HG22  VAL  46          HG22      VAL  46   1.597  12.521  -9.611
  375   HG23  VAL  46          HG23      VAL  46   2.640  13.247 -10.850
  376    H    TYR  47           H        TYR  47   4.165  10.159 -13.401
  377    HA   TYR  47           HA       TYR  47   6.145  12.218 -12.927
  378    HB2  TYR  47           HB2      TYR  47   8.013  10.521 -13.542
  379    HB3  TYR  47           HB3      TYR  47   7.439  10.608 -11.903
  380    HD1  TYR  47           HD1      TYR  47   6.805   8.645 -15.081
  381    HD2  TYR  47           HD2      TYR  47   6.778   8.686 -10.763
  382    HE1  TYR  47           HE1      TYR  47   6.228   6.238 -15.054
  383    HE2  TYR  47           HE2      TYR  47   6.273   6.278 -10.729
  384    HH   TYR  47           HH       TYR  47   5.899   4.370 -12.010
  385    H    CYS  48           H        CYS  48   7.381  12.636 -14.903
  386    HA   CYS  48           HA       CYS  48   6.595  11.405 -17.419
  387    HB2  CYS  48           HB2      CYS  48   5.759  13.462 -18.435
  388    HB3  CYS  48           HB3      CYS  48   4.785  13.151 -16.991
  389    HG   CYS  48           HG       CYS  48   6.259  14.680 -15.434
  390    H    ASN  49           H        ASN  49   8.003  12.393 -19.163
  391    HA   ASN  49           HA       ASN  49  10.633  12.486 -18.683
  392    HB2  ASN  49           HB2      ASN  49   9.511  12.461 -20.920
  393    HB3  ASN  49           HB3      ASN  49   9.294  14.209 -20.790
  394   HD21  ASN  49          HD22      ASN  49  10.867  15.319 -21.967
  395   HD22  ASN  49          HD21      ASN  49  12.514  14.787 -22.151
  396    H    ALA  50           H        ALA  50   8.606  15.297 -17.969
  397    HA   ALA  50           HA       ALA  50  11.059  16.961 -17.566
  398    HB1  ALA  50           HB1      ALA  50   9.716  17.593 -19.543
  399    HB2  ALA  50           HB2      ALA  50   8.291  17.821 -18.500
  400    HB3  ALA  50           HB3      ALA  50   9.717  18.864 -18.310
  401    H    GLY  51           H        GLY  51   8.698  15.437 -15.708
  402    HA2  GLY  51           HA2      GLY  51   8.097  15.658 -13.531
  403    HA3  GLY  51           HA3      GLY  51   9.115  17.098 -13.394
  404    H    ARG  52           H        ARG  52   8.004  18.836 -15.234
  405    HA   ARG  52           HA       ARG  52   6.001  19.928 -13.724
  406    HB2  ARG  52           HB2      ARG  52   7.330  21.283 -15.281
  407    HB3  ARG  52           HB3      ARG  52   6.664  20.420 -16.668
  408    HG2  ARG  52           HG2      ARG  52   5.598  22.594 -16.523
  409    HG3  ARG  52           HG3      ARG  52   4.400  21.352 -16.184
  410    HD2  ARG  52           HD2      ARG  52   5.005  21.801 -13.645
  411    HD3  ARG  52           HD3      ARG  52   5.813  23.234 -14.243
  412    HE   ARG  52           HE       ARG  52   3.741  24.171 -14.894
  413   HH11  ARG  52          HH21      ARG  52   3.157  20.966 -13.409
  414   HH12  ARG  52          HH22      ARG  52   1.658  21.522 -12.647
  415   HH21  ARG  52          HH11      ARG  52   1.628  24.694 -13.951
  416   HH22  ARG  52          HH12      ARG  52   0.825  23.451 -13.008
  417    H    GLN  53           H        GLN  53   5.515  18.014 -16.721
  418    HA   GLN  53           HA       GLN  53   2.686  18.565 -16.802
  419    HB2  GLN  53           HB2      GLN  53   4.232  16.335 -18.158
  420    HB3  GLN  53           HB3      GLN  53   2.593  16.882 -18.535
  421    HG2  GLN  53           HG2      GLN  53   3.486  19.108 -19.180
  422    HG3  GLN  53           HG3      GLN  53   5.127  18.558 -18.830
  423   HE21  GLN  53          HE21      GLN  53   2.317  18.037 -21.001
  424   HE22  GLN  53          HE22      GLN  53   3.241  17.293 -22.281
  425    H    SER  54           H        SER  54   4.623  15.942 -15.248
  426    HA   SER  54           HA       SER  54   2.257  14.571 -14.340
  427    HB2  SER  54           HB2      SER  54   4.011  13.808 -12.516
  428    HB3  SER  54           HB3      SER  54   4.010  13.187 -14.163
  429    HG   SER  54           HG       SER  54   5.653  15.337 -13.263
  430    H    GLY  55           H        GLY  55   4.128  17.348 -13.093
  431    HA2  GLY  55           HA2      GLY  55   2.714  17.784 -10.686
  432    HA3  GLY  55           HA3      GLY  55   3.412  19.028 -11.748
  433    H    GLN  56           H        GLN  56   1.905  18.792 -14.085
  434    HA   GLN  56           HA       GLN  56  -0.559  20.083 -13.436
  435    HB2  GLN  56           HB2      GLN  56   0.197  18.636 -15.996
  436    HB3  GLN  56           HB3      GLN  56  -1.173  19.730 -15.788
  437    HG2  GLN  56           HG2      GLN  56   0.409  21.565 -15.283
  438    HG3  GLN  56           HG3      GLN  56   1.755  20.459 -15.623
  439   HE21  GLN  56          HE22      GLN  56  -0.372  22.744 -17.053
  440   HE22  GLN  56          HE21      GLN  56  -0.060  22.334 -18.720
  441    H    ALA  57           H        ALA  57   0.133  16.664 -14.417
  442    HA   ALA  57           HA       ALA  57  -2.560  15.797 -14.316
  443    HB1  ALA  57           HB1      ALA  57  -1.643  13.538 -14.001
  444    HB2  ALA  57           HB2      ALA  57  -0.719  14.416 -15.238
  445    HB3  ALA  57           HB3      ALA  57  -0.059  14.211 -13.594
  446    H    LYS  58           H        LYS  58  -0.162  16.262 -11.737
  447    HA   LYS  58           HA       LYS  58  -1.794  15.002  -9.701
  448    HB2  LYS  58           HB2      LYS  58   0.765  15.530  -9.643
  449    HB3  LYS  58           HB3      LYS  58   0.292  17.137  -9.109
  450    HG2  LYS  58           HG2      LYS  58  -1.186  15.220  -7.520
  451    HG3  LYS  58           HG3      LYS  58   0.461  14.626  -7.646
  452    HD2  LYS  58           HD2      LYS  58   0.333  15.938  -5.665
  453    HD3  LYS  58           HD3      LYS  58   1.262  16.900  -6.832
  454    HE2  LYS  58           HE2      LYS  58  -0.806  18.190  -7.381
  455    HE3  LYS  58           HE3      LYS  58  -1.733  17.169  -6.276
  456    HZ1  LYS  58           HZ1      LYS  58  -0.393  18.045  -4.447
  457    HZ2  LYS  58           HZ2      LYS  58   0.458  18.999  -5.468
  458    HZ3  LYS  58           HZ3      LYS  58  -1.136  19.256  -5.239
  459    H    GLU  59           H        GLU  59  -1.451  18.389 -10.856
  460    HA   GLU  59           HA       GLU  59  -3.255  19.587  -8.997
  461    HB2  GLU  59           HB2      GLU  59  -2.519  20.330 -11.862
  462    HB3  GLU  59           HB3      GLU  59  -3.523  21.326 -10.817
  463    HG2  GLU  59           HG2      GLU  59  -1.721  21.680  -9.257
  464    HG3  GLU  59           HG3      GLU  59  -0.694  20.501 -10.053
  465    H    ILE  60           H        ILE  60  -3.834  18.088 -12.238
  466    HA   ILE  60           HA       ILE  60  -6.639  18.504 -12.338
  467    HB   ILE  60           HB       ILE  60  -4.847  16.339 -13.515
  468   HG12  ILE  60          HG12      ILE  60  -6.272  18.673 -14.870
  469   HG13  ILE  60          HG13      ILE  60  -4.604  18.733 -14.324
  470   HG21  ILE  60          HG21      ILE  60  -6.724  15.699 -14.995
  471   HG22  ILE  60          HG22      ILE  60  -7.095  15.356 -13.323
  472   HG23  ILE  60          HG23      ILE  60  -7.793  16.797 -14.087
  473   HD11  ILE  60          HD11      ILE  60  -4.492  18.233 -16.639
  474   HD12  ILE  60          HD12      ILE  60  -4.139  16.701 -15.810
  475   HD13  ILE  60          HD13      ILE  60  -5.735  16.980 -16.533
  476    H    LEU  61           H        LEU  61  -4.768  15.693 -11.021
  477    HA   LEU  61           HA       LEU  61  -7.137  14.323 -10.211
  478    HB2  LEU  61           HB2      LEU  61  -4.283  14.023  -9.190
  479    HB3  LEU  61           HB3      LEU  61  -5.634  12.929  -8.863
  480    HG   LEU  61           HG       LEU  61  -4.327  13.383 -11.566
  481   HD11  LEU  61          HD11      LEU  61  -3.106  11.893 -10.051
  482   HD12  LEU  61          HD12      LEU  61  -4.572  10.904  -9.838
  483   HD13  LEU  61          HD13      LEU  61  -3.783  11.018 -11.428
  484   HD21  LEU  61          HD21      LEU  61  -5.896  11.645 -12.401
  485   HD22  LEU  61          HD22      LEU  61  -6.835  11.860 -10.895
  486   HD23  LEU  61          HD23      LEU  61  -6.648  13.192 -12.060
  487    H    SER  62           H        SER  62  -5.176  16.772  -8.548
  488    HA   SER  62           HA       SER  62  -6.435  16.475  -5.984
  489    HB2  SER  62           HB2      SER  62  -5.253  18.983  -7.249
  490    HB3  SER  62           HB3      SER  62  -5.572  18.706  -5.529
  491    HG   SER  62           HG       SER  62  -3.754  17.281  -7.203
  492    H    GLU  63           H        GLU  63  -7.285  18.407  -8.933
  493    HA   GLU  63           HA       GLU  63  -9.590  19.652  -7.784
  494    HB2  GLU  63           HB2      GLU  63  -8.418  20.392  -9.854
  495    HB3  GLU  63           HB3      GLU  63  -9.034  18.971 -10.705
  496    HG2  GLU  63           HG2      GLU  63 -11.355  19.724 -10.327
  497    HG3  GLU  63           HG3      GLU  63 -10.766  21.115  -9.410
  498    H    MET  64           H        MET  64  -9.096  16.516  -9.439
  499    HA   MET  64           HA       MET  64 -11.871  15.704  -9.341
  500    HB2  MET  64           HB2      MET  64  -9.304  14.094  -9.623
  501    HB3  MET  64           HB3      MET  64 -10.928  13.427  -9.770
  502    HG2  MET  64           HG2      MET  64 -11.395  14.935 -11.672
  503    HG3  MET  64           HG3      MET  64  -9.772  15.610 -11.535
  504    HE1  MET  64           HE1      MET  64 -12.013  12.697 -12.659
  505    HE2  MET  64           HE2      MET  64 -10.882  11.406 -13.102
  506    HE3  MET  64           HE3      MET  64 -11.144  11.797 -11.391
  507    H    GLY  65           H        GLY  65  -9.710  16.180  -6.759
  508    HA2  GLY  65           HA2      GLY  65 -10.200  15.886  -4.548
  509    HA3  GLY  65           HA3      GLY  65 -11.578  14.860  -4.962
  510    H    TYR  66           H        TYR  66  -8.361  14.070  -6.280
  511    HA   TYR  66           HA       TYR  66  -8.202  11.622  -4.656
  512    HB2  TYR  66           HB2      TYR  66  -6.317  12.935  -6.648
  513    HB3  TYR  66           HB3      TYR  66  -5.853  11.580  -5.642
  514    HD1  TYR  66           HD2      TYR  66  -8.561  12.510  -8.104
  515    HD2  TYR  66           HD1      TYR  66  -6.127   9.390  -6.395
  516    HE1  TYR  66           HE2      TYR  66  -9.656  10.851  -9.582
  517    HE2  TYR  66           HE1      TYR  66  -7.221   7.726  -7.861
  518    HH   TYR  66           HH       TYR  66  -9.000   7.327  -9.298
  519    H    THR  67           H        THR  67  -6.868  11.324  -2.892
  520    HA   THR  67           HA       THR  67  -5.920  13.837  -1.600
  521    HB   THR  67           HB       THR  67  -6.679  12.495   0.497
  522    HG1  THR  67           HG1      THR  67  -8.216  10.954   0.087
  523   HG21  THR  67          HG21      THR  67  -8.765  13.463  -1.508
  524   HG22  THR  67          HG22      THR  67  -8.989  13.279   0.244
  525   HG23  THR  67          HG23      THR  67  -7.859  14.491  -0.379
  526    H    HIS  68           H        HIS  68  -4.597  11.012  -2.860
  527    HA   HIS  68           HA       HIS  68  -2.198  11.528  -1.243
  528    HB2  HIS  68           HB2      HIS  68  -3.754   9.474  -0.437
  529    HB3  HIS  68           HB3      HIS  68  -2.853   8.623  -1.674
  530    HD1  HIS  68           HD1      HIS  68  -0.854   7.387  -0.388
  531    HD2  HIS  68           HD2      HIS  68  -1.875  11.180   1.154
  532    HE1  HIS  68           HE1      HIS  68   0.714   7.817   1.548
  533    H    VAL  69           H        VAL  69  -2.908  12.346  -3.841
  534    HA   VAL  69           HA       VAL  69  -1.220  10.825  -5.699
  535    HB   VAL  69           HB       VAL  69  -1.695  12.928  -7.112
  536   HG11  VAL  69          HG11      VAL  69  -3.783  10.894  -6.301
  537   HG12  VAL  69          HG12      VAL  69  -4.062  12.069  -7.597
  538   HG13  VAL  69          HG13      VAL  69  -2.724  10.938  -7.730
  539   HG21  VAL  69          HG21      VAL  69  -2.531  14.414  -5.266
  540   HG22  VAL  69          HG22      VAL  69  -3.641  14.266  -6.630
  541   HG23  VAL  69          HG23      VAL  69  -3.975  13.381  -5.135
  542    H    GLU  70           H        GLU  70   0.841  11.551  -6.378
  543    HA   GLU  70           HA       GLU  70   1.878  14.066  -5.322
  544    HB2  GLU  70           HB2      GLU  70   2.300  12.483  -3.451
  545    HB3  GLU  70           HB3      GLU  70   3.096  11.366  -4.560
  546    HG2  GLU  70           HG2      GLU  70   4.710  12.620  -3.234
  547    HG3  GLU  70           HG3      GLU  70   4.901  12.969  -4.944
  548    H    ASN  71           H        ASN  71   3.627  14.797  -6.582
  549    HA   ASN  71           HA       ASN  71   4.154  13.252  -9.071
  550    HB2  ASN  71           HB2      ASN  71   3.771  15.546  -9.610
  551    HB3  ASN  71           HB3      ASN  71   4.816  16.105  -8.290
  552   HD21  ASN  71          HD22      ASN  71   5.406  13.499 -10.817
  553   HD22  ASN  71          HD21      ASN  71   6.835  14.263 -11.446
  554    H    ALA  72           H        ALA  72   5.685  11.729  -8.768
  555    HA   ALA  72           HA       ALA  72   7.513  11.736  -6.558
  556    HB1  ALA  72           HB1      ALA  72   7.524  10.154  -9.162
  557    HB2  ALA  72           HB2      ALA  72   8.534   9.803  -7.744
  558    HB3  ALA  72           HB3      ALA  72   6.769   9.666  -7.628
  559    H    GLY  73           H        GLY  73   7.753  12.967  -9.893
  560    HA2  GLY  73           HA2      GLY  73   9.552  14.924  -9.744
  561    HA3  GLY  73           HA3      GLY  73  10.630  13.510  -9.712
  562    H    GLY  74           H        GLY  74  11.421  14.409 -11.755
  563    HA2  GLY  74           HA2      GLY  74   9.703  13.911 -14.110
  564    HA3  GLY  74           HA3      GLY  74  11.343  14.577 -14.127
  565    H    LEU  75           H        LEU  75  10.453  12.388 -15.711
  566    HA   LEU  75           HA       LEU  75  10.827   9.829 -14.763
  567    HB2  LEU  75           HB2      LEU  75   9.967  10.517 -17.010
  568    HB3  LEU  75           HB3      LEU  75  11.618  10.935 -17.486
  569    HG   LEU  75           HG       LEU  75  12.277   8.533 -17.259
  570   HD11  LEU  75          HD11      LEU  75  10.588   7.757 -15.630
  571   HD12  LEU  75          HD12      LEU  75   9.288   8.096 -16.795
  572   HD13  LEU  75          HD13      LEU  75  10.481   6.823 -17.130
  573   HD21  LEU  75          HD21      LEU  75   9.961   9.246 -19.090
  574   HD22  LEU  75          HD22      LEU  75  11.693   9.414 -19.427
  575   HD23  LEU  75          HD23      LEU  75  10.970   7.803 -19.289
  576    H    LYS  76           H        LYS  76  13.377  12.127 -15.685
  577    HA   LYS  76           HA       LYS  76  15.539  10.215 -15.695
  578    HB2  LYS  76           HB2      LYS  76  15.519  13.238 -15.297
  579    HB3  LYS  76           HB3      LYS  76  16.972  12.257 -15.522
  580    HG2  LYS  76           HG2      LYS  76  16.137  11.491 -17.731
  581    HG3  LYS  76           HG3      LYS  76  14.711  12.519 -17.563
  582    HD2  LYS  76           HD2      LYS  76  17.591  13.519 -17.613
  583    HD3  LYS  76           HD3      LYS  76  16.490  13.497 -18.999
  584    HE2  LYS  76           HE2      LYS  76  14.916  14.992 -17.781
  585    HE3  LYS  76           HE3      LYS  76  16.032  15.049 -16.410
  586    HZ1  LYS  76           HZ1      LYS  76  16.303  16.966 -17.842
  587    HZ2  LYS  76           HZ2      LYS  76  17.671  16.084 -17.869
  588    HZ3  LYS  76           HZ3      LYS  76  16.640  16.037 -19.136
  589    H    ASP  77           H        ASP  77  13.828  11.917 -13.103
  590    HA   ASP  77           HA       ASP  77  15.985  11.494 -11.153
  591    HB2  ASP  77           HB2      ASP  77  14.603  13.526 -11.025
  592    HB3  ASP  77           HB3      ASP  77  13.151  12.544 -10.808
  593    H    ILE  78           H        ILE  78  12.706  10.108 -11.942
  594    HA   ILE  78           HA       ILE  78  12.743   8.238  -9.777
  595    HB   ILE  78           HB       ILE  78  11.293   8.237 -12.458
  596   HG12  ILE  78          HG12      ILE  78   9.290   8.382 -10.855
  597   HG13  ILE  78          HG13      ILE  78  10.428   8.685  -9.552
  598   HG21  ILE  78          HG21      ILE  78  11.080   6.188 -10.203
  599   HG22  ILE  78          HG22      ILE  78   9.919   6.352 -11.527
  600   HG23  ILE  78          HG23      ILE  78  11.572   5.883 -11.897
  601   HD11  ILE  78          HD11      ILE  78   9.330  10.716 -10.488
  602   HD12  ILE  78          HD12      ILE  78  11.082  10.810 -10.615
  603   HD13  ILE  78          HD13      ILE  78  10.091  10.397 -12.048
  604    H    ALA  79           H        ALA  79  13.753   6.326  -9.513
  605    HA   ALA  79           HA       ALA  79  15.497   5.310 -11.693
  606    HB1  ALA  79           HB1      ALA  79  17.223   4.894  -9.992
  607    HB2  ALA  79           HB2      ALA  79  16.765   6.605  -9.981
  608    HB3  ALA  79           HB3      ALA  79  16.150   5.512  -8.717
  609    H    MET  80           H        MET  80  12.849   4.499 -11.009
  610    HA   MET  80           HA       MET  80  12.945   1.801  -9.853
  611    HB2  MET  80           HB2      MET  80  10.908   3.300 -11.564
  612    HB3  MET  80           HB3      MET  80  10.675   1.643 -11.000
  613    HG2  MET  80           HG2      MET  80  10.736   2.355  -8.673
  614    HG3  MET  80           HG3      MET  80  11.158   3.997  -9.142
  615    HE1  MET  80           HE1      MET  80   6.956   2.094  -9.647
  616    HE2  MET  80           HE2      MET  80   8.339   1.507 -10.590
  617    HE3  MET  80           HE3      MET  80   8.324   1.323  -8.820
  618    HA   PRO  81           HA       PRO  81  14.452  -0.302 -13.543
  619    HB2  PRO  81           HB2      PRO  81  11.923  -1.958 -13.436
  620    HB3  PRO  81           HB3      PRO  81  13.616  -2.504 -13.644
  621    HG2  PRO  81           HG2      PRO  81  12.392  -2.736 -11.236
  622    HG3  PRO  81           HG3      PRO  81  14.088  -2.157 -11.326
  623    HD2  PRO  81           HD2      PRO  81  11.560  -0.529 -10.993
  624    HD3  PRO  81           HD3      PRO  81  13.130  -0.372 -10.145
  625    H    LYS  82           H        LYS  82  14.200  -0.052 -15.830
  626    HA   LYS  82           HA       LYS  82  11.590   0.936 -16.820
  627    HB2  LYS  82           HB2      LYS  82  14.366   2.047 -17.424
  628    HB3  LYS  82           HB3      LYS  82  12.900   2.486 -18.304
  629    HG2  LYS  82           HG2      LYS  82  11.930   3.534 -16.343
  630    HG3  LYS  82           HG3      LYS  82  13.266   2.968 -15.323
  631    HD2  LYS  82           HD2      LYS  82  14.861   4.289 -16.684
  632    HD3  LYS  82           HD3      LYS  82  13.500   4.894 -17.656
  633    HE2  LYS  82           HE2      LYS  82  12.521   5.986 -15.716
  634    HE3  LYS  82           HE3      LYS  82  13.729   5.272 -14.635
  635    HZ1  LYS  82           HZ1      LYS  82  14.461   7.054 -16.880
  636    HZ2  LYS  82           HZ2      LYS  82  14.146   7.614 -15.346
  637    HZ3  LYS  82           HZ3      LYS  82  15.405   6.594 -15.616
  638    H    VAL  83           H        VAL  83  11.235   0.530 -19.071
  639    HA   VAL  83           HA       VAL  83  13.058  -1.280 -20.508
  640    HB   VAL  83           HB       VAL  83  10.897  -2.520 -21.103
  641   HG11  VAL  83          HG11      VAL  83  12.693  -3.518 -19.705
  642   HG12  VAL  83          HG12      VAL  83  11.893  -2.888 -18.248
  643   HG13  VAL  83          HG13      VAL  83  11.083  -4.101 -19.257
  644   HG21  VAL  83          HG21      VAL  83   9.293  -0.933 -20.061
  645   HG22  VAL  83          HG22      VAL  83   9.068  -2.608 -19.534
  646   HG23  VAL  83          HG23      VAL  83   9.857  -1.439 -18.458
  647    H    LYS  84           H        LYS  84  12.417  -1.331 -22.850
  648    HA   LYS  84           HA       LYS  84  11.457   1.273 -23.822
  649    HB2  LYS  84           HB2      LYS  84  12.152  -1.329 -25.265
  650    HB3  LYS  84           HB3      LYS  84  11.678   0.175 -26.065
  651    HG2  LYS  84           HG2      LYS  84  13.620   1.339 -25.084
  652    HG3  LYS  84           HG3      LYS  84  14.162  -0.161 -24.323
  653    HD2  LYS  84           HD2      LYS  84  13.856   0.304 -27.324
  654    HD3  LYS  84           HD3      LYS  84  15.375   0.387 -26.418
  655    HE2  LYS  84           HE2      LYS  84  15.102  -1.999 -25.745
  656    HE3  LYS  84           HE3      LYS  84  13.614  -2.092 -26.696
  657    HZ1  LYS  84           HZ1      LYS  84  14.929  -1.617 -28.680
  658    HZ2  LYS  84           HZ2      LYS  84  16.306  -1.536 -27.801
  659    HZ3  LYS  84           HZ3      LYS  84  15.499  -2.944 -27.927
  660    H    GLY  85           H        GLY  85   9.480   1.586 -24.924
  661    HA2  GLY  85           HA2      GLY  85   7.324  -0.386 -24.400
  662    HA3  GLY  85           HA3      GLY  85   7.153   1.301 -24.896
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1  -0.024   0.272  -1.275
    2    H2   ALA   1           H2       ALA   1  -1.412   0.183  -2.136
    3    H3   ALA   1           H3       ALA   1  -0.803  -1.176  -1.410
    4    HA   ALA   1           HA       ALA   1   1.122  -1.097  -2.848
    5    HB1  ALA   1           HB1      ALA   1   0.036  -1.804  -4.912
    6    HB2  ALA   1           HB2      ALA   1  -0.883  -2.422  -3.538
    7    HB3  ALA   1           HB3      ALA   1  -1.482  -1.012  -4.439
    8    H    GLU   2           H        GLU   2   1.016  -0.168  -5.535
    9    HA   GLU   2           HA       GLU   2   0.894   2.765  -5.392
   10    HB2  GLU   2           HB2      GLU   2   3.355   1.173  -6.231
   11    HB3  GLU   2           HB3      GLU   2   3.115   2.894  -6.559
   12    HG2  GLU   2           HG2      GLU   2   3.179   3.429  -4.196
   13    HG3  GLU   2           HG3      GLU   2   3.253   1.718  -3.759
   14    H    HIS   3           H        HIS   3   0.433   3.661  -7.366
   15    HA   HIS   3           HA       HIS   3   0.365   1.966  -9.813
   16    HB2  HIS   3           HB2      HIS   3  -1.749   3.872  -8.733
   17    HB3  HIS   3           HB3      HIS   3  -1.635   3.428 -10.433
   18    HD1  HIS   3           HD1      HIS   3  -2.459   1.710  -7.028
   19    HD2  HIS   3           HD2      HIS   3  -2.518   1.081 -11.209
   20    HE1  HIS   3           HE1      HIS   3  -3.762  -0.420  -7.419
   21    H    TRP   4           H        TRP   4   2.274   2.731 -10.589
   22    HA   TRP   4           HA       TRP   4   2.952   5.573 -10.611
   23    HB2  TRP   4           HB2      TRP   4   4.249   3.308 -12.158
   24    HB3  TRP   4           HB3      TRP   4   4.973   4.841 -11.685
   25    HD1  TRP   4           HD1      TRP   4   5.354   5.099  -8.910
   26    HE1  TRP   4           HE1      TRP   4   5.828   3.358  -7.085
   27    HE3  TRP   4           HE3      TRP   4   4.123   0.866 -11.504
   28    HZ2  TRP   4           HZ2      TRP   4   5.954   0.471  -6.892
   29    HZ3  TRP   4           HZ3      TRP   4   4.421  -1.369 -10.473
   30    HH2  TRP   4           HH2      TRP   4   5.344  -1.579  -8.174
   31    H    ILE   5           H        ILE   5   2.608   6.952 -12.395
   32    HA   ILE   5           HA       ILE   5   1.127   5.781 -14.710
   33    HB   ILE   5           HB       ILE   5   0.518   8.464 -13.480
   34   HG12  ILE   5          HG12      ILE   5   0.016   6.909 -11.663
   35   HG13  ILE   5          HG13      ILE   5  -1.398   7.699 -12.314
   36   HG21  ILE   5          HG21      ILE   5  -0.197   8.079 -15.791
   37   HG22  ILE   5          HG22      ILE   5  -1.034   6.604 -15.318
   38   HG23  ILE   5          HG23      ILE   5  -1.606   8.184 -14.722
   39   HD11  ILE   5          HD11      ILE   5  -0.622   4.822 -12.945
   40   HD12  ILE   5          HD12      ILE   5  -1.838   5.347 -11.770
   41   HD13  ILE   5          HD13      ILE   5  -2.090   5.658 -13.486
   42    H    ASP   6           H        ASP   6   1.985   6.311 -16.579
   43    HA   ASP   6           HA       ASP   6   4.005   8.474 -16.903
   44    HB2  ASP   6           HB2      ASP   6   4.610   6.556 -18.180
   45    HB3  ASP   6           HB3      ASP   6   2.933   6.193 -18.588
   46    H    VAL   7           H        VAL   7   3.004  10.415 -17.039
   47    HA   VAL   7           HA       VAL   7   0.314  10.511 -18.317
   48    HB   VAL   7           HB       VAL   7  -0.206  12.493 -17.091
   49   HG11  VAL   7          HG11      VAL   7  -0.311  11.588 -14.847
   50   HG12  VAL   7          HG12      VAL   7  -0.651  10.332 -16.036
   51   HG13  VAL   7          HG13      VAL   7   0.933  10.379 -15.223
   52   HG21  VAL   7          HG21      VAL   7   2.597  12.268 -15.905
   53   HG22  VAL   7          HG22      VAL   7   1.975  13.598 -16.912
   54   HG23  VAL   7          HG23      VAL   7   1.314  13.297 -15.297
   55    H    ARG   8           H        ARG   8   2.907  10.548 -19.858
   56    HA   ARG   8           HA       ARG   8   2.217  13.036 -21.371
   57    HB2  ARG   8           HB2      ARG   8   4.800  12.347 -20.435
   58    HB3  ARG   8           HB3      ARG   8   4.804  11.849 -22.130
   59    HG2  ARG   8           HG2      ARG   8   3.776  14.158 -22.670
   60    HG3  ARG   8           HG3      ARG   8   4.111  14.594 -20.989
   61    HD2  ARG   8           HD2      ARG   8   6.541  14.110 -21.420
   62    HD3  ARG   8           HD3      ARG   8   6.136  13.780 -23.119
   63    HE   ARG   8           HE       ARG   8   5.174  16.356 -22.079
   64   HH11  ARG   8          HH11      ARG   8   7.883  14.814 -23.815
   65   HH12  ARG   8          HH12      ARG   8   8.474  16.310 -24.434
   66   HH21  ARG   8          HH21      ARG   8   5.892  18.227 -22.887
   67   HH22  ARG   8          HH22      ARG   8   7.309  18.340 -23.892
   68    H    VAL   9           H        VAL   9   3.390  12.380 -23.753
   69    HA   VAL   9           HA       VAL   9   1.584  10.491 -24.946
   70    HB   VAL   9           HB       VAL   9   3.359  10.607 -26.802
   71   HG11  VAL   9          HG11      VAL   9   1.972  13.183 -25.921
   72   HG12  VAL   9          HG12      VAL   9   2.552  12.824 -27.562
   73   HG13  VAL   9          HG13      VAL   9   1.239  11.867 -26.862
   74   HG21  VAL   9          HG21      VAL   9   5.267  11.462 -25.395
   75   HG22  VAL   9          HG22      VAL   9   4.936  12.428 -26.838
   76   HG23  VAL   9          HG23      VAL   9   4.415  13.017 -25.256
   77    HA   PRO  10           HA       PRO  10   3.775   6.768 -23.900
   78    HB2  PRO  10           HB2      PRO  10   3.307   5.186 -26.109
   79    HB3  PRO  10           HB3      PRO  10   2.103   5.526 -24.819
   80    HG2  PRO  10           HG2      PRO  10   2.405   6.866 -27.518
   81    HG3  PRO  10           HG3      PRO  10   0.902   6.278 -26.733
   82    HD2  PRO  10           HD2      PRO  10   1.637   8.889 -26.643
   83    HD3  PRO  10           HD3      PRO  10   0.869   8.102 -25.232
   84    H    GLU  11           H        GLU  11   4.593   8.641 -26.723
   85    HA   GLU  11           HA       GLU  11   6.818   7.298 -27.730
   86    HB2  GLU  11           HB2      GLU  11   6.435  10.299 -27.353
   87    HB3  GLU  11           HB3      GLU  11   7.632   9.555 -28.410
   88    HG2  GLU  11           HG2      GLU  11   4.604   9.311 -28.706
   89    HG3  GLU  11           HG3      GLU  11   5.649  10.370 -29.638
   90    H    GLN  12           H        GLN  12   6.659   9.346 -24.726
   91    HA   GLN  12           HA       GLN  12   9.517   9.168 -24.350
   92    HB2  GLN  12           HB2      GLN  12   9.263  10.326 -22.383
   93    HB3  GLN  12           HB3      GLN  12   7.983  10.926 -23.400
   94    HG2  GLN  12           HG2      GLN  12   6.927  10.750 -21.358
   95    HG3  GLN  12           HG3      GLN  12   6.423   9.268 -22.151
   96   HE21  GLN  12          HE22      GLN  12   5.951   8.627 -19.831
   97   HE22  GLN  12          HE21      GLN  12   7.254   7.861 -18.926
   98    H    TYR  13           H        TYR  13   6.734   7.337 -23.109
   99    HA   TYR  13           HA       TYR  13   8.052   5.601 -21.354
  100    HB2  TYR  13           HB2      TYR  13   5.725   5.930 -21.225
  101    HB3  TYR  13           HB3      TYR  13   5.458   5.599 -22.917
  102    HD1  TYR  13           HD2      TYR  13   5.848   3.146 -23.768
  103    HD2  TYR  13           HD1      TYR  13   5.066   4.294 -19.681
  104    HE1  TYR  13           HE2      TYR  13   5.003   0.877 -23.302
  105    HE2  TYR  13           HE1      TYR  13   4.197   2.026 -19.212
  106    HH   TYR  13           HH       TYR  13   4.071  -0.553 -21.715
  107    H    GLN  14           H        GLN  14   7.546   5.375 -24.884
  108    HA   GLN  14           HA       GLN  14   8.445   2.770 -25.245
  109    HB2  GLN  14           HB2      GLN  14   7.202   4.075 -26.900
  110    HB3  GLN  14           HB3      GLN  14   8.535   5.214 -27.056
  111    HG2  GLN  14           HG2      GLN  14   8.429   3.693 -28.955
  112    HG3  GLN  14           HG3      GLN  14   9.946   3.514 -28.081
  113   HE21  GLN  14          HE22      GLN  14  10.161   1.660 -26.609
  114   HE22  GLN  14          HE21      GLN  14   9.253   0.181 -26.861
  115    H    GLN  15           H        GLN  15  10.316   5.841 -24.868
  116    HA   GLN  15           HA       GLN  15  12.782   4.593 -25.743
  117    HB2  GLN  15           HB2      GLN  15  12.643   7.014 -23.897
  118    HB3  GLN  15           HB3      GLN  15  13.916   6.563 -25.022
  119    HG2  GLN  15           HG2      GLN  15  11.211   7.768 -25.597
  120    HG3  GLN  15           HG3      GLN  15  12.786   8.446 -25.941
  121   HE21  GLN  15          HE22      GLN  15  10.164   7.146 -27.436
  122   HE22  GLN  15          HE21      GLN  15  10.926   6.468 -28.870
  123    H    GLU  16           H        GLU  16  11.368   5.444 -22.562
  124    HA   GLU  16           HA       GLU  16  11.881   2.947 -21.482
  125    HB2  GLU  16           HB2      GLU  16  13.471   3.354 -19.721
  126    HB3  GLU  16           HB3      GLU  16  14.244   3.691 -21.256
  127    HG2  GLU  16           HG2      GLU  16  13.641   6.187 -20.798
  128    HG3  GLU  16           HG3      GLU  16  13.323   5.650 -19.142
  129    H    HIS  17           H        HIS  17  10.777   2.766 -19.421
  130    HA   HIS  17           HA       HIS  17   9.426   5.204 -18.401
  131    HB2  HIS  17           HB2      HIS  17   7.347   3.843 -18.146
  132    HB3  HIS  17           HB3      HIS  17   7.760   4.211 -19.806
  133    HD1  HIS  17           HD1      HIS  17   8.492   2.079 -21.338
  134    HD2  HIS  17           HD2      HIS  17   7.145   1.325 -17.425
  135    HE1  HIS  17           HE1      HIS  17   7.961  -0.432 -21.203
  136    H    VAL  18           H        VAL  18   8.837   5.024 -16.207
  137    HA   VAL  18           HA       VAL  18  10.534   3.548 -14.445
  138    HB   VAL  18           HB       VAL  18   7.810   4.872 -14.042
  139   HG11  VAL  18          HG11      VAL  18   8.201   3.267 -12.214
  140   HG12  VAL  18          HG12      VAL  18   9.835   3.919 -11.960
  141   HG13  VAL  18          HG13      VAL  18   8.404   4.915 -11.619
  142   HG21  VAL  18          HG21      VAL  18   9.564   6.471 -14.737
  143   HG22  VAL  18          HG22      VAL  18   9.117   6.721 -13.057
  144   HG23  VAL  18          HG23      VAL  18  10.633   5.878 -13.448
  145    H    GLN  19           H        GLN  19  10.426   1.447 -13.831
  146    HA   GLN  19           HA       GLN  19   8.997  -0.342 -15.394
  147    HB2  GLN  19           HB2      GLN  19  11.088  -0.792 -14.177
  148    HB3  GLN  19           HB3      GLN  19  10.230  -0.807 -12.638
  149    HG2  GLN  19           HG2      GLN  19   9.516  -2.711 -14.914
  150    HG3  GLN  19           HG3      GLN  19  10.839  -3.047 -13.812
  151   HE21  GLN  19          HE22      GLN  19   7.351  -3.147 -14.159
  152   HE22  GLN  19          HE21      GLN  19   7.026  -3.767 -12.564
  153    H    GLY  20           H        GLY  20   6.916  -0.879 -15.484
  154    HA2  GLY  20           HA2      GLY  20   4.980  -1.873 -14.626
  155    HA3  GLY  20           HA3      GLY  20   5.364  -1.287 -13.003
  156    H    ALA  21           H        ALA  21   5.847   1.370 -14.963
  157    HA   ALA  21           HA       ALA  21   3.373   2.626 -14.199
  158    HB1  ALA  21           HB1      ALA  21   4.108   4.530 -15.599
  159    HB2  ALA  21           HB2      ALA  21   5.441   3.947 -14.581
  160    HB3  ALA  21           HB3      ALA  21   5.385   3.523 -16.310
  161    H    ILE  22           H        ILE  22   1.856   3.638 -15.675
  162    HA   ILE  22           HA       ILE  22   1.256   2.067 -18.124
  163    HB   ILE  22           HB       ILE  22  -1.143   2.181 -17.422
  164   HG12  ILE  22          HG12      ILE  22  -0.066   2.844 -14.641
  165   HG13  ILE  22          HG13      ILE  22  -0.963   3.957 -15.675
  166   HG21  ILE  22          HG21      ILE  22   0.314   0.142 -17.230
  167   HG22  ILE  22          HG22      ILE  22   0.600   0.553 -15.525
  168   HG23  ILE  22          HG23      ILE  22  -1.034   0.158 -16.097
  169   HD11  ILE  22          HD11      ILE  22  -2.474   3.059 -14.044
  170   HD12  ILE  22          HD12      ILE  22  -2.912   2.366 -15.619
  171   HD13  ILE  22          HD13      ILE  22  -2.018   1.394 -14.422
  172    H    ASN  23           H        ASN  23   0.414   3.263 -19.807
  173    HA   ASN  23           HA       ASN  23   1.009   6.116 -19.709
  174    HB2  ASN  23           HB2      ASN  23   1.654   4.853 -21.682
  175    HB3  ASN  23           HB3      ASN  23  -0.017   4.310 -21.936
  176   HD21  ASN  23          HD22      ASN  23   1.953   7.331 -21.628
  177   HD22  ASN  23          HD21      ASN  23   0.919   8.329 -22.607
  178    H    ILE  24           H        ILE  24  -0.407   7.525 -18.923
  179    HA   ILE  24           HA       ILE  24  -3.212   7.475 -19.852
  180    HB   ILE  24           HB       ILE  24  -2.540   8.039 -16.947
  181   HG12  ILE  24          HG12      ILE  24  -3.698   5.484 -18.127
  182   HG13  ILE  24          HG13      ILE  24  -2.171   5.652 -17.260
  183   HG21  ILE  24          HG21      ILE  24  -4.519   9.186 -18.024
  184   HG22  ILE  24          HG22      ILE  24  -5.183   7.580 -18.364
  185   HG23  ILE  24          HG23      ILE  24  -4.958   8.133 -16.685
  186   HD11  ILE  24          HD11      ILE  24  -3.720   4.707 -15.739
  187   HD12  ILE  24          HD12      ILE  24  -3.504   6.394 -15.229
  188   HD13  ILE  24          HD13      ILE  24  -4.966   5.906 -16.115
  189    HA   PRO  25           HA       PRO  25  -0.648  11.204 -20.706
  190    HB2  PRO  25           HB2      PRO  25  -2.912  11.635 -22.659
  191    HB3  PRO  25           HB3      PRO  25  -1.153  11.897 -22.894
  192    HG2  PRO  25           HG2      PRO  25  -2.327   9.668 -23.880
  193    HG3  PRO  25           HG3      PRO  25  -0.752   9.539 -23.028
  194    HD2  PRO  25           HD2      PRO  25  -3.523   9.005 -21.934
  195    HD3  PRO  25           HD3      PRO  25  -2.041   8.018 -21.769
  196    H    LEU  26           H        LEU  26  -0.841  13.389 -20.254
  197    HA   LEU  26           HA       LEU  26  -2.406  14.390 -18.317
  198    HB2  LEU  26           HB2      LEU  26  -0.364  15.408 -19.349
  199    HB3  LEU  26           HB3      LEU  26  -1.328  15.893 -20.742
  200    HG   LEU  26           HG       LEU  26  -2.716  17.355 -19.203
  201   HD11  LEU  26          HD11      LEU  26  -0.507  16.680 -17.208
  202   HD12  LEU  26          HD12      LEU  26  -1.793  17.888 -16.982
  203   HD13  LEU  26          HD13      LEU  26  -2.199  16.170 -17.066
  204   HD21  LEU  26          HD21      LEU  26   0.278  17.913 -19.244
  205   HD22  LEU  26          HD22      LEU  26  -0.868  18.277 -20.552
  206   HD23  LEU  26          HD23      LEU  26  -1.012  19.109 -18.997
  207    H    LYS  27           H        LYS  27  -3.332  14.345 -21.759
  208    HA   LYS  27           HA       LYS  27  -5.585  16.091 -21.543
  209    HB2  LYS  27           HB2      LYS  27  -4.973  13.877 -23.557
  210    HB3  LYS  27           HB3      LYS  27  -6.246  15.090 -23.730
  211    HG2  LYS  27           HG2      LYS  27  -4.533  16.902 -23.690
  212    HG3  LYS  27           HG3      LYS  27  -3.261  15.690 -23.535
  213    HD2  LYS  27           HD2      LYS  27  -3.363  16.387 -25.841
  214    HD3  LYS  27           HD3      LYS  27  -3.875  14.711 -25.709
  215    HE2  LYS  27           HE2      LYS  27  -5.308  15.814 -27.289
  216    HE3  LYS  27           HE3      LYS  27  -6.264  15.427 -25.861
  217    HZ1  LYS  27           HZ1      LYS  27  -6.692  17.667 -26.668
  218    HZ2  LYS  27           HZ2      LYS  27  -6.043  17.759 -25.178
  219    HZ3  LYS  27           HZ3      LYS  27  -5.133  18.097 -26.496
  220    H    GLU  28           H        GLU  28  -5.235  12.796 -20.482
  221    HA   GLU  28           HA       GLU  28  -8.208  12.415 -20.459
  222    HB2  GLU  28           HB2      GLU  28  -6.049  10.311 -20.786
  223    HB3  GLU  28           HB3      GLU  28  -7.806  10.095 -20.901
  224    HG2  GLU  28           HG2      GLU  28  -7.802  11.583 -22.922
  225    HG3  GLU  28           HG3      GLU  28  -6.032  11.602 -22.863
  226    H    VAL  29           H        VAL  29  -5.246  12.319 -18.619
  227    HA   VAL  29           HA       VAL  29  -5.705  10.575 -16.623
  228    HB   VAL  29           HB       VAL  29  -3.724  12.181 -17.080
  229   HG11  VAL  29          HG11      VAL  29  -3.489  14.159 -15.787
  230   HG12  VAL  29          HG12      VAL  29  -4.978  14.314 -16.724
  231   HG13  VAL  29          HG13      VAL  29  -5.053  13.929 -14.987
  232   HG21  VAL  29          HG21      VAL  29  -2.865  11.923 -14.798
  233   HG22  VAL  29          HG22      VAL  29  -4.498  11.531 -14.217
  234   HG23  VAL  29          HG23      VAL  29  -3.671  10.453 -15.362
  235    H    LYS  30           H        LYS  30  -7.425  13.649 -16.926
  236    HA   LYS  30           HA       LYS  30  -8.412  13.877 -14.303
  237    HB2  LYS  30           HB2      LYS  30  -8.485  15.525 -16.334
  238    HB3  LYS  30           HB3      LYS  30 -10.005  14.733 -16.750
  239    HG2  LYS  30           HG2      LYS  30 -10.967  15.366 -14.562
  240    HG3  LYS  30           HG3      LYS  30  -9.394  15.969 -14.024
  241    HD2  LYS  30           HD2      LYS  30  -9.507  17.620 -15.993
  242    HD3  LYS  30           HD3      LYS  30 -11.209  17.143 -16.162
  243    HE2  LYS  30           HE2      LYS  30 -11.622  17.824 -13.799
  244    HE3  LYS  30           HE3      LYS  30  -9.910  18.222 -13.611
  245    HZ1  LYS  30           HZ1      LYS  30 -11.043  20.222 -14.022
  246    HZ2  LYS  30           HZ2      LYS  30 -10.247  19.901 -15.404
  247    HZ3  LYS  30           HZ3      LYS  30 -11.861  19.632 -15.324
  248    H    GLU  31           H        GLU  31  -9.426  11.658 -16.833
  249    HA   GLU  31           HA       GLU  31 -11.820  10.897 -15.183
  250    HB2  GLU  31           HB2      GLU  31 -11.464  10.892 -18.206
  251    HB3  GLU  31           HB3      GLU  31 -12.835  10.186 -17.339
  252    HG2  GLU  31           HG2      GLU  31 -13.350  12.427 -16.359
  253    HG3  GLU  31           HG3      GLU  31 -12.039  13.131 -17.309
  254    H    ARG  32           H        ARG  32  -9.177   9.710 -17.343
  255    HA   ARG  32           HA       ARG  32  -9.818   6.939 -17.009
  256    HB2  ARG  32           HB2      ARG  32  -7.276   8.414 -17.759
  257    HB3  ARG  32           HB3      ARG  32  -7.359   6.645 -17.673
  258    HG2  ARG  32           HG2      ARG  32  -9.202   6.658 -19.362
  259    HG3  ARG  32           HG3      ARG  32  -9.066   8.418 -19.472
  260    HD2  ARG  32           HD2      ARG  32  -7.857   7.440 -21.323
  261    HD3  ARG  32           HD3      ARG  32  -6.696   8.178 -20.201
  262    HE   ARG  32           HE       ARG  32  -7.118   5.373 -19.643
  263   HH11  ARG  32          HH11      ARG  32  -5.479   7.437 -22.051
  264   HH12  ARG  32          HH12      ARG  32  -4.081   6.409 -22.134
  265   HH21  ARG  32          HH21      ARG  32  -5.244   4.026 -19.815
  266   HH22  ARG  32          HH22      ARG  32  -3.856   4.600 -20.673
  267    H    ILE  33           H        ILE  33  -8.337   9.145 -14.718
  268    HA   ILE  33           HA       ILE  33  -6.942   7.280 -13.150
  269    HB   ILE  33           HB       ILE  33  -6.865   9.673 -12.763
  270   HG12  ILE  33          HG12      ILE  33  -7.096   9.759 -10.290
  271   HG13  ILE  33          HG13      ILE  33  -7.928   8.212 -10.310
  272   HG21  ILE  33          HG21      ILE  33  -9.728   9.526 -11.708
  273   HG22  ILE  33          HG22      ILE  33  -8.669  10.941 -11.692
  274   HG23  ILE  33          HG23      ILE  33  -9.226  10.293 -13.228
  275   HD11  ILE  33          HD11      ILE  33  -5.078   8.692 -11.294
  276   HD12  ILE  33          HD12      ILE  33  -5.533   8.020  -9.715
  277   HD13  ILE  33          HD13      ILE  33  -5.895   7.112 -11.190
  278    H    ALA  34           H        ALA  34 -10.487   7.765 -13.483
  279    HA   ALA  34           HA       ALA  34 -11.180   6.395 -11.071
  280    HB1  ALA  34           HB1      ALA  34 -12.797   6.804 -13.631
  281    HB2  ALA  34           HB2      ALA  34 -13.446   6.348 -12.043
  282    HB3  ALA  34           HB3      ALA  34 -12.703   7.944 -12.268
  283    H    THR  35           H        THR  35 -10.753   5.219 -14.468
  284    HA   THR  35           HA       THR  35 -11.585   2.522 -13.753
  285    HB   THR  35           HB       THR  35 -10.660   2.165 -16.171
  286    HG1  THR  35           HG1      THR  35 -10.392   4.004 -17.349
  287   HG21  THR  35          HG21      THR  35 -13.068   2.305 -15.606
  288   HG22  THR  35          HG22      THR  35 -12.993   4.080 -15.672
  289   HG23  THR  35          HG23      THR  35 -12.726   3.115 -17.142
  290    H    ALA  36           H        ALA  36  -8.488   4.278 -14.286
  291    HA   ALA  36           HA       ALA  36  -6.837   1.962 -14.137
  292    HB1  ALA  36           HB1      ALA  36  -6.116   4.090 -15.110
  293    HB2  ALA  36           HB2      ALA  36  -6.199   4.879 -13.516
  294    HB3  ALA  36           HB3      ALA  36  -5.013   3.590 -13.811
  295    H    VAL  37           H        VAL  37  -7.993   4.216 -11.588
  296    HA   VAL  37           HA       VAL  37  -6.965   2.391  -9.493
  297    HB   VAL  37           HB       VAL  37  -6.640   5.326  -9.335
  298   HG11  VAL  37          HG11      VAL  37  -5.181   4.766  -7.431
  299   HG12  VAL  37          HG12      VAL  37  -6.776   4.062  -7.201
  300   HG13  VAL  37          HG13      VAL  37  -5.428   3.035  -7.731
  301   HG21  VAL  37          HG21      VAL  37  -4.532   3.297 -10.142
  302   HG22  VAL  37          HG22      VAL  37  -5.114   4.669 -11.112
  303   HG23  VAL  37          HG23      VAL  37  -4.189   4.968  -9.646
  304    HA   PRO  38           HA       PRO  38 -11.486   3.257  -9.117
  305    HB2  PRO  38           HB2      PRO  38 -11.217   0.680  -7.574
  306    HB3  PRO  38           HB3      PRO  38 -12.523   1.204  -8.687
  307    HG2  PRO  38           HG2      PRO  38 -10.629  -0.538  -9.536
  308    HG3  PRO  38           HG3      PRO  38 -11.150   0.810 -10.601
  309    HD2  PRO  38           HD2      PRO  38  -8.682   0.644  -8.855
  310    HD3  PRO  38           HD3      PRO  38  -8.846   1.215 -10.542
  311    H    ASP  39           H        ASP  39  -9.006   2.748  -6.660
  312    HA   ASP  39           HA       ASP  39 -10.596   4.382  -4.749
  313    HB2  ASP  39           HB2      ASP  39 -10.733   2.153  -3.861
  314    HB3  ASP  39           HB3      ASP  39  -8.998   1.894  -4.089
  315    H    LYS  40           H        LYS  40  -9.558   6.230  -5.241
  316    HA   LYS  40           HA       LYS  40  -6.806   6.452  -5.903
  317    HB2  LYS  40           HB2      LYS  40  -8.676   8.644  -4.913
  318    HB3  LYS  40           HB3      LYS  40  -7.189   8.860  -5.843
  319    HG2  LYS  40           HG2      LYS  40  -8.236   7.604  -7.752
  320    HG3  LYS  40           HG3      LYS  40  -9.738   7.501  -6.817
  321    HD2  LYS  40           HD2      LYS  40  -9.683  10.075  -6.683
  322    HD3  LYS  40           HD3      LYS  40  -8.370  10.005  -7.862
  323    HE2  LYS  40           HE2      LYS  40 -10.321  10.359  -9.145
  324    HE3  LYS  40           HE3      LYS  40  -9.926   8.653  -9.372
  325    HZ1  LYS  40           HZ1      LYS  40 -11.997   9.704  -7.513
  326    HZ2  LYS  40           HZ2      LYS  40 -12.298   8.992  -8.945
  327    HZ3  LYS  40           HZ3      LYS  40 -11.657   8.119  -7.729
  328    H    ASN  41           H        ASN  41  -8.049   5.824  -2.812
  329    HA   ASN  41           HA       ASN  41  -6.092   7.356  -1.288
  330    HB2  ASN  41           HB2      ASN  41  -8.213   6.555  -0.262
  331    HB3  ASN  41           HB3      ASN  41  -7.702   4.884  -0.537
  332   HD21  ASN  41          HD22      ASN  41  -6.602   7.928   1.115
  333   HD22  ASN  41          HD21      ASN  41  -5.806   7.094   2.419
  334    H    ASP  42           H        ASP  42  -6.021   4.422  -3.237
  335    HA   ASP  42           HA       ASP  42  -3.595   3.336  -2.012
  336    HB2  ASP  42           HB2      ASP  42  -5.083   1.961  -3.476
  337    HB3  ASP  42           HB3      ASP  42  -4.659   3.012  -4.844
  338    H    THR  43           H        THR  43  -1.421   3.703  -2.875
  339    HA   THR  43           HA       THR  43  -0.949   6.456  -3.316
  340    HB   THR  43           HB       THR  43   1.066   4.312  -4.014
  341    HG1  THR  43           HG1      THR  43   0.632   3.404  -2.249
  342   HG21  THR  43          HG21      THR  43   1.793   6.634  -4.190
  343   HG22  THR  43          HG22      THR  43   1.292   6.947  -2.517
  344   HG23  THR  43          HG23      THR  43   2.627   5.820  -2.854
  345    H    VAL  44           H        VAL  44  -0.950   7.671  -5.209
  346    HA   VAL  44           HA       VAL  44  -0.538   6.206  -7.783
  347    HB   VAL  44           HB       VAL  44  -2.199   8.714  -7.416
  348   HG11  VAL  44          HG11      VAL  44  -1.198   8.468  -9.663
  349   HG12  VAL  44          HG12      VAL  44  -1.874   6.826  -9.782
  350   HG13  VAL  44          HG13      VAL  44  -2.944   8.243  -9.721
  351   HG21  VAL  44          HG21      VAL  44  -3.091   5.824  -7.645
  352   HG22  VAL  44          HG22      VAL  44  -3.477   6.993  -6.362
  353   HG23  VAL  44          HG23      VAL  44  -4.163   7.212  -7.964
  354    H    LYS  45           H        LYS  45   1.093   7.007  -9.047
  355    HA   LYS  45           HA       LYS  45   2.588   9.393  -8.018
  356    HB2  LYS  45           HB2      LYS  45   3.517   6.563  -8.533
  357    HB3  LYS  45           HB3      LYS  45   4.630   7.919  -8.718
  358    HG2  LYS  45           HG2      LYS  45   4.163   8.656  -6.397
  359    HG3  LYS  45           HG3      LYS  45   3.039   7.297  -6.189
  360    HD2  LYS  45           HD2      LYS  45   4.858   5.694  -6.552
  361    HD3  LYS  45           HD3      LYS  45   6.007   7.020  -6.844
  362    HE2  LYS  45           HE2      LYS  45   5.639   7.853  -4.538
  363    HE3  LYS  45           HE3      LYS  45   4.465   6.559  -4.253
  364    HZ1  LYS  45           HZ1      LYS  45   6.601   5.938  -3.370
  365    HZ2  LYS  45           HZ2      LYS  45   6.249   4.952  -4.638
  366    HZ3  LYS  45           HZ3      LYS  45   7.348   6.164  -4.804
  367    H    VAL  46           H        VAL  46   2.240  10.856  -9.632
  368    HA   VAL  46           HA       VAL  46   2.252   9.892 -12.437
  369    HB   VAL  46           HB       VAL  46   1.503  12.159 -13.002
  370   HG11  VAL  46          HG11      VAL  46  -0.144  10.370 -12.536
  371   HG12  VAL  46          HG12      VAL  46  -0.195  10.849 -10.828
  372   HG13  VAL  46          HG13      VAL  46  -0.763  11.959 -12.090
  373   HG21  VAL  46          HG21      VAL  46   2.429  13.508 -11.145
  374   HG22  VAL  46          HG22      VAL  46   0.693  13.726 -11.308
  375   HG23  VAL  46          HG23      VAL  46   1.317  12.708 -10.005
  376    H    TYR  47           H        TYR  47   3.910  10.204 -13.845
  377    HA   TYR  47           HA       TYR  47   5.876  12.277 -13.331
  378    HB2  TYR  47           HB2      TYR  47   7.819  10.966 -13.466
  379    HB3  TYR  47           HB3      TYR  47   6.743  10.000 -12.466
  380    HD1  TYR  47           HD2      TYR  47   5.488   8.037 -13.485
  381    HD2  TYR  47           HD1      TYR  47   8.509  10.225 -15.646
  382    HE1  TYR  47           HE2      TYR  47   5.552   6.265 -15.194
  383    HE2  TYR  47           HE1      TYR  47   8.587   8.432 -17.360
  384    HH   TYR  47           HH       TYR  47   6.460   5.583 -17.244
  385    H    CYS  48           H        CYS  48   7.059  12.785 -15.381
  386    HA   CYS  48           HA       CYS  48   5.992  11.703 -17.883
  387    HB2  CYS  48           HB2      CYS  48   5.349  13.868 -18.783
  388    HB3  CYS  48           HB3      CYS  48   4.500  13.683 -17.247
  389    HG   CYS  48           HG       CYS  48   6.209  14.995 -15.811
  390    H    ASN  49           H        ASN  49   7.348  13.194 -19.670
  391    HA   ASN  49           HA       ASN  49  10.023  12.430 -19.384
  392    HB2  ASN  49           HB2      ASN  49   8.919  12.943 -21.546
  393    HB3  ASN  49           HB3      ASN  49   8.876  14.658 -21.118
  394   HD21  ASN  49          HD22      ASN  49  10.582  15.859 -21.985
  395   HD22  ASN  49          HD21      ASN  49  12.143  15.200 -22.380
  396    H    ALA  50           H        ALA  50   8.559  15.528 -18.326
  397    HA   ALA  50           HA       ALA  50  11.286  16.487 -17.554
  398    HB1  ALA  50           HB1      ALA  50  10.656  18.685 -18.416
  399    HB2  ALA  50           HB2      ALA  50  10.488  17.462 -19.683
  400    HB3  ALA  50           HB3      ALA  50   9.042  18.083 -18.852
  401    H    GLY  51           H        GLY  51   8.520  15.570 -16.018
  402    HA2  GLY  51           HA2      GLY  51   8.014  15.815 -13.798
  403    HA3  GLY  51           HA3      GLY  51   9.219  17.095 -13.658
  404    H    ARG  52           H        ARG  52   8.215  18.938 -15.576
  405    HA   ARG  52           HA       ARG  52   6.281  20.306 -14.109
  406    HB2  ARG  52           HB2      ARG  52   7.720  21.449 -15.691
  407    HB3  ARG  52           HB3      ARG  52   7.084  20.517 -17.038
  408    HG2  ARG  52           HG2      ARG  52   6.271  22.754 -17.153
  409    HG3  ARG  52           HG3      ARG  52   4.914  21.680 -16.887
  410    HD2  ARG  52           HD2      ARG  52   6.241  23.200 -14.590
  411    HD3  ARG  52           HD3      ARG  52   5.038  23.955 -15.645
  412    HE   ARG  52           HE       ARG  52   4.194  21.410 -14.501
  413   HH11  ARG  52          HH11      ARG  52   4.189  24.924 -13.940
  414   HH12  ARG  52          HH12      ARG  52   2.766  24.884 -12.962
  415   HH21  ARG  52          HH21      ARG  52   2.342  21.375 -13.244
  416   HH22  ARG  52          HH22      ARG  52   1.663  22.800 -12.551
  417    H    GLN  53           H        GLN  53   5.738  18.213 -17.025
  418    HA   GLN  53           HA       GLN  53   2.934  18.888 -16.979
  419    HB2  GLN  53           HB2      GLN  53   4.223  16.632 -18.542
  420    HB3  GLN  53           HB3      GLN  53   2.642  17.371 -18.781
  421    HG2  GLN  53           HG2      GLN  53   4.124  19.625 -18.947
  422    HG3  GLN  53           HG3      GLN  53   5.378  18.474 -19.411
  423   HE21  GLN  53          HE22      GLN  53   2.099  19.662 -20.160
  424   HE22  GLN  53          HE21      GLN  53   2.118  19.214 -21.864
  425    H    SER  54           H        SER  54   4.798  16.325 -15.362
  426    HA   SER  54           HA       SER  54   2.391  14.916 -14.567
  427    HB2  SER  54           HB2      SER  54   4.158  14.127 -12.752
  428    HB3  SER  54           HB3      SER  54   4.081  13.489 -14.386
  429    HG   SER  54           HG       SER  54   6.249  14.372 -13.423
  430    H    GLY  55           H        GLY  55   4.356  17.607 -13.293
  431    HA2  GLY  55           HA2      GLY  55   2.931  18.142 -10.927
  432    HA3  GLY  55           HA3      GLY  55   3.674  19.341 -12.018
  433    H    GLN  56           H        GLN  56   2.181  19.093 -14.351
  434    HA   GLN  56           HA       GLN  56  -0.259  20.488 -13.766
  435    HB2  GLN  56           HB2      GLN  56   0.486  18.968 -16.298
  436    HB3  GLN  56           HB3      GLN  56  -0.848  20.095 -16.126
  437    HG2  GLN  56           HG2      GLN  56   0.750  21.929 -15.651
  438    HG3  GLN  56           HG3      GLN  56   2.093  20.812 -15.879
  439   HE21  GLN  56          HE22      GLN  56  -0.003  23.002 -17.511
  440   HE22  GLN  56          HE21      GLN  56   0.408  22.537 -19.142
  441    H    ALA  57           H        ALA  57   0.351  17.040 -14.706
  442    HA   ALA  57           HA       ALA  57  -2.356  16.252 -14.655
  443    HB1  ALA  57           HB1      ALA  57  -1.507  13.966 -14.370
  444    HB2  ALA  57           HB2      ALA  57  -0.513  14.842 -15.553
  445    HB3  ALA  57           HB3      ALA  57   0.075  14.590 -13.886
  446    H    LYS  58           H        LYS  58  -0.050  16.707 -11.993
  447    HA   LYS  58           HA       LYS  58  -1.870  15.460 -10.072
  448    HB2  LYS  58           HB2      LYS  58   0.462  15.563  -9.401
  449    HB3  LYS  58           HB3      LYS  58   0.456  17.347  -9.474
  450    HG2  LYS  58           HG2      LYS  58  -1.221  17.495  -7.754
  451    HG3  LYS  58           HG3      LYS  58  -1.545  15.753  -7.816
  452    HD2  LYS  58           HD2      LYS  58   0.692  15.361  -6.811
  453    HD3  LYS  58           HD3      LYS  58   0.899  17.119  -6.632
  454    HE2  LYS  58           HE2      LYS  58  -1.478  15.496  -5.587
  455    HE3  LYS  58           HE3      LYS  58  -0.077  15.939  -4.588
  456    HZ1  LYS  58           HZ1      LYS  58  -1.817  17.481  -4.184
  457    HZ2  LYS  58           HZ2      LYS  58  -0.703  18.301  -5.044
  458    HZ3  LYS  58           HZ3      LYS  58  -2.098  17.773  -5.755
  459    H    GLU  59           H        GLU  59  -1.271  18.879 -11.140
  460    HA   GLU  59           HA       GLU  59  -3.151  19.985  -9.320
  461    HB2  GLU  59           HB2      GLU  59  -2.200  20.916 -12.048
  462    HB3  GLU  59           HB3      GLU  59  -3.296  21.853 -11.017
  463    HG2  GLU  59           HG2      GLU  59  -1.609  21.860  -9.207
  464    HG3  GLU  59           HG3      GLU  59  -0.493  20.959 -10.226
  465    H    ILE  60           H        ILE  60  -3.656  18.609 -12.604
  466    HA   ILE  60           HA       ILE  60  -6.451  19.066 -12.816
  467    HB   ILE  60           HB       ILE  60  -4.625  16.861 -13.856
  468   HG12  ILE  60          HG12      ILE  60  -5.993  19.209 -15.246
  469   HG13  ILE  60          HG13      ILE  60  -4.296  19.153 -14.774
  470   HG21  ILE  60          HG21      ILE  60  -6.898  15.889 -13.698
  471   HG22  ILE  60          HG22      ILE  60  -7.532  17.286 -14.605
  472   HG23  ILE  60          HG23      ILE  60  -6.418  16.122 -15.359
  473   HD11  ILE  60          HD11      ILE  60  -5.675  17.558 -16.951
  474   HD12  ILE  60          HD12      ILE  60  -4.264  18.617 -17.066
  475   HD13  ILE  60          HD13      ILE  60  -4.129  17.031 -16.266
  476    H    LEU  61           H        LEU  61  -4.679  16.266 -11.361
  477    HA   LEU  61           HA       LEU  61  -7.088  14.943 -10.588
  478    HB2  LEU  61           HB2      LEU  61  -4.196  14.649  -9.688
  479    HB3  LEU  61           HB3      LEU  61  -5.486  13.604  -9.108
  480    HG   LEU  61           HG       LEU  61  -4.844  13.938 -12.080
  481   HD11  LEU  61          HD11      LEU  61  -4.002  11.697 -10.196
  482   HD12  LEU  61          HD12      LEU  61  -3.758  11.736 -11.951
  483   HD13  LEU  61          HD13      LEU  61  -2.929  12.915 -10.938
  484   HD21  LEU  61          HD21      LEU  61  -7.112  13.176 -11.792
  485   HD22  LEU  61          HD22      LEU  61  -6.129  11.809 -12.281
  486   HD23  LEU  61          HD23      LEU  61  -6.609  11.982 -10.575
  487    H    SER  62           H        SER  62  -5.064  17.315  -8.952
  488    HA   SER  62           HA       SER  62  -6.221  17.022  -6.360
  489    HB2  SER  62           HB2      SER  62  -4.890  19.470  -7.569
  490    HB3  SER  62           HB3      SER  62  -5.141  19.138  -5.847
  491    HG   SER  62           HG       SER  62  -3.564  17.624  -7.678
  492    H    GLU  63           H        GLU  63  -7.095  18.979  -9.239
  493    HA   GLU  63           HA       GLU  63  -9.288  20.337  -7.962
  494    HB2  GLU  63           HB2      GLU  63  -8.170  21.089 -10.060
  495    HB3  GLU  63           HB3      GLU  63  -8.842  19.693 -10.911
  496    HG2  GLU  63           HG2      GLU  63 -11.146  20.495 -10.368
  497    HG3  GLU  63           HG3      GLU  63 -10.452  21.892  -9.543
  498    H    MET  64           H        MET  64  -9.067  17.312  -9.980
  499    HA   MET  64           HA       MET  64 -11.876  17.018 -10.011
  500    HB2  MET  64           HB2      MET  64 -11.638  15.143 -11.281
  501    HB3  MET  64           HB3      MET  64 -10.193  16.064 -11.641
  502    HG2  MET  64           HG2      MET  64  -9.415  13.891 -11.472
  503    HG3  MET  64           HG3      MET  64  -9.009  14.602  -9.915
  504    HE1  MET  64           HE1      MET  64 -12.414  13.025 -11.313
  505    HE2  MET  64           HE2      MET  64 -11.133  11.908 -11.836
  506    HE3  MET  64           HE3      MET  64 -12.306  11.404 -10.605
  507    H    GLY  65           H        GLY  65  -9.496  15.629  -7.714
  508    HA2  GLY  65           HA2      GLY  65 -10.850  15.645  -5.454
  509    HA3  GLY  65           HA3      GLY  65 -11.734  14.328  -6.229
  510    H    TYR  66           H        TYR  66  -8.169  15.032  -6.259
  511    HA   TYR  66           HA       TYR  66  -7.380  12.396  -5.831
  512    HB2  TYR  66           HB2      TYR  66  -5.259  13.166  -5.550
  513    HB3  TYR  66           HB3      TYR  66  -5.951  14.448  -6.501
  514    HD1  TYR  66           HD1      TYR  66  -7.271  16.189  -4.428
  515    HD2  TYR  66           HD2      TYR  66  -3.538  14.017  -4.251
  516    HE1  TYR  66           HE1      TYR  66  -6.418  17.793  -2.771
  517    HE2  TYR  66           HE2      TYR  66  -2.700  15.592  -2.556
  518    HH   TYR  66           HH       TYR  66  -4.630  18.398  -1.398
  519    H    THR  67           H        THR  67  -6.440  11.304  -3.984
  520    HA   THR  67           HA       THR  67  -6.870  12.516  -1.316
  521    HB   THR  67           HB       THR  67  -7.477  10.156  -0.517
  522    HG1  THR  67           HG1      THR  67  -8.464   8.869  -2.090
  523   HG21  THR  67          HG21      THR  67  -9.127  12.042  -0.663
  524   HG22  THR  67          HG22      THR  67  -9.539  11.510  -2.310
  525   HG23  THR  67          HG23      THR  67  -9.847  10.446  -0.923
  526    H    HIS  68           H        HIS  68  -5.136   9.978  -3.262
  527    HA   HIS  68           HA       HIS  68  -2.739  10.629  -1.645
  528    HB2  HIS  68           HB2      HIS  68  -4.006   8.567  -0.832
  529    HB3  HIS  68           HB3      HIS  68  -3.591   7.808  -2.366
  530    HD1  HIS  68           HD1      HIS  68  -2.457   6.042  -0.557
  531    HD2  HIS  68           HD2      HIS  68  -0.654   9.814  -1.014
  532    HE1  HIS  68           HE1      HIS  68  -0.079   5.827   0.381
  533    H    VAL  69           H        VAL  69  -3.393  11.641  -4.187
  534    HA   VAL  69           HA       VAL  69  -1.594  10.290  -6.112
  535    HB   VAL  69           HB       VAL  69  -3.090  12.940  -6.266
  536   HG11  VAL  69          HG11      VAL  69  -1.085  12.957  -7.719
  537   HG12  VAL  69          HG12      VAL  69  -1.634  11.451  -8.488
  538   HG13  VAL  69          HG13      VAL  69  -2.575  12.955  -8.640
  539   HG21  VAL  69          HG21      VAL  69  -4.635  11.845  -7.800
  540   HG22  VAL  69          HG22      VAL  69  -3.737  10.325  -7.706
  541   HG23  VAL  69          HG23      VAL  69  -4.622  10.926  -6.296
  542    H    GLU  70           H        GLU  70   0.504  10.961  -6.438
  543    HA   GLU  70           HA       GLU  70   1.497  13.435  -5.149
  544    HB2  GLU  70           HB2      GLU  70   1.973  11.511  -3.655
  545    HB3  GLU  70           HB3      GLU  70   2.743  10.645  -4.991
  546    HG2  GLU  70           HG2      GLU  70   4.506  12.348  -5.126
  547    HG3  GLU  70           HG3      GLU  70   3.690  13.334  -3.909
  548    H    ASN  71           H        ASN  71   3.168  14.397  -6.408
  549    HA   ASN  71           HA       ASN  71   3.577  13.281  -9.138
  550    HB2  ASN  71           HB2      ASN  71   3.137  15.617  -9.251
  551    HB3  ASN  71           HB3      ASN  71   4.193  15.969  -7.872
  552   HD21  ASN  71          HD22      ASN  71   4.851  13.887 -10.829
  553   HD22  ASN  71          HD21      ASN  71   6.225  14.850 -11.308
  554    H    ALA  72           H        ALA  72   5.037  11.655  -9.047
  555    HA   ALA  72           HA       ALA  72   7.017  11.396  -6.983
  556    HB1  ALA  72           HB1      ALA  72   6.755  10.058  -9.716
  557    HB2  ALA  72           HB2      ALA  72   7.896   9.571  -8.442
  558    HB3  ALA  72           HB3      ALA  72   6.156   9.454  -8.149
  559    H    GLY  73           H        GLY  73   7.060  12.848 -10.241
  560    HA2  GLY  73           HA2      GLY  73   8.844  14.803 -10.041
  561    HA3  GLY  73           HA3      GLY  73   9.944  13.409 -10.133
  562    H    GLY  74           H        GLY  74  10.722  13.494 -12.139
  563    HA2  GLY  74           HA2      GLY  74   8.849  13.044 -14.380
  564    HA3  GLY  74           HA3      GLY  74  10.215  14.160 -14.587
  565    H    LEU  75           H        LEU  75  10.180  11.976 -16.189
  566    HA   LEU  75           HA       LEU  75  11.219   9.575 -15.163
  567    HB2  LEU  75           HB2      LEU  75  10.166   9.960 -17.415
  568    HB3  LEU  75           HB3      LEU  75  11.564  10.847 -17.945
  569    HG   LEU  75           HG       LEU  75  11.291   8.498 -18.795
  570   HD11  LEU  75          HD11      LEU  75  13.969   8.835 -17.413
  571   HD12  LEU  75          HD12      LEU  75  13.586   7.993 -18.912
  572   HD13  LEU  75          HD13      LEU  75  13.469   9.750 -18.853
  573   HD21  LEU  75          HD21      LEU  75  12.209   7.635 -16.025
  574   HD22  LEU  75          HD22      LEU  75  10.581   7.414 -16.691
  575   HD23  LEU  75          HD23      LEU  75  11.950   6.597 -17.445
  576    H    LYS  76           H        LYS  76  12.852  12.474 -16.410
  577    HA   LYS  76           HA       LYS  76  15.538  11.525 -16.182
  578    HB2  LYS  76           HB2      LYS  76  16.147  13.846 -16.560
  579    HB3  LYS  76           HB3      LYS  76  14.846  13.375 -17.650
  580    HG2  LYS  76           HG2      LYS  76  13.192  14.496 -16.111
  581    HG3  LYS  76           HG3      LYS  76  14.533  15.043 -15.103
  582    HD2  LYS  76           HD2      LYS  76  14.106  15.760 -18.037
  583    HD3  LYS  76           HD3      LYS  76  13.700  16.785 -16.650
  584    HE2  LYS  76           HE2      LYS  76  16.099  16.804 -15.965
  585    HE3  LYS  76           HE3      LYS  76  16.506  15.829 -17.383
  586    HZ1  LYS  76           HZ1      LYS  76  15.345  18.554 -17.468
  587    HZ2  LYS  76           HZ2      LYS  76  16.893  18.169 -17.787
  588    HZ3  LYS  76           HZ3      LYS  76  15.713  17.649 -18.781
  589    H    ASP  77           H        ASP  77  13.413  11.978 -13.629
  590    HA   ASP  77           HA       ASP  77  15.545  12.984 -11.791
  591    HB2  ASP  77           HB2      ASP  77  13.932  14.746 -12.252
  592    HB3  ASP  77           HB3      ASP  77  12.594  13.671 -11.841
  593    H    ILE  78           H        ILE  78  12.510  10.902 -12.037
  594    HA   ILE  78           HA       ILE  78  12.761   9.792  -9.471
  595    HB   ILE  78           HB       ILE  78  11.754   8.742 -12.131
  596   HG12  ILE  78          HG12      ILE  78  10.159   9.554  -9.657
  597   HG13  ILE  78          HG13      ILE  78  10.737  10.780 -10.776
  598   HG21  ILE  78          HG21      ILE  78  11.366   7.421  -9.405
  599   HG22  ILE  78          HG22      ILE  78  10.470   7.006 -10.876
  600   HG23  ILE  78          HG23      ILE  78  12.204   6.730 -10.817
  601   HD11  ILE  78          HD11      ILE  78   8.571  10.269 -11.388
  602   HD12  ILE  78          HD12      ILE  78   9.631   9.596 -12.666
  603   HD13  ILE  78          HD13      ILE  78   8.854   8.520 -11.461
  604    H    ALA  79           H        ALA  79  13.800   8.039  -8.607
  605    HA   ALA  79           HA       ALA  79  16.088   6.853 -10.104
  606    HB1  ALA  79           HB1      ALA  79  15.938   7.660  -7.168
  607    HB2  ALA  79           HB2      ALA  79  17.287   6.808  -7.952
  608    HB3  ALA  79           HB3      ALA  79  16.884   8.465  -8.441
  609    H    MET  80           H        MET  80  14.519   5.290 -10.784
  610    HA   MET  80           HA       MET  80  14.076   3.075  -8.898
  611    HB2  MET  80           HB2      MET  80  11.927   4.383 -10.640
  612    HB3  MET  80           HB3      MET  80  11.779   2.771  -9.959
  613    HG2  MET  80           HG2      MET  80  11.904   3.664  -7.679
  614    HG3  MET  80           HG3      MET  80  12.129   5.294  -8.312
  615    HE1  MET  80           HE1      MET  80   8.161   2.898  -8.656
  616    HE2  MET  80           HE2      MET  80   9.553   2.500  -9.670
  617    HE3  MET  80           HE3      MET  80   9.644   2.273  -7.906
  618    HA   PRO  81           HA       PRO  81  15.285   0.708 -12.557
  619    HB2  PRO  81           HB2      PRO  81  12.745  -0.875 -12.128
  620    HB3  PRO  81           HB3      PRO  81  14.399  -1.474 -12.463
  621    HG2  PRO  81           HG2      PRO  81  13.412  -1.543  -9.941
  622    HG3  PRO  81           HG3      PRO  81  15.098  -0.997 -10.223
  623    HD2  PRO  81           HD2      PRO  81  12.628   0.686  -9.765
  624    HD3  PRO  81           HD3      PRO  81  14.266   0.868  -9.065
  625    H    LYS  82           H        LYS  82  14.843   0.757 -14.789
  626    HA   LYS  82           HA       LYS  82  12.224   1.745 -15.721
  627    HB2  LYS  82           HB2      LYS  82  14.939   2.977 -16.367
  628    HB3  LYS  82           HB3      LYS  82  13.465   3.329 -17.273
  629    HG2  LYS  82           HG2      LYS  82  12.442   4.455 -15.439
  630    HG3  LYS  82           HG3      LYS  82  13.606   3.807 -14.288
  631    HD2  LYS  82           HD2      LYS  82  15.418   5.110 -15.536
  632    HD3  LYS  82           HD3      LYS  82  14.094   5.969 -16.355
  633    HE2  LYS  82           HE2      LYS  82  13.173   6.597 -14.094
  634    HE3  LYS  82           HE3      LYS  82  14.475   5.678 -13.331
  635    HZ1  LYS  82           HZ1      LYS  82  14.734   8.209 -14.833
  636    HZ2  LYS  82           HZ2      LYS  82  15.095   7.920 -13.280
  637    HZ3  LYS  82           HZ3      LYS  82  16.042   7.269 -14.448
  638    H    VAL  83           H        VAL  83  11.761   1.031 -17.862
  639    HA   VAL  83           HA       VAL  83  13.669  -0.794 -19.191
  640    HB   VAL  83           HB       VAL  83  11.560  -2.277 -19.418
  641   HG11  VAL  83          HG11      VAL  83  12.938  -2.181 -16.701
  642   HG12  VAL  83          HG12      VAL  83  12.116  -3.578 -17.423
  643   HG13  VAL  83          HG13      VAL  83  13.593  -2.946 -18.164
  644   HG21  VAL  83          HG21      VAL  83   9.942  -2.310 -17.642
  645   HG22  VAL  83          HG22      VAL  83  10.751  -0.982 -16.790
  646   HG23  VAL  83          HG23      VAL  83   9.951  -0.686 -18.347
  647    H    LYS  84           H        LYS  84  13.028  -1.186 -21.450
  648    HA   LYS  84           HA       LYS  84  11.931   1.219 -22.680
  649    HB2  LYS  84           HB2      LYS  84  12.774  -1.427 -23.944
  650    HB3  LYS  84           HB3      LYS  84  12.354   0.069 -24.794
  651    HG2  LYS  84           HG2      LYS  84  14.193   1.181 -23.330
  652    HG3  LYS  84           HG3      LYS  84  14.753  -0.449 -22.996
  653    HD2  LYS  84           HD2      LYS  84  15.269  -0.867 -25.290
  654    HD3  LYS  84           HD3      LYS  84  14.373   0.550 -25.857
  655    HE2  LYS  84           HE2      LYS  84  16.790   0.744 -24.013
  656    HE3  LYS  84           HE3      LYS  84  16.927   0.773 -25.774
  657    HZ1  LYS  84           HZ1      LYS  84  15.649   2.762 -25.854
  658    HZ2  LYS  84           HZ2      LYS  84  15.264   2.721 -24.266
  659    HZ3  LYS  84           HZ3      LYS  84  16.812   3.002 -24.741
  660    H    GLY  85           H        GLY  85  10.140   1.251 -24.166
  661    HA2  GLY  85           HA2      GLY  85   7.719  -0.021 -23.256
  662    HA3  GLY  85           HA3      GLY  85   7.935   0.827 -24.781
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1  -0.714   1.439  -0.514
    2    H2   ALA   1           H2       ALA   1  -1.944   1.278  -1.580
    3    H3   ALA   1           H3       ALA   1  -1.466  -0.021  -0.671
    4    HA   ALA   1           HA       ALA   1   0.668  -0.024  -1.781
    5    HB1  ALA   1           HB1      ALA   1  -0.071  -0.892  -3.933
    6    HB2  ALA   1           HB2      ALA   1  -1.202  -1.418  -2.685
    7    HB3  ALA   1           HB3      ALA   1  -1.644  -0.084  -3.774
    8    H    GLU   2           H        GLU   2   0.986   0.708  -4.514
    9    HA   GLU   2           HA       GLU   2   0.905   3.649  -4.593
   10    HB2  GLU   2           HB2      GLU   2   3.439   1.970  -4.927
   11    HB3  GLU   2           HB3      GLU   2   3.303   3.682  -5.327
   12    HG2  GLU   2           HG2      GLU   2   2.945   4.260  -2.979
   13    HG3  GLU   2           HG3      GLU   2   2.947   2.554  -2.518
   14    H    HIS   3           H        HIS   3   0.722   4.394  -6.683
   15    HA   HIS   3           HA       HIS   3   1.176   2.532  -8.961
   16    HB2  HIS   3           HB2      HIS   3  -1.237   4.324  -8.446
   17    HB3  HIS   3           HB3      HIS   3  -0.794   3.713 -10.038
   18    HD1  HIS   3           HD1      HIS   3  -2.121   2.330  -6.649
   19    HD2  HIS   3           HD2      HIS   3  -1.390   1.233 -10.666
   20    HE1  HIS   3           HE1      HIS   3  -3.213   0.071  -6.992
   21    H    TRP   4           H        TRP   4   2.938   3.430  -9.909
   22    HA   TRP   4           HA       TRP   4   3.351   6.335  -9.968
   23    HB2  TRP   4           HB2      TRP   4   4.758   4.102 -11.471
   24    HB3  TRP   4           HB3      TRP   4   5.258   5.782 -11.415
   25    HD1  TRP   4           HD1      TRP   4   5.218   2.586  -9.342
   26    HE1  TRP   4           HE1      TRP   4   6.863   2.767  -7.406
   27    HE3  TRP   4           HE3      TRP   4   6.474   7.529  -9.828
   28    HZ2  TRP   4           HZ2      TRP   4   8.536   4.808  -6.198
   29    HZ3  TRP   4           HZ3      TRP   4   8.120   8.552  -8.279
   30    HH2  TRP   4           HH2      TRP   4   9.150   7.211  -6.464
   31    H    ILE   5           H        ILE   5   3.020   7.565 -12.000
   32    HA   ILE   5           HA       ILE   5   1.528   6.107 -14.126
   33    HB   ILE   5           HB       ILE   5   0.599   8.800 -13.157
   34   HG12  ILE   5          HG12      ILE   5   0.253   7.255 -11.213
   35   HG13  ILE   5          HG13      ILE   5  -1.163   8.041 -11.867
   36   HG21  ILE   5          HG21      ILE   5  -0.034   8.095 -15.431
   37   HG22  ILE   5          HG22      ILE   5  -0.719   6.599 -14.804
   38   HG23  ILE   5          HG23      ILE   5  -1.463   8.162 -14.385
   39   HD11  ILE   5          HD11      ILE   5  -2.000   6.040 -12.854
   40   HD12  ILE   5          HD12      ILE   5  -0.484   5.165 -12.573
   41   HD13  ILE   5          HD13      ILE   5  -1.503   5.651 -11.204
   42    H    ASP   6           H        ASP   6   2.121   6.729 -16.113
   43    HA   ASP   6           HA       ASP   6   4.187   8.844 -16.445
   44    HB2  ASP   6           HB2      ASP   6   4.699   6.556 -17.207
   45    HB3  ASP   6           HB3      ASP   6   3.262   6.517 -18.189
   46    H    VAL   7           H        VAL   7   2.891  10.701 -16.442
   47    HA   VAL   7           HA       VAL   7   0.330  10.583 -17.900
   48    HB   VAL   7           HB       VAL   7  -0.350  12.556 -16.618
   49   HG11  VAL   7          HG11      VAL   7  -0.798  10.304 -15.763
   50   HG12  VAL   7          HG12      VAL   7   0.745  10.332 -14.870
   51   HG13  VAL   7          HG13      VAL   7  -0.553  11.472 -14.460
   52   HG21  VAL   7          HG21      VAL   7   1.913  13.581 -16.255
   53   HG22  VAL   7          HG22      VAL   7   1.020  13.335 -14.745
   54   HG23  VAL   7          HG23      VAL   7   2.327  12.234 -15.167
   55    H    ARG   8           H        ARG   8   2.461  10.798 -19.704
   56    HA   ARG   8           HA       ARG   8   1.918  13.431 -20.935
   57    HB2  ARG   8           HB2      ARG   8   3.556  14.127 -19.564
   58    HB3  ARG   8           HB3      ARG   8   4.452  12.649 -19.550
   59    HG2  ARG   8           HG2      ARG   8   4.435  14.504 -21.965
   60    HG3  ARG   8           HG3      ARG   8   5.461  14.784 -20.584
   61    HD2  ARG   8           HD2      ARG   8   5.624  12.441 -22.484
   62    HD3  ARG   8           HD3      ARG   8   6.765  13.750 -22.209
   63    HE   ARG   8           HE       ARG   8   7.556  12.734 -20.283
   64   HH11  ARG   8          HH21      ARG   8   5.235  10.548 -21.899
   65   HH12  ARG   8          HH22      ARG   8   5.185   9.429 -20.577
   66   HH21  ARG   8          HH11      ARG   8   7.669  11.038 -18.643
   67   HH22  ARG   8          HH12      ARG   8   6.702   9.603 -18.897
   68    H    VAL   9           H        VAL   9   3.445  13.405 -23.114
   69    HA   VAL   9           HA       VAL   9   2.080  11.592 -24.673
   70    HB   VAL   9           HB       VAL   9   3.701  12.095 -26.490
   71   HG11  VAL   9          HG11      VAL   9   3.089  14.470 -26.662
   72   HG12  VAL   9          HG12      VAL   9   1.731  13.522 -26.041
   73   HG13  VAL   9          HG13      VAL   9   2.690  14.527 -24.934
   74   HG21  VAL   9          HG21      VAL   9   5.116  13.906 -24.475
   75   HG22  VAL   9          HG22      VAL   9   5.786  12.394 -25.134
   76   HG23  VAL   9          HG23      VAL   9   5.451  13.757 -26.205
   77    HA   PRO  10           HA       PRO  10   4.002   7.752 -24.141
   78    HB2  PRO  10           HB2      PRO  10   3.202   6.372 -26.339
   79    HB3  PRO  10           HB3      PRO  10   2.045   6.992 -25.108
   80    HG2  PRO  10           HG2      PRO  10   2.835   8.269 -27.748
   81    HG3  PRO  10           HG3      PRO  10   1.174   7.927 -27.147
   82    HD2  PRO  10           HD2      PRO  10   2.305  10.356 -26.813
   83    HD3  PRO  10           HD3      PRO  10   1.325   9.622 -25.507
   84    H    GLU  11           H        GLU  11   5.127   9.642 -26.819
   85    HA   GLU  11           HA       GLU  11   6.657   7.911 -28.291
   86    HB2  GLU  11           HB2      GLU  11   6.174  10.353 -28.692
   87    HB3  GLU  11           HB3      GLU  11   7.378  10.759 -27.472
   88    HG2  GLU  11           HG2      GLU  11   8.384  11.017 -29.611
   89    HG3  GLU  11           HG3      GLU  11   9.117   9.607 -28.859
   90    H    GLN  12           H        GLN  12   7.617   9.515 -25.220
   91    HA   GLN  12           HA       GLN  12  10.257   8.343 -25.237
   92    HB2  GLN  12           HB2      GLN  12  10.565   9.279 -23.086
   93    HB3  GLN  12           HB3      GLN  12   9.723  10.444 -24.086
   94    HG2  GLN  12           HG2      GLN  12   8.300  10.713 -22.403
   95    HG3  GLN  12           HG3      GLN  12   7.588   9.165 -22.790
   96   HE21  GLN  12          HE22      GLN  12   7.655   7.600 -21.046
   97   HE22  GLN  12          HE21      GLN  12   8.705   7.739 -19.681
   98    H    TYR  13           H        TYR  13   7.117   7.327 -23.932
   99    HA   TYR  13           HA       TYR  13   7.970   5.362 -22.114
  100    HB2  TYR  13           HB2      TYR  13   5.695   6.430 -22.351
  101    HB3  TYR  13           HB3      TYR  13   5.434   5.491 -23.801
  102    HD1  TYR  13           HD2      TYR  13   5.077   3.031 -23.719
  103    HD2  TYR  13           HD1      TYR  13   5.281   5.495 -20.187
  104    HE1  TYR  13           HE2      TYR  13   3.776   1.340 -22.473
  105    HE2  TYR  13           HE1      TYR  13   4.001   3.796 -18.918
  106    HH   TYR  13           HH       TYR  13   2.772   0.783 -20.448
  107    H    GLN  14           H        GLN  14   7.747   5.333 -25.631
  108    HA   GLN  14           HA       GLN  14   7.849   2.501 -26.005
  109    HB2  GLN  14           HB2      GLN  14   9.007   4.607 -27.872
  110    HB3  GLN  14           HB3      GLN  14   8.493   2.971 -28.272
  111    HG2  GLN  14           HG2      GLN  14   6.799   5.393 -27.655
  112    HG3  GLN  14           HG3      GLN  14   6.812   4.418 -29.106
  113   HE21  GLN  14          HE22      GLN  14   5.127   5.031 -26.258
  114   HE22  GLN  14          HE21      GLN  14   4.147   3.571 -26.208
  115    H    GLN  15           H        GLN  15  10.473   4.996 -25.703
  116    HA   GLN  15           HA       GLN  15  12.500   2.949 -26.178
  117    HB2  GLN  15           HB2      GLN  15  14.140   4.715 -25.645
  118    HB3  GLN  15           HB3      GLN  15  13.091   5.046 -27.015
  119    HG2  GLN  15           HG2      GLN  15  11.800   6.652 -25.755
  120    HG3  GLN  15           HG3      GLN  15  12.663   6.255 -24.257
  121   HE21  GLN  15          HE22      GLN  15  14.966   6.769 -24.118
  122   HE22  GLN  15          HE21      GLN  15  15.620   8.101 -25.074
  123    H    GLU  16           H        GLU  16  11.281   4.753 -23.261
  124    HA   GLU  16           HA       GLU  16  11.494   2.360 -21.806
  125    HB2  GLU  16           HB2      GLU  16  12.994   3.032 -19.992
  126    HB3  GLU  16           HB3      GLU  16  13.838   2.733 -21.480
  127    HG2  GLU  16           HG2      GLU  16  13.118   5.597 -21.093
  128    HG3  GLU  16           HG3      GLU  16  14.123   4.937 -19.811
  129    H    HIS  17           H        HIS  17  10.387   2.453 -19.800
  130    HA   HIS  17           HA       HIS  17   9.482   5.049 -18.764
  131    HB2  HIS  17           HB2      HIS  17   7.145   4.237 -18.604
  132    HB3  HIS  17           HB3      HIS  17   7.673   4.464 -20.259
  133    HD1  HIS  17           HD1      HIS  17   7.893   2.195 -21.773
  134    HD2  HIS  17           HD2      HIS  17   6.451   1.767 -17.842
  135    HE1  HIS  17           HE1      HIS  17   6.955  -0.172 -21.586
  136    H    VAL  18           H        VAL  18   8.542   4.758 -16.588
  137    HA   VAL  18           HA       VAL  18  10.116   3.160 -14.842
  138    HB   VAL  18           HB       VAL  18   7.543   4.754 -14.684
  139   HG11  VAL  18          HG11      VAL  18   7.321   3.053 -12.884
  140   HG12  VAL  18          HG12      VAL  18   8.949   3.472 -12.305
  141   HG13  VAL  18          HG13      VAL  18   7.630   4.645 -12.208
  142   HG21  VAL  18          HG21      VAL  18  10.348   5.200 -13.586
  143   HG22  VAL  18          HG22      VAL  18   9.558   6.053 -14.939
  144   HG23  VAL  18          HG23      VAL  18   8.947   6.261 -13.306
  145    H    GLN  19           H        GLN  19   9.965   1.037 -14.342
  146    HA   GLN  19           HA       GLN  19   8.212  -0.656 -15.740
  147    HB2  GLN  19           HB2      GLN  19  10.442  -1.233 -14.848
  148    HB3  GLN  19           HB3      GLN  19   9.821  -1.208 -13.201
  149    HG2  GLN  19           HG2      GLN  19   8.446  -3.034 -15.174
  150    HG3  GLN  19           HG3      GLN  19  10.094  -3.436 -14.724
  151   HE21  GLN  19          HE22      GLN  19   6.804  -2.950 -13.368
  152   HE22  GLN  19          HE21      GLN  19   7.101  -3.894 -11.919
  153    H    GLY  20           H        GLY  20   7.755   0.910 -12.622
  154    HA2  GLY  20           HA2      GLY  20   5.364  -0.691 -11.985
  155    HA3  GLY  20           HA3      GLY  20   6.124   0.552 -10.989
  156    H    ALA  21           H        ALA  21   5.527   1.430 -14.356
  157    HA   ALA  21           HA       ALA  21   3.164   3.022 -13.504
  158    HB1  ALA  21           HB1      ALA  21   5.370   3.999 -15.364
  159    HB2  ALA  21           HB2      ALA  21   4.003   4.940 -14.748
  160    HB3  ALA  21           HB3      ALA  21   5.276   4.414 -13.640
  161    H    ILE  22           H        ILE  22   2.084   4.025 -15.397
  162    HA   ILE  22           HA       ILE  22   1.848   2.344 -17.791
  163    HB   ILE  22           HB       ILE  22  -0.674   2.422 -17.429
  164   HG12  ILE  22          HG12      ILE  22   0.076   2.907 -14.500
  165   HG13  ILE  22          HG13      ILE  22  -0.724   4.070 -15.554
  166   HG21  ILE  22          HG21      ILE  22   0.840   0.665 -15.456
  167   HG22  ILE  22          HG22      ILE  22  -0.699   0.310 -16.266
  168   HG23  ILE  22          HG23      ILE  22   0.786   0.385 -17.210
  169   HD11  ILE  22          HD11      ILE  22  -2.657   2.503 -15.783
  170   HD12  ILE  22          HD12      ILE  22  -1.863   1.401 -14.630
  171   HD13  ILE  22          HD13      ILE  22  -2.347   3.014 -14.110
  172    H    ASN  23           H        ASN  23   1.103   3.565 -19.559
  173    HA   ASN  23           HA       ASN  23   1.516   6.439 -19.303
  174    HB2  ASN  23           HB2      ASN  23   2.425   5.255 -21.238
  175    HB3  ASN  23           HB3      ASN  23   0.802   4.738 -21.712
  176   HD21  ASN  23          HD22      ASN  23   2.670   7.800 -20.920
  177   HD22  ASN  23          HD21      ASN  23   1.831   8.776 -22.078
  178    H    ILE  24           H        ILE  24  -0.037   7.794 -18.714
  179    HA   ILE  24           HA       ILE  24  -2.842   7.433 -19.634
  180    HB   ILE  24           HB       ILE  24  -2.063   8.118 -16.777
  181   HG12  ILE  24          HG12      ILE  24  -1.610   5.714 -17.145
  182   HG13  ILE  24          HG13      ILE  24  -2.845   6.044 -15.959
  183   HG21  ILE  24          HG21      ILE  24  -4.460   7.958 -16.285
  184   HG22  ILE  24          HG22      ILE  24  -4.172   9.157 -17.561
  185   HG23  ILE  24          HG23      ILE  24  -4.787   7.565 -17.984
  186   HD11  ILE  24          HD11      ILE  24  -3.321   4.094 -17.471
  187   HD12  ILE  24          HD12      ILE  24  -4.608   5.305 -17.422
  188   HD13  ILE  24          HD13      ILE  24  -3.508   5.234 -18.813
  189    HA   PRO  25           HA       PRO  25  -0.409  11.303 -20.522
  190    HB2  PRO  25           HB2      PRO  25  -2.556  11.544 -22.635
  191    HB3  PRO  25           HB3      PRO  25  -0.805  11.914 -22.760
  192    HG2  PRO  25           HG2      PRO  25  -1.767   9.589 -23.750
  193    HG3  PRO  25           HG3      PRO  25  -0.247   9.593 -22.795
  194    HD2  PRO  25           HD2      PRO  25  -3.048   8.888 -21.873
  195    HD3  PRO  25           HD3      PRO  25  -1.521   8.017 -21.571
  196    H    LEU  26           H        LEU  26  -0.732  13.465 -19.990
  197    HA   LEU  26           HA       LEU  26  -2.619  14.458 -18.351
  198    HB2  LEU  26           HB2      LEU  26  -0.535  15.583 -18.976
  199    HB3  LEU  26           HB3      LEU  26  -1.133  15.856 -20.612
  200    HG   LEU  26           HG       LEU  26  -2.872  17.406 -19.724
  201   HD11  LEU  26          HD11      LEU  26  -3.114  16.467 -17.442
  202   HD12  LEU  26          HD12      LEU  26  -1.453  16.968 -17.062
  203   HD13  LEU  26          HD13      LEU  26  -2.712  18.185 -17.382
  204   HD21  LEU  26          HD21      LEU  26  -1.328  19.229 -19.160
  205   HD22  LEU  26          HD22      LEU  26  -0.029  18.052 -18.854
  206   HD23  LEU  26          HD23      LEU  26  -0.693  18.250 -20.492
  207    H    LYS  27           H        LYS  27  -2.975  14.273 -21.891
  208    HA   LYS  27           HA       LYS  27  -5.288  15.899 -22.153
  209    HB2  LYS  27           HB2      LYS  27  -4.352  13.548 -23.863
  210    HB3  LYS  27           HB3      LYS  27  -5.573  14.741 -24.325
  211    HG2  LYS  27           HG2      LYS  27  -3.863  16.556 -24.130
  212    HG3  LYS  27           HG3      LYS  27  -2.646  15.348 -23.710
  213    HD2  LYS  27           HD2      LYS  27  -2.379  15.904 -26.024
  214    HD3  LYS  27           HD3      LYS  27  -2.979  14.242 -25.916
  215    HE2  LYS  27           HE2      LYS  27  -5.278  15.040 -26.435
  216    HE3  LYS  27           HE3      LYS  27  -4.695  16.708 -26.483
  217    HZ1  LYS  27           HZ1      LYS  27  -4.873  15.766 -28.695
  218    HZ2  LYS  27           HZ2      LYS  27  -3.312  16.100 -28.381
  219    HZ3  LYS  27           HZ3      LYS  27  -3.847  14.555 -28.335
  220    H    GLU  28           H        GLU  28  -5.019  12.701 -20.783
  221    HA   GLU  28           HA       GLU  28  -7.959  12.249 -21.105
  222    HB2  GLU  28           HB2      GLU  28  -5.717  10.195 -21.020
  223    HB3  GLU  28           HB3      GLU  28  -7.442   9.885 -21.268
  224    HG2  GLU  28           HG2      GLU  28  -7.322  11.237 -23.392
  225    HG3  GLU  28           HG3      GLU  28  -5.568  11.343 -23.185
  226    H    VAL  29           H        VAL  29  -5.141  12.191 -18.974
  227    HA   VAL  29           HA       VAL  29  -5.760  10.653 -16.954
  228    HB   VAL  29           HB       VAL  29  -3.797  12.345 -17.366
  229   HG11  VAL  29          HG11      VAL  29  -3.680  14.282 -16.003
  230   HG12  VAL  29          HG12      VAL  29  -5.132  14.420 -16.999
  231   HG13  VAL  29          HG13      VAL  29  -5.267  13.977 -15.279
  232   HG21  VAL  29          HG21      VAL  29  -3.630  10.599 -15.750
  233   HG22  VAL  29          HG22      VAL  29  -3.068  12.095 -15.000
  234   HG23  VAL  29          HG23      VAL  29  -4.686  11.459 -14.621
  235    H    LYS  30           H        LYS  30  -7.502  13.728 -17.429
  236    HA   LYS  30           HA       LYS  30  -8.659  13.986 -14.888
  237    HB2  LYS  30           HB2      LYS  30  -8.770  15.656 -16.756
  238    HB3  LYS  30           HB3      LYS  30  -9.957  14.632 -17.575
  239    HG2  LYS  30           HG2      LYS  30 -11.549  14.918 -15.739
  240    HG3  LYS  30           HG3      LYS  30 -10.336  15.772 -14.766
  241    HD2  LYS  30           HD2      LYS  30 -10.271  17.594 -16.441
  242    HD3  LYS  30           HD3      LYS  30 -11.474  16.731 -17.429
  243    HE2  LYS  30           HE2      LYS  30 -13.089  16.836 -15.535
  244    HE3  LYS  30           HE3      LYS  30 -11.895  17.705 -14.563
  245    HZ1  LYS  30           HZ1      LYS  30 -13.090  18.702 -17.087
  246    HZ2  LYS  30           HZ2      LYS  30 -13.468  19.216 -15.590
  247    HZ3  LYS  30           HZ3      LYS  30 -11.983  19.507 -16.191
  248    H    GLU  31           H        GLU  31  -9.640  11.792 -17.518
  249    HA   GLU  31           HA       GLU  31 -11.769  10.718 -15.682
  250    HB2  GLU  31           HB2      GLU  31 -11.563  10.639 -18.718
  251    HB3  GLU  31           HB3      GLU  31 -12.766   9.769 -17.754
  252    HG2  GLU  31           HG2      GLU  31 -13.568  11.942 -16.817
  253    HG3  GLU  31           HG3      GLU  31 -12.427  12.801 -17.854
  254    H    ARG  32           H        ARG  32  -9.047   9.931 -17.867
  255    HA   ARG  32           HA       ARG  32  -9.314   7.116 -17.605
  256    HB2  ARG  32           HB2      ARG  32  -8.204   8.504 -19.431
  257    HB3  ARG  32           HB3      ARG  32  -6.810   8.671 -18.359
  258    HG2  ARG  32           HG2      ARG  32  -6.598   6.174 -18.342
  259    HG3  ARG  32           HG3      ARG  32  -8.015   6.053 -19.392
  260    HD2  ARG  32           HD2      ARG  32  -6.866   7.178 -21.208
  261    HD3  ARG  32           HD3      ARG  32  -5.494   7.591 -20.168
  262    HE   ARG  32           HE       ARG  32  -6.002   4.745 -20.206
  263   HH11  ARG  32          HH11      ARG  32  -4.659   7.194 -22.420
  264   HH12  ARG  32          HH12      ARG  32  -3.325   6.193 -22.894
  265   HH21  ARG  32          HH21      ARG  32  -4.348   3.382 -21.000
  266   HH22  ARG  32          HH22      ARG  32  -3.184   3.982 -22.114
  267    H    ILE  33           H        ILE  33  -7.971   9.419 -15.316
  268    HA   ILE  33           HA       ILE  33  -6.273   7.632 -13.928
  269    HB   ILE  33           HB       ILE  33  -6.414  10.063 -13.497
  270   HG12  ILE  33          HG12      ILE  33  -6.287   9.927 -10.980
  271   HG13  ILE  33          HG13      ILE  33  -6.747   8.242 -11.096
  272   HG21  ILE  33          HG21      ILE  33  -8.167  11.035 -12.111
  273   HG22  ILE  33          HG22      ILE  33  -8.915  10.318 -13.532
  274   HG23  ILE  33          HG23      ILE  33  -8.995   9.478 -11.977
  275   HD11  ILE  33          HD11      ILE  33  -4.719   7.733 -12.394
  276   HD12  ILE  33          HD12      ILE  33  -4.289   9.455 -12.425
  277   HD13  ILE  33          HD13      ILE  33  -4.304   8.559 -10.891
  278    H    ALA  34           H        ALA  34  -9.854   7.776 -14.094
  279    HA   ALA  34           HA       ALA  34 -10.347   6.295 -11.712
  280    HB1  ALA  34           HB1      ALA  34 -12.086   7.582 -12.919
  281    HB2  ALA  34           HB2      ALA  34 -12.000   6.429 -14.274
  282    HB3  ALA  34           HB3      ALA  34 -12.567   5.890 -12.682
  283    H    THR  35           H        THR  35  -9.771   5.233 -15.110
  284    HA   THR  35           HA       THR  35  -9.998   2.426 -14.503
  285    HB   THR  35           HB       THR  35  -8.580   2.468 -16.802
  286    HG1  THR  35           HG1      THR  35  -8.318   4.798 -16.735
  287   HG21  THR  35          HG21      THR  35 -10.883   1.631 -16.560
  288   HG22  THR  35          HG22      THR  35 -11.507   3.296 -16.551
  289   HG23  THR  35          HG23      THR  35 -10.732   2.635 -18.011
  290    H    ALA  36           H        ALA  36  -7.298   4.780 -14.459
  291    HA   ALA  36           HA       ALA  36  -5.224   2.817 -14.283
  292    HB1  ALA  36           HB1      ALA  36  -4.907   5.174 -15.019
  293    HB2  ALA  36           HB2      ALA  36  -5.238   5.718 -13.361
  294    HB3  ALA  36           HB3      ALA  36  -3.814   4.728 -13.692
  295    H    VAL  37           H        VAL  37  -6.960   4.729 -11.771
  296    HA   VAL  37           HA       VAL  37  -6.072   2.865  -9.660
  297    HB   VAL  37           HB       VAL  37  -5.867   5.796  -9.191
  298   HG11  VAL  37          HG11      VAL  37  -6.026   4.218  -7.275
  299   HG12  VAL  37          HG12      VAL  37  -4.570   3.388  -7.856
  300   HG13  VAL  37          HG13      VAL  37  -4.483   5.076  -7.309
  301   HG21  VAL  37          HG21      VAL  37  -3.402   5.645  -9.411
  302   HG22  VAL  37          HG22      VAL  37  -3.578   4.032 -10.130
  303   HG23  VAL  37          HG23      VAL  37  -4.220   5.473 -10.958
  304    HA   PRO  38           HA       PRO  38 -10.604   3.703  -9.572
  305    HB2  PRO  38           HB2      PRO  38 -10.444   1.092  -8.065
  306    HB3  PRO  38           HB3      PRO  38 -11.646   1.623  -9.282
  307    HG2  PRO  38           HG2      PRO  38  -9.666  -0.106  -9.961
  308    HG3  PRO  38           HG3      PRO  38 -10.119   1.229 -11.070
  309    HD2  PRO  38           HD2      PRO  38  -7.789   1.099  -9.143
  310    HD3  PRO  38           HD3      PRO  38  -7.834   1.678 -10.836
  311    H    ASP  39           H        ASP  39  -8.514   2.530  -6.871
  312    HA   ASP  39           HA       ASP  39 -10.217   3.776  -4.816
  313    HB2  ASP  39           HB2      ASP  39  -9.090   1.688  -4.276
  314    HB3  ASP  39           HB3      ASP  39  -7.514   2.390  -4.654
  315    H    LYS  40           H        LYS  40 -10.269   5.925  -5.108
  316    HA   LYS  40           HA       LYS  40  -8.089   7.430  -6.043
  317    HB2  LYS  40           HB2      LYS  40 -10.391   8.557  -4.441
  318    HB3  LYS  40           HB3      LYS  40  -9.396   9.357  -5.679
  319    HG2  LYS  40           HG2      LYS  40 -10.368   7.670  -7.346
  320    HG3  LYS  40           HG3      LYS  40 -11.547   7.257  -6.105
  321    HD2  LYS  40           HD2      LYS  40 -11.089  10.008  -7.334
  322    HD3  LYS  40           HD3      LYS  40 -12.429   8.936  -7.705
  323    HE2  LYS  40           HE2      LYS  40 -11.885  10.201  -4.973
  324    HE3  LYS  40           HE3      LYS  40 -12.990  10.846  -6.184
  325    HZ1  LYS  40           HZ1      LYS  40 -13.307   8.219  -4.848
  326    HZ2  LYS  40           HZ2      LYS  40 -14.183   9.558  -4.556
  327    HZ3  LYS  40           HZ3      LYS  40 -14.306   8.817  -5.998
  328    H    ASN  41           H        ASN  41  -8.294   6.097  -2.948
  329    HA   ASN  41           HA       ASN  41  -6.699   8.300  -1.725
  330    HB2  ASN  41           HB2      ASN  41  -8.738   7.555  -0.510
  331    HB3  ASN  41           HB3      ASN  41  -8.087   5.912  -0.448
  332   HD21  ASN  41          HD22      ASN  41  -7.091   9.306   0.383
  333   HD22  ASN  41          HD21      ASN  41  -6.377   8.870   1.922
  334    H    ASP  42           H        ASP  42  -6.234   5.400  -3.428
  335    HA   ASP  42           HA       ASP  42  -3.951   4.380  -1.935
  336    HB2  ASP  42           HB2      ASP  42  -5.276   3.031  -3.599
  337    HB3  ASP  42           HB3      ASP  42  -4.622   4.058  -4.887
  338    H    THR  43           H        THR  43  -1.662   4.709  -2.584
  339    HA   THR  43           HA       THR  43  -1.138   7.462  -3.021
  340    HB   THR  43           HB       THR  43   0.954   5.319  -3.385
  341    HG1  THR  43           HG1      THR  43   0.241   4.484  -1.646
  342   HG21  THR  43          HG21      THR  43   1.652   7.680  -3.539
  343   HG22  THR  43          HG22      THR  43   0.994   7.985  -1.920
  344   HG23  THR  43          HG23      THR  43   2.366   6.875  -2.130
  345    H    VAL  44           H        VAL  44  -0.687   8.624  -4.878
  346    HA   VAL  44           HA       VAL  44  -0.314   7.101  -7.421
  347    HB   VAL  44           HB       VAL  44  -1.796   9.747  -7.140
  348   HG11  VAL  44          HG11      VAL  44  -0.694   9.382  -9.338
  349   HG12  VAL  44          HG12      VAL  44  -1.504   7.800  -9.470
  350   HG13  VAL  44          HG13      VAL  44  -2.448   9.301  -9.484
  351   HG21  VAL  44          HG21      VAL  44  -3.267   8.131  -6.164
  352   HG22  VAL  44          HG22      VAL  44  -3.835   8.402  -7.809
  353   HG23  VAL  44          HG23      VAL  44  -2.908   6.932  -7.426
  354    H    LYS  45           H        LYS  45   1.555   7.633  -8.452
  355    HA   LYS  45           HA       LYS  45   2.989  10.125  -7.605
  356    HB2  LYS  45           HB2      LYS  45   4.123   7.324  -7.911
  357    HB3  LYS  45           HB3      LYS  45   5.098   8.807  -7.859
  358    HG2  LYS  45           HG2      LYS  45   4.132   9.386  -5.655
  359    HG3  LYS  45           HG3      LYS  45   3.191   7.883  -5.662
  360    HD2  LYS  45           HD2      LYS  45   5.236   6.546  -5.661
  361    HD3  LYS  45           HD3      LYS  45   6.232   8.016  -5.795
  362    HE2  LYS  45           HE2      LYS  45   5.440   8.826  -3.632
  363    HE3  LYS  45           HE3      LYS  45   4.317   7.465  -3.489
  364    HZ1  LYS  45           HZ1      LYS  45   7.260   7.160  -3.590
  365    HZ2  LYS  45           HZ2      LYS  45   6.367   7.137  -2.222
  366    HZ3  LYS  45           HZ3      LYS  45   6.147   5.964  -3.340
  367    H    VAL  46           H        VAL  46   2.279  11.281  -9.367
  368    HA   VAL  46           HA       VAL  46   2.448  10.118 -12.050
  369    HB   VAL  46           HB       VAL  46   1.724  12.306 -12.817
  370   HG11  VAL  46          HG11      VAL  46  -0.518  12.323 -11.872
  371   HG12  VAL  46          HG12      VAL  46   0.020  10.650 -12.051
  372   HG13  VAL  46          HG13      VAL  46   0.021  11.414 -10.450
  373   HG21  VAL  46          HG21      VAL  46   2.813  13.764 -11.097
  374   HG22  VAL  46          HG22      VAL  46   1.108  14.126 -11.380
  375   HG23  VAL  46          HG23      VAL  46   1.588  13.239  -9.924
  376    H    TYR  47           H        TYR  47   3.934  10.856 -13.708
  377    HA   TYR  47           HA       TYR  47   5.929  12.836 -13.055
  378    HB2  TYR  47           HB2      TYR  47   7.872  11.515 -13.431
  379    HB3  TYR  47           HB3      TYR  47   6.937  10.619 -12.268
  380    HD1  TYR  47           HD1      TYR  47   8.135  10.735 -15.742
  381    HD2  TYR  47           HD2      TYR  47   5.900   8.449 -12.859
  382    HE1  TYR  47           HE1      TYR  47   8.247   8.775 -17.238
  383    HE2  TYR  47           HE2      TYR  47   6.038   6.470 -14.339
  384    HH   TYR  47           HH       TYR  47   7.277   6.696 -17.647
  385    H    CYS  48           H        CYS  48   7.020  13.548 -15.081
  386    HA   CYS  48           HA       CYS  48   5.735  12.569 -17.573
  387    HB2  CYS  48           HB2      CYS  48   5.255  14.784 -18.329
  388    HB3  CYS  48           HB3      CYS  48   4.494  14.554 -16.764
  389    HG   CYS  48           HG       CYS  48   6.337  15.811 -15.380
  390    H    ASN  49           H        ASN  49   7.314  15.071 -18.742
  391    HA   ASN  49           HA       ASN  49   9.776  13.552 -19.337
  392    HB2  ASN  49           HB2      ASN  49   8.743  14.887 -21.127
  393    HB3  ASN  49           HB3      ASN  49   8.809  16.335 -20.125
  394   HD21  ASN  49          HD22      ASN  49  10.353  17.669 -21.092
  395   HD22  ASN  49          HD21      ASN  49  11.953  17.146 -21.538
  396    H    ALA  50           H        ALA  50   8.780  16.348 -17.298
  397    HA   ALA  50           HA       ALA  50  11.388  16.230 -15.914
  398    HB1  ALA  50           HB1      ALA  50  10.428  18.734 -17.374
  399    HB2  ALA  50           HB2      ALA  50  11.838  18.625 -16.300
  400    HB3  ALA  50           HB3      ALA  50  11.821  17.725 -17.827
  401    H    GLY  51           H        GLY  51   8.129  17.813 -16.128
  402    HA2  GLY  51           HA2      GLY  51   7.408  17.306 -13.542
  403    HA3  GLY  51           HA3      GLY  51   8.284  18.834 -13.406
  404    H    ARG  52           H        ARG  52   7.268  19.743 -16.137
  405    HA   ARG  52           HA       ARG  52   5.072  21.236 -15.220
  406    HB2  ARG  52           HB2      ARG  52   6.534  21.949 -16.993
  407    HB3  ARG  52           HB3      ARG  52   5.902  20.701 -18.081
  408    HG2  ARG  52           HG2      ARG  52   3.691  21.668 -18.055
  409    HG3  ARG  52           HG3      ARG  52   4.098  22.777 -16.731
  410    HD2  ARG  52           HD2      ARG  52   5.433  22.795 -19.446
  411    HD3  ARG  52           HD3      ARG  52   4.025  23.800 -19.019
  412    HE   ARG  52           HE       ARG  52   5.905  24.332 -17.054
  413   HH11  ARG  52          HH11      ARG  52   5.771  24.701 -20.581
  414   HH12  ARG  52          HH12      ARG  52   6.847  26.047 -20.626
  415   HH21  ARG  52          HH21      ARG  52   7.350  26.122 -17.110
  416   HH22  ARG  52          HH22      ARG  52   7.759  26.872 -18.604
  417    H    GLN  53           H        GLN  53   4.872  18.630 -17.720
  418    HA   GLN  53           HA       GLN  53   2.049  18.725 -17.784
  419    HB2  GLN  53           HB2      GLN  53   4.032  16.608 -18.758
  420    HB3  GLN  53           HB3      GLN  53   2.285  16.438 -18.944
  421    HG2  GLN  53           HG2      GLN  53   2.239  18.657 -20.136
  422    HG3  GLN  53           HG3      GLN  53   3.996  18.729 -19.994
  423   HE21  GLN  53          HE22      GLN  53   4.832  18.343 -22.039
  424   HE22  GLN  53          HE21      GLN  53   4.293  17.078 -23.111
  425    H    SER  54           H        SER  54   4.195  16.830 -15.629
  426    HA   SER  54           HA       SER  54   1.986  15.275 -14.581
  427    HB2  SER  54           HB2      SER  54   3.760  14.718 -12.844
  428    HB3  SER  54           HB3      SER  54   4.078  14.247 -14.512
  429    HG   SER  54           HG       SER  54   5.884  15.321 -13.453
  430    H    GLY  55           H        GLY  55   3.636  18.322 -13.659
  431    HA2  GLY  55           HA2      GLY  55   2.366  18.771 -11.178
  432    HA3  GLY  55           HA3      GLY  55   2.921  20.006 -12.337
  433    H    GLN  56           H        GLN  56   1.363  19.610 -14.519
  434    HA   GLN  56           HA       GLN  56  -1.156  20.769 -13.911
  435    HB2  GLN  56           HB2      GLN  56  -0.244  19.198 -16.356
  436    HB3  GLN  56           HB3      GLN  56  -1.704  20.183 -16.292
  437    HG2  GLN  56           HG2      GLN  56   1.043  21.339 -15.708
  438    HG3  GLN  56           HG3      GLN  56   0.432  21.196 -17.347
  439   HE21  GLN  56          HE22      GLN  56  -1.443  22.525 -17.977
  440   HE22  GLN  56          HE21      GLN  56  -1.915  23.905 -17.021
  441    H    ALA  57           H        ALA  57  -0.337  17.364 -14.848
  442    HA   ALA  57           HA       ALA  57  -2.937  16.329 -14.586
  443    HB1  ALA  57           HB1      ALA  57  -0.296  14.946 -13.989
  444    HB2  ALA  57           HB2      ALA  57  -1.831  14.139 -14.339
  445    HB3  ALA  57           HB3      ALA  57  -1.028  15.091 -15.607
  446    H    LYS  58           H        LYS  58  -0.460  16.913 -12.107
  447    HA   LYS  58           HA       LYS  58  -1.809  15.378 -10.051
  448    HB2  LYS  58           HB2      LYS  58   0.553  15.784  -9.889
  449    HB3  LYS  58           HB3      LYS  58   0.353  17.528  -9.890
  450    HG2  LYS  58           HG2      LYS  58  -1.077  15.996  -7.733
  451    HG3  LYS  58           HG3      LYS  58   0.683  16.015  -7.643
  452    HD2  LYS  58           HD2      LYS  58   0.826  18.305  -7.319
  453    HD3  LYS  58           HD3      LYS  58  -0.743  18.636  -8.083
  454    HE2  LYS  58           HE2      LYS  58  -1.871  17.466  -6.164
  455    HE3  LYS  58           HE3      LYS  58  -0.305  17.369  -5.346
  456    HZ1  LYS  58           HZ1      LYS  58  -0.225  19.773  -5.326
  457    HZ2  LYS  58           HZ2      LYS  58  -1.584  19.904  -6.238
  458    HZ3  LYS  58           HZ3      LYS  58  -1.667  19.317  -4.706
  459    H    GLU  59           H        GLU  59  -1.943  18.845 -11.014
  460    HA   GLU  59           HA       GLU  59  -3.781  19.543  -8.905
  461    HB2  GLU  59           HB2      GLU  59  -3.187  20.821 -11.604
  462    HB3  GLU  59           HB3      GLU  59  -4.302  21.508 -10.421
  463    HG2  GLU  59           HG2      GLU  59  -1.343  20.961  -9.908
  464    HG3  GLU  59           HG3      GLU  59  -2.034  22.521 -10.327
  465    H    ILE  60           H        ILE  60  -4.272  18.301 -12.269
  466    HA   ILE  60           HA       ILE  60  -7.118  18.417 -12.201
  467    HB   ILE  60           HB       ILE  60  -5.256  16.474 -13.623
  468   HG12  ILE  60          HG12      ILE  60  -6.818  18.862 -14.707
  469   HG13  ILE  60          HG13      ILE  60  -5.113  18.904 -14.290
  470   HG21  ILE  60          HG21      ILE  60  -7.145  15.833 -15.034
  471   HG22  ILE  60          HG22      ILE  60  -7.484  15.423 -13.369
  472   HG23  ILE  60          HG23      ILE  60  -8.237  16.867 -14.082
  473   HD11  ILE  60          HD11      ILE  60  -5.163  18.578 -16.631
  474   HD12  ILE  60          HD12      ILE  60  -4.763  16.983 -15.954
  475   HD13  ILE  60          HD13      ILE  60  -6.404  17.323 -16.536
  476    H    LEU  61           H        LEU  61  -4.860  15.818 -11.056
  477    HA   LEU  61           HA       LEU  61  -6.945  14.070 -10.229
  478    HB2  LEU  61           HB2      LEU  61  -4.149  14.301  -9.048
  479    HB3  LEU  61           HB3      LEU  61  -5.287  12.987  -8.802
  480    HG   LEU  61           HG       LEU  61  -3.607  13.594 -11.200
  481   HD11  LEU  61          HD11      LEU  61  -3.158  11.220 -11.105
  482   HD12  LEU  61          HD12      LEU  61  -2.888  11.965  -9.528
  483   HD13  LEU  61          HD13      LEU  61  -4.363  11.015  -9.809
  484   HD21  LEU  61          HD21      LEU  61  -4.957  11.925 -12.528
  485   HD22  LEU  61          HD22      LEU  61  -6.268  12.149 -11.354
  486   HD23  LEU  61          HD23      LEU  61  -5.704  13.506 -12.355
  487    H    SER  62           H        SER  62  -5.344  16.761  -8.563
  488    HA   SER  62           HA       SER  62  -6.520  16.320  -5.992
  489    HB2  SER  62           HB2      SER  62  -5.600  18.942  -7.242
  490    HB3  SER  62           HB3      SER  62  -5.819  18.599  -5.521
  491    HG   SER  62           HG       SER  62  -3.942  17.376  -7.298
  492    H    GLU  63           H        GLU  63  -7.596  18.268  -8.861
  493    HA   GLU  63           HA       GLU  63 -10.015  19.204  -7.623
  494    HB2  GLU  63           HB2      GLU  63  -9.171  18.879 -10.532
  495    HB3  GLU  63           HB3      GLU  63 -10.736  19.538 -10.043
  496    HG2  GLU  63           HG2      GLU  63  -9.589  21.298  -8.716
  497    HG3  GLU  63           HG3      GLU  63  -8.028  20.701  -9.267
  498    H    MET  64           H        MET  64  -9.211  16.232  -9.425
  499    HA   MET  64           HA       MET  64 -11.898  15.166  -9.427
  500    HB2  MET  64           HB2      MET  64  -9.140  13.962  -9.847
  501    HB3  MET  64           HB3      MET  64 -10.592  12.980  -9.879
  502    HG2  MET  64           HG2      MET  64 -10.080  15.375 -11.680
  503    HG3  MET  64           HG3      MET  64  -9.837  13.693 -12.132
  504    HE1  MET  64           HE1      MET  64 -11.662  11.912 -12.352
  505    HE2  MET  64           HE2      MET  64 -12.537  12.228 -10.837
  506    HE3  MET  64           HE3      MET  64 -13.413  12.223 -12.380
  507    H    GLY  65           H        GLY  65  -9.882  15.776  -6.789
  508    HA2  GLY  65           HA2      GLY  65 -10.326  15.356  -4.599
  509    HA3  GLY  65           HA3      GLY  65 -11.667  14.299  -5.064
  510    H    TYR  66           H        TYR  66  -8.479  13.614  -6.433
  511    HA   TYR  66           HA       TYR  66  -8.256  11.097  -4.956
  512    HB2  TYR  66           HB2      TYR  66  -6.481  12.566  -6.924
  513    HB3  TYR  66           HB3      TYR  66  -5.893  11.208  -5.990
  514    HD1  TYR  66           HD1      TYR  66  -8.766  12.050  -8.291
  515    HD2  TYR  66           HD2      TYR  66  -6.073   9.051  -6.758
  516    HE1  TYR  66           HE1      TYR  66  -9.808  10.355  -9.776
  517    HE2  TYR  66           HE2      TYR  66  -7.096   7.367  -8.238
  518    HH   TYR  66           HH       TYR  66  -8.790   6.894  -9.701
  519    H    THR  67           H        THR  67  -6.464  10.621  -3.544
  520    HA   THR  67           HA       THR  67  -5.210  12.908  -2.146
  521    HB   THR  67           HB       THR  67  -5.711  11.499   0.008
  522    HG1  THR  67           HG1      THR  67  -7.897  10.764  -1.655
  523   HG21  THR  67          HG21      THR  67  -7.937  13.126  -1.291
  524   HG22  THR  67          HG22      THR  67  -7.772  12.747   0.437
  525   HG23  THR  67          HG23      THR  67  -6.572  13.778  -0.359
  526    H    HIS  68           H        HIS  68  -3.386  12.054  -0.727
  527    HA   HIS  68           HA       HIS  68  -1.283  11.304  -0.859
  528    HB2  HIS  68           HB2      HIS  68  -2.521   8.614  -1.543
  529    HB3  HIS  68           HB3      HIS  68  -0.907   8.898  -0.902
  530    HD1  HIS  68           HD1      HIS  68  -3.959   7.630   0.354
  531    HD2  HIS  68           HD2      HIS  68  -1.205  10.553   1.631
  532    HE1  HIS  68           HE1      HIS  68  -4.255   7.846   2.881
  533    H    VAL  69           H        VAL  69  -2.199  12.616  -3.170
  534    HA   VAL  69           HA       VAL  69  -0.847  11.247  -5.421
  535    HB   VAL  69           HB       VAL  69  -2.117  14.019  -5.375
  536   HG11  VAL  69          HG11      VAL  69  -2.174  13.717  -7.841
  537   HG12  VAL  69          HG12      VAL  69  -0.523  13.647  -7.234
  538   HG13  VAL  69          HG13      VAL  69  -1.356  12.146  -7.670
  539   HG21  VAL  69          HG21      VAL  69  -3.384  11.384  -6.244
  540   HG22  VAL  69          HG22      VAL  69  -3.910  12.420  -4.898
  541   HG23  VAL  69          HG23      VAL  69  -4.050  13.006  -6.552
  542    H    GLU  70           H        GLU  70   1.150  11.916  -6.150
  543    HA   GLU  70           HA       GLU  70   2.353  14.387  -5.127
  544    HB2  GLU  70           HB2      GLU  70   3.044  12.616  -3.530
  545    HB3  GLU  70           HB3      GLU  70   3.578  11.597  -4.865
  546    HG2  GLU  70           HG2      GLU  70   5.453  12.634  -3.733
  547    HG3  GLU  70           HG3      GLU  70   5.367  13.165  -5.406
  548    H    ASN  71           H        ASN  71   4.082  15.070  -6.553
  549    HA   ASN  71           HA       ASN  71   4.120  13.710  -9.225
  550    HB2  ASN  71           HB2      ASN  71   3.189  15.983  -9.394
  551    HB3  ASN  71           HB3      ASN  71   4.606  16.639  -8.555
  552   HD21  ASN  71          HD22      ASN  71   4.780  17.966 -10.651
  553   HD22  ASN  71          HD21      ASN  71   5.457  17.194 -12.064
  554    H    ALA  72           H        ALA  72   5.931  12.593  -9.493
  555    HA   ALA  72           HA       ALA  72   8.284  12.935  -7.805
  556    HB1  ALA  72           HB1      ALA  72   9.182  11.114  -9.179
  557    HB2  ALA  72           HB2      ALA  72   7.517  10.736  -8.683
  558    HB3  ALA  72           HB3      ALA  72   7.853  11.296 -10.337
  559    H    GLY  73           H        GLY  73   7.172  14.225 -10.876
  560    HA2  GLY  73           HA2      GLY  73   8.224  16.239 -11.695
  561    HA3  GLY  73           HA3      GLY  73   9.818  15.525 -11.396
  562    H    GLY  74           H        GLY  74  10.556  13.795 -12.766
  563    HA2  GLY  74           HA2      GLY  74   8.926  13.053 -15.082
  564    HA3  GLY  74           HA3      GLY  74  10.394  13.986 -15.415
  565    H    LEU  75           H        LEU  75  10.360  11.639 -16.558
  566    HA   LEU  75           HA       LEU  75  10.668   9.263 -15.318
  567    HB2  LEU  75           HB2      LEU  75  10.528   9.580 -17.746
  568    HB3  LEU  75           HB3      LEU  75  12.158  10.249 -17.782
  569    HG   LEU  75           HG       LEU  75  13.101   8.062 -17.100
  570   HD11  LEU  75          HD11      LEU  75  11.304   7.103 -15.793
  571   HD12  LEU  75          HD12      LEU  75  10.198   7.124 -17.187
  572   HD13  LEU  75          HD13      LEU  75  11.598   6.034 -17.169
  573   HD21  LEU  75          HD21      LEU  75  12.730   6.876 -19.160
  574   HD22  LEU  75          HD22      LEU  75  11.235   7.771 -19.476
  575   HD23  LEU  75          HD23      LEU  75  12.800   8.611 -19.500
  576    H    LYS  76           H        LYS  76  13.278  11.650 -15.585
  577    HA   LYS  76           HA       LYS  76  15.424   9.888 -14.925
  578    HB2  LYS  76           HB2      LYS  76  15.305  12.904 -14.454
  579    HB3  LYS  76           HB3      LYS  76  16.735  11.889 -14.558
  580    HG2  LYS  76           HG2      LYS  76  16.823  12.607 -16.692
  581    HG3  LYS  76           HG3      LYS  76  15.671  11.307 -16.988
  582    HD2  LYS  76           HD2      LYS  76  13.805  13.047 -16.668
  583    HD3  LYS  76           HD3      LYS  76  15.079  14.274 -16.551
  584    HE2  LYS  76           HE2      LYS  76  15.899  13.544 -18.828
  585    HE3  LYS  76           HE3      LYS  76  14.529  12.431 -18.923
  586    HZ1  LYS  76           HZ1      LYS  76  13.064  14.420 -18.685
  587    HZ2  LYS  76           HZ2      LYS  76  14.385  15.383 -18.784
  588    HZ3  LYS  76           HZ3      LYS  76  13.963  14.440 -20.049
  589    H    ASP  77           H        ASP  77  13.017  11.482 -12.869
  590    HA   ASP  77           HA       ASP  77  14.696  11.562 -10.512
  591    HB2  ASP  77           HB2      ASP  77  12.814  13.119 -10.846
  592    HB3  ASP  77           HB3      ASP  77  11.671  11.771 -10.788
  593    H    ILE  78           H        ILE  78  12.029   9.421 -11.615
  594    HA   ILE  78           HA       ILE  78  11.675   8.035  -9.258
  595    HB   ILE  78           HB       ILE  78  11.235   6.912 -12.058
  596   HG12  ILE  78          HG12      ILE  78   8.766   7.730 -11.264
  597   HG13  ILE  78          HG13      ILE  78   9.721   8.906 -10.373
  598   HG21  ILE  78          HG21      ILE  78   9.454   5.575 -10.900
  599   HG22  ILE  78          HG22      ILE  78  11.079   5.164 -10.358
  600   HG23  ILE  78          HG23      ILE  78  10.041   6.184  -9.346
  601   HD11  ILE  78          HD11      ILE  78   9.307   9.991 -12.391
  602   HD12  ILE  78          HD12      ILE  78  10.881   9.291 -12.755
  603   HD13  ILE  78          HD13      ILE  78   9.432   8.502 -13.355
  604    H    ALA  79           H        ALA  79  12.999   6.867  -8.088
  605    HA   ALA  79           HA       ALA  79  15.395   5.621  -9.199
  606    HB1  ALA  79           HB1      ALA  79  15.494   6.975  -7.136
  607    HB2  ALA  79           HB2      ALA  79  14.362   5.857  -6.336
  608    HB3  ALA  79           HB3      ALA  79  15.976   5.297  -6.829
  609    H    MET  80           H        MET  80  13.481   4.262 -10.429
  610    HA   MET  80           HA       MET  80  13.656   1.643  -9.150
  611    HB2  MET  80           HB2      MET  80  11.488   1.139  -8.944
  612    HB3  MET  80           HB3      MET  80  11.258   2.877  -8.826
  613    HG2  MET  80           HG2      MET  80  10.639   3.013 -11.146
  614    HG3  MET  80           HG3      MET  80  10.924   1.288 -11.388
  615    HE1  MET  80           HE1      MET  80   9.695  -0.306  -9.023
  616    HE2  MET  80           HE2      MET  80   8.044  -0.532  -9.631
  617    HE3  MET  80           HE3      MET  80   9.421  -0.646 -10.748
  618    HA   PRO  81           HA       PRO  81  14.794   0.103 -13.096
  619    HB2  PRO  81           HB2      PRO  81  12.420  -1.771 -12.982
  620    HB3  PRO  81           HB3      PRO  81  14.120  -2.138 -13.415
  621    HG2  PRO  81           HG2      PRO  81  13.195  -2.736 -10.945
  622    HG3  PRO  81           HG3      PRO  81  14.809  -1.970 -11.128
  623    HD2  PRO  81           HD2      PRO  81  12.181  -0.671 -10.392
  624    HD3  PRO  81           HD3      PRO  81  13.803  -0.434  -9.674
  625    H    LYS  82           H        LYS  82  14.264   0.003 -15.367
  626    HA   LYS  82           HA       LYS  82  11.699   1.225 -16.185
  627    HB2  LYS  82           HB2      LYS  82  14.483   2.226 -16.944
  628    HB3  LYS  82           HB3      LYS  82  12.979   2.760 -17.707
  629    HG2  LYS  82           HG2      LYS  82  12.186   3.780 -15.670
  630    HG3  LYS  82           HG3      LYS  82  13.499   3.062 -14.732
  631    HD2  LYS  82           HD2      LYS  82  15.157   4.404 -16.054
  632    HD3  LYS  82           HD3      LYS  82  13.808   5.198 -16.869
  633    HE2  LYS  82           HE2      LYS  82  14.504   6.625 -15.030
  634    HE3  LYS  82           HE3      LYS  82  12.940   5.934 -14.609
  635    HZ1  LYS  82           HZ1      LYS  82  14.403   5.803 -12.732
  636    HZ2  LYS  82           HZ2      LYS  82  14.169   4.269 -13.236
  637    HZ3  LYS  82           HZ3      LYS  82  15.576   5.041 -13.584
  638    H    VAL  83           H        VAL  83  11.061   0.572 -18.280
  639    HA   VAL  83           HA       VAL  83  12.696  -1.478 -19.654
  640    HB   VAL  83           HB       VAL  83  10.507  -2.751 -19.751
  641   HG11  VAL  83          HG11      VAL  83  12.405  -3.454 -18.306
  642   HG12  VAL  83          HG12      VAL  83  11.720  -2.510 -16.965
  643   HG13  VAL  83          HG13      VAL  83  10.834  -3.898 -17.624
  644   HG21  VAL  83          HG21      VAL  83   8.954  -0.989 -18.980
  645   HG22  VAL  83          HG22      VAL  83   8.830  -2.462 -18.009
  646   HG23  VAL  83          HG23      VAL  83   9.689  -1.049 -17.368
  647    H    LYS  84           H        LYS  84  12.019  -1.795 -21.868
  648    HA   LYS  84           HA       LYS  84  11.093   0.616 -23.178
  649    HB2  LYS  84           HB2      LYS  84  11.334  -0.658 -25.241
  650    HB3  LYS  84           HB3      LYS  84  12.763  -0.790 -24.221
  651    HG2  LYS  84           HG2      LYS  84  12.061  -3.066 -23.504
  652    HG3  LYS  84           HG3      LYS  84  10.571  -2.910 -24.439
  653    HD2  LYS  84           HD2      LYS  84  12.124  -4.269 -25.669
  654    HD3  LYS  84           HD3      LYS  84  11.894  -2.742 -26.532
  655    HE2  LYS  84           HE2      LYS  84  14.038  -1.892 -25.600
  656    HE3  LYS  84           HE3      LYS  84  14.246  -3.396 -24.692
  657    HZ1  LYS  84           HZ1      LYS  84  14.181  -3.187 -27.648
  658    HZ2  LYS  84           HZ2      LYS  84  15.514  -3.414 -26.742
  659    HZ3  LYS  84           HZ3      LYS  84  14.377  -4.576 -26.808
  660    H    GLY  85           H        GLY  85   9.315   0.626 -24.738
  661    HA2  GLY  85           HA2      GLY  85   6.741   0.115 -23.717
  662    HA3  GLY  85           HA3      GLY  85   7.156   0.389 -25.411
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1  -1.633   1.086  -0.614
    2    H2   ALA   1           H2       ALA   1  -2.844   1.091  -1.714
    3    H3   ALA   1           H3       ALA   1  -2.545  -0.273  -0.822
    4    HA   ALA   1           HA       ALA   1  -0.392  -0.500  -1.876
    5    HB1  ALA   1           HB1      ALA   1  -1.172  -1.237  -4.069
    6    HB2  ALA   1           HB2      ALA   1  -2.378  -1.662  -2.853
    7    HB3  ALA   1           HB3      ALA   1  -2.651  -0.266  -3.918
    8    H    GLU   2           H        GLU   2   0.108   0.231  -4.574
    9    HA   GLU   2           HA       GLU   2   0.219   3.158  -4.681
   10    HB2  GLU   2           HB2      GLU   2   2.678   1.362  -4.883
   11    HB3  GLU   2           HB3      GLU   2   2.628   3.069  -5.343
   12    HG2  GLU   2           HG2      GLU   2   2.160   3.706  -3.010
   13    HG3  GLU   2           HG3      GLU   2   2.186   2.008  -2.522
   14    H    HIS   3           H        HIS   3   0.334   3.878  -6.825
   15    HA   HIS   3           HA       HIS   3   0.572   1.941  -9.044
   16    HB2  HIS   3           HB2      HIS   3  -1.766   3.827  -8.493
   17    HB3  HIS   3           HB3      HIS   3  -1.393   3.222 -10.102
   18    HD1  HIS   3           HD1      HIS   3  -2.866   1.943  -6.760
   19    HD2  HIS   3           HD2      HIS   3  -1.937   0.683 -10.688
   20    HE1  HIS   3           HE1      HIS   3  -3.999  -0.294  -7.089
   21    H    TRP   4           H        TRP   4   1.107   3.067 -11.060
   22    HA   TRP   4           HA       TRP   4   2.146   5.825 -10.758
   23    HB2  TRP   4           HB2      TRP   4   3.681   3.448 -11.871
   24    HB3  TRP   4           HB3      TRP   4   4.219   5.118 -11.888
   25    HD1  TRP   4           HD1      TRP   4   5.325   6.086  -9.751
   26    HE1  TRP   4           HE1      TRP   4   6.146   5.104  -7.542
   27    HE3  TRP   4           HE3      TRP   4   3.115   1.478 -10.057
   28    HZ2  TRP   4           HZ2      TRP   4   5.788   2.652  -6.022
   29    HZ3  TRP   4           HZ3      TRP   4   3.368  -0.159  -8.213
   30    HH2  TRP   4           HH2      TRP   4   4.707   0.413  -6.198
   31    H    ILE   5           H        ILE   5   2.280   6.926 -12.782
   32    HA   ILE   5           HA       ILE   5   1.172   5.605 -15.174
   33    HB   ILE   5           HB       ILE   5  -0.042   8.109 -13.913
   34   HG12  ILE   5          HG12      ILE   5  -2.205   6.524 -14.271
   35   HG13  ILE   5          HG13      ILE   5  -1.034   5.251 -14.004
   36   HG21  ILE   5          HG21      ILE   5   0.041   8.223 -16.381
   37   HG22  ILE   5          HG22      ILE   5  -0.771   6.648 -16.465
   38   HG23  ILE   5          HG23      ILE   5  -1.601   8.078 -15.784
   39   HD11  ILE   5          HD11      ILE   5  -0.475   6.383 -11.780
   40   HD12  ILE   5          HD12      ILE   5  -1.726   7.582 -12.157
   41   HD13  ILE   5          HD13      ILE   5  -2.166   5.880 -11.926
   42    H    ASP   6           H        ASP   6   2.060   6.487 -16.979
   43    HA   ASP   6           HA       ASP   6   4.021   8.727 -16.779
   44    HB2  ASP   6           HB2      ASP   6   4.927   6.837 -17.985
   45    HB3  ASP   6           HB3      ASP   6   3.424   6.607 -18.863
   46    H    VAL   7           H        VAL   7   2.983  10.619 -17.083
   47    HA   VAL   7           HA       VAL   7   0.525  10.637 -18.759
   48    HB   VAL   7           HB       VAL   7  -0.216  12.582 -17.645
   49   HG11  VAL   7          HG11      VAL   7   0.901  10.663 -15.557
   50   HG12  VAL   7          HG12      VAL   7  -0.422  11.823 -15.342
   51   HG13  VAL   7          HG13      VAL   7  -0.617  10.478 -16.468
   52   HG21  VAL   7          HG21      VAL   7   1.030  13.750 -15.955
   53   HG22  VAL   7          HG22      VAL   7   2.405  12.630 -16.083
   54   HG23  VAL   7          HG23      VAL   7   2.005  13.744 -17.413
   55    H    ARG   8           H        ARG   8   3.480  10.880 -19.809
   56    HA   ARG   8           HA       ARG   8   3.042  13.405 -21.345
   57    HB2  ARG   8           HB2      ARG   8   5.443  12.246 -20.416
   58    HB3  ARG   8           HB3      ARG   8   5.396  11.809 -22.111
   59    HG2  ARG   8           HG2      ARG   8   4.905  14.244 -22.672
   60    HG3  ARG   8           HG3      ARG   8   5.127  14.624 -20.956
   61    HD2  ARG   8           HD2      ARG   8   7.439  13.775 -21.074
   62    HD3  ARG   8           HD3      ARG   8   7.210  13.374 -22.792
   63    HE   ARG   8           HE       ARG   8   6.718  16.169 -21.987
   64   HH11  ARG   8          HH11      ARG   8   9.032  13.904 -23.472
   65   HH12  ARG   8          HH12      ARG   8  10.051  15.148 -24.085
   66   HH21  ARG   8          HH21      ARG   8   8.059  17.809 -22.855
   67   HH22  ARG   8          HH22      ARG   8   9.469  17.405 -23.753
   68    H    VAL   9           H        VAL   9   3.993  12.813 -23.787
   69    HA   VAL   9           HA       VAL   9   1.978  11.229 -25.057
   70    HB   VAL   9           HB       VAL   9   3.575  11.369 -27.030
   71   HG11  VAL   9          HG11      VAL   9   2.804  14.003 -25.682
   72   HG12  VAL   9          HG12      VAL   9   3.156  13.769 -27.407
   73   HG13  VAL   9          HG13      VAL   9   1.744  12.986 -26.681
   74   HG21  VAL   9          HG21      VAL   9   5.717  11.639 -25.703
   75   HG22  VAL   9          HG22      VAL   9   5.479  12.860 -26.962
   76   HG23  VAL   9          HG23      VAL   9   5.194  13.277 -25.267
   77    HA   PRO  10           HA       PRO  10   3.661   7.158 -24.593
   78    HB2  PRO  10           HB2      PRO  10   3.048   5.976 -27.014
   79    HB3  PRO  10           HB3      PRO  10   1.868   6.282 -25.699
   80    HG2  PRO  10           HG2      PRO  10   2.417   7.958 -28.161
   81    HG3  PRO  10           HG3      PRO  10   0.828   7.450 -27.496
   82    HD2  PRO  10           HD2      PRO  10   1.834   9.901 -26.990
   83    HD3  PRO  10           HD3      PRO  10   0.991   8.992 -25.703
   84    H    GLU  11           H        GLU  11   4.813   9.227 -27.188
   85    HA   GLU  11           HA       GLU  11   6.833   7.631 -28.289
   86    HB2  GLU  11           HB2      GLU  11   6.847  10.628 -27.743
   87    HB3  GLU  11           HB3      GLU  11   7.985   9.773 -28.793
   88    HG2  GLU  11           HG2      GLU  11   6.060   8.988 -30.194
   89    HG3  GLU  11           HG3      GLU  11   4.967   9.950 -29.196
   90    H    GLN  12           H        GLN  12   6.857   9.471 -25.183
   91    HA   GLN  12           HA       GLN  12   9.672   8.979 -24.770
   92    HB2  GLN  12           HB2      GLN  12   9.524  10.175 -22.857
   93    HB3  GLN  12           HB3      GLN  12   8.198  10.841 -23.773
   94    HG2  GLN  12           HG2      GLN  12   7.239  10.627 -21.698
   95    HG3  GLN  12           HG3      GLN  12   6.697   9.139 -22.450
   96   HE21  GLN  12          HE21      GLN  12   6.605   7.751 -20.653
   97   HE22  GLN  12          HE22      GLN  12   7.943   7.447 -19.550
   98    H    TYR  13           H        TYR  13   6.687   7.248 -23.904
   99    HA   TYR  13           HA       TYR  13   7.750   5.387 -22.131
  100    HB2  TYR  13           HB2      TYR  13   5.311   5.998 -22.798
  101    HB3  TYR  13           HB3      TYR  13   5.510   4.868 -24.116
  102    HD1  TYR  13           HD2      TYR  13   5.318   5.216 -20.424
  103    HD2  TYR  13           HD1      TYR  13   5.271   2.499 -23.773
  104    HE1  TYR  13           HE2      TYR  13   4.441   3.432 -18.950
  105    HE2  TYR  13           HE1      TYR  13   4.364   0.715 -22.316
  106    HH   TYR  13           HH       TYR  13   3.818   1.174 -18.792
  107    H    GLN  14           H        GLN  14   8.069   5.604 -25.649
  108    HA   GLN  14           HA       GLN  14   8.624   2.816 -26.072
  109    HB2  GLN  14           HB2      GLN  14   9.494   5.129 -27.847
  110    HB3  GLN  14           HB3      GLN  14   9.351   3.430 -28.284
  111    HG2  GLN  14           HG2      GLN  14   7.146   5.417 -27.745
  112    HG3  GLN  14           HG3      GLN  14   7.469   4.540 -29.222
  113   HE21  GLN  14          HE22      GLN  14   5.467   4.649 -26.534
  114   HE22  GLN  14          HE21      GLN  14   4.849   3.003 -26.586
  115    H    GLN  15           H        GLN  15  10.790   5.687 -25.607
  116    HA   GLN  15           HA       GLN  15  13.167   4.199 -26.157
  117    HB2  GLN  15           HB2      GLN  15  14.362   6.068 -24.957
  118    HB3  GLN  15           HB3      GLN  15  13.430   6.488 -26.386
  119    HG2  GLN  15           HG2      GLN  15  11.671   7.482 -25.074
  120    HG3  GLN  15           HG3      GLN  15  12.395   6.915 -23.560
  121   HE21  GLN  15          HE22      GLN  15  14.332   7.907 -22.776
  122   HE22  GLN  15          HE21      GLN  15  14.847   9.489 -23.366
  123    H    GLU  16           H        GLU  16  11.690   5.128 -22.990
  124    HA   GLU  16           HA       GLU  16  11.810   2.540 -22.068
  125    HB2  GLU  16           HB2      GLU  16  13.258   2.614 -20.153
  126    HB3  GLU  16           HB3      GLU  16  14.211   2.773 -21.600
  127    HG2  GLU  16           HG2      GLU  16  13.385   5.115 -19.840
  128    HG3  GLU  16           HG3      GLU  16  14.854   4.203 -19.603
  129    H    HIS  17           H        HIS  17  10.747   2.375 -19.952
  130    HA   HIS  17           HA       HIS  17   9.600   4.870 -18.851
  131    HB2  HIS  17           HB2      HIS  17   7.345   3.807 -18.883
  132    HB3  HIS  17           HB3      HIS  17   7.952   4.190 -20.483
  133    HD1  HIS  17           HD1      HIS  17   8.361   2.109 -22.136
  134    HD2  HIS  17           HD2      HIS  17   7.021   1.180 -18.261
  135    HE1  HIS  17           HE1      HIS  17   7.700  -0.360 -22.158
  136    H    VAL  18           H        VAL  18   8.855   4.578 -16.697
  137    HA   VAL  18           HA       VAL  18  10.162   2.723 -14.988
  138    HB   VAL  18           HB       VAL  18   7.592   4.345 -14.693
  139   HG11  VAL  18          HG11      VAL  18   7.897   4.032 -12.224
  140   HG12  VAL  18          HG12      VAL  18   7.456   2.552 -13.058
  141   HG13  VAL  18          HG13      VAL  18   9.146   2.812 -12.566
  142   HG21  VAL  18          HG21      VAL  18  10.420   4.837 -13.664
  143   HG22  VAL  18          HG22      VAL  18   9.614   5.725 -14.980
  144   HG23  VAL  18          HG23      VAL  18   8.987   5.840 -13.338
  145    H    GLN  19           H        GLN  19   9.830   0.581 -14.746
  146    HA   GLN  19           HA       GLN  19   8.158  -0.812 -16.482
  147    HB2  GLN  19           HB2      GLN  19  10.229  -1.622 -15.359
  148    HB3  GLN  19           HB3      GLN  19   9.351  -1.797 -13.845
  149    HG2  GLN  19           HG2      GLN  19   8.226  -3.220 -16.257
  150    HG3  GLN  19           HG3      GLN  19   9.769  -3.791 -15.645
  151   HE21  GLN  19          HE22      GLN  19   6.344  -3.240 -14.668
  152   HE22  GLN  19          HE21      GLN  19   6.369  -4.432 -13.382
  153    H    GLY  20           H        GLY  20   7.431   0.344 -13.235
  154    HA2  GLY  20           HA2      GLY  20   4.966  -1.213 -12.989
  155    HA3  GLY  20           HA3      GLY  20   5.624  -0.049 -11.836
  156    H    ALA  21           H        ALA  21   5.482   1.354 -14.996
  157    HA   ALA  21           HA       ALA  21   2.961   2.763 -14.235
  158    HB1  ALA  21           HB1      ALA  21   5.004   4.196 -14.014
  159    HB2  ALA  21           HB2      ALA  21   5.346   3.902 -15.733
  160    HB3  ALA  21           HB3      ALA  21   3.887   4.791 -15.257
  161    H    ILE  22           H        ILE  22   1.872   3.790 -16.050
  162    HA   ILE  22           HA       ILE  22   1.878   2.223 -18.571
  163    HB   ILE  22           HB       ILE  22  -0.629   2.196 -18.334
  164   HG12  ILE  22          HG12      ILE  22  -0.073   2.932 -15.408
  165   HG13  ILE  22          HG13      ILE  22  -0.916   3.932 -16.593
  166   HG21  ILE  22          HG21      ILE  22   0.887   0.235 -17.897
  167   HG22  ILE  22          HG22      ILE  22   0.826   0.623 -16.164
  168   HG23  ILE  22          HG23      ILE  22  -0.648   0.156 -17.036
  169   HD11  ILE  22          HD11      ILE  22  -1.866   1.306 -15.397
  170   HD12  ILE  22          HD12      ILE  22  -2.566   2.920 -15.205
  171   HD13  ILE  22          HD13      ILE  22  -2.660   2.098 -16.779
  172    H    ASN  23           H        ASN  23   1.341   3.482 -20.391
  173    HA   ASN  23           HA       ASN  23   1.622   6.355 -19.963
  174    HB2  ASN  23           HB2      ASN  23   2.782   5.305 -21.850
  175    HB3  ASN  23           HB3      ASN  23   1.227   4.817 -22.551
  176   HD21  ASN  23          HD22      ASN  23   3.255   7.682 -21.629
  177   HD22  ASN  23          HD21      ASN  23   2.280   8.846 -22.490
  178    H    ILE  24           H        ILE  24  -0.021   7.578 -19.416
  179    HA   ILE  24           HA       ILE  24  -2.631   7.365 -20.805
  180    HB   ILE  24           HB       ILE  24  -2.346   7.439 -17.792
  181   HG12  ILE  24          HG12      ILE  24  -3.561   5.326 -19.612
  182   HG13  ILE  24          HG13      ILE  24  -2.075   5.158 -18.676
  183   HG21  ILE  24          HG21      ILE  24  -4.142   8.951 -18.617
  184   HG22  ILE  24          HG22      ILE  24  -4.862   7.557 -19.445
  185   HG23  ILE  24          HG23      ILE  24  -4.746   7.616 -17.664
  186   HD11  ILE  24          HD11      ILE  24  -4.862   5.398 -17.502
  187   HD12  ILE  24          HD12      ILE  24  -3.840   3.965 -17.579
  188   HD13  ILE  24          HD13      ILE  24  -3.330   5.341 -16.581
  189    HA   PRO  25           HA       PRO  25  -0.338  11.271 -20.927
  190    HB2  PRO  25           HB2      PRO  25  -2.459  11.852 -23.005
  191    HB3  PRO  25           HB3      PRO  25  -0.711  12.267 -23.029
  192    HG2  PRO  25           HG2      PRO  25  -1.544  10.095 -24.384
  193    HG3  PRO  25           HG3      PRO  25  -0.102   9.955 -23.316
  194    HD2  PRO  25           HD2      PRO  25  -2.965   9.167 -22.692
  195    HD3  PRO  25           HD3      PRO  25  -1.462   8.226 -22.463
  196    H    LEU  26           H        LEU  26  -0.595  13.400 -20.330
  197    HA   LEU  26           HA       LEU  26  -2.299  14.196 -18.359
  198    HB2  LEU  26           HB2      LEU  26  -0.200  15.302 -18.984
  199    HB3  LEU  26           HB3      LEU  26  -0.890  15.820 -20.519
  200    HG   LEU  26           HG       LEU  26  -2.512  17.289 -19.297
  201   HD11  LEU  26          HD11      LEU  26  -2.600  16.076 -17.143
  202   HD12  LEU  26          HD12      LEU  26  -0.889  16.451 -16.859
  203   HD13  LEU  26          HD13      LEU  26  -2.104  17.752 -16.895
  204   HD21  LEU  26          HD21      LEU  26  -0.362  18.164 -20.144
  205   HD22  LEU  26          HD22      LEU  26  -0.898  19.000 -18.681
  206   HD23  LEU  26          HD23      LEU  26   0.401  17.791 -18.582
  207    H    LYS  27           H        LYS  27  -2.894  14.511 -21.860
  208    HA   LYS  27           HA       LYS  27  -5.142  16.246 -21.719
  209    HB2  LYS  27           HB2      LYS  27  -4.406  14.131 -23.795
  210    HB3  LYS  27           HB3      LYS  27  -5.642  15.376 -24.007
  211    HG2  LYS  27           HG2      LYS  27  -3.927  17.147 -23.714
  212    HG3  LYS  27           HG3      LYS  27  -2.669  15.904 -23.565
  213    HD2  LYS  27           HD2      LYS  27  -3.234  15.056 -25.827
  214    HD3  LYS  27           HD3      LYS  27  -4.457  16.316 -26.011
  215    HE2  LYS  27           HE2      LYS  27  -1.474  16.812 -25.562
  216    HE3  LYS  27           HE3      LYS  27  -2.259  16.794 -27.142
  217    HZ1  LYS  27           HZ1      LYS  27  -2.871  18.718 -24.974
  218    HZ2  LYS  27           HZ2      LYS  27  -2.032  19.036 -26.331
  219    HZ3  LYS  27           HZ3      LYS  27  -3.615  18.675 -26.432
  220    H    GLU  28           H        GLU  28  -4.921  12.897 -20.800
  221    HA   GLU  28           HA       GLU  28  -7.892  12.591 -20.994
  222    HB2  GLU  28           HB2      GLU  28  -5.759  10.460 -21.313
  223    HB3  GLU  28           HB3      GLU  28  -7.512  10.288 -21.536
  224    HG2  GLU  28           HG2      GLU  28  -7.373  11.904 -23.453
  225    HG3  GLU  28           HG3      GLU  28  -5.609  11.876 -23.304
  226    H    VAL  29           H        VAL  29  -5.069  12.332 -18.917
  227    HA   VAL  29           HA       VAL  29  -5.777  10.527 -17.052
  228    HB   VAL  29           HB       VAL  29  -3.708  12.096 -17.274
  229   HG11  VAL  29          HG11      VAL  29  -3.536  13.981 -15.828
  230   HG12  VAL  29          HG12      VAL  29  -4.926  14.245 -16.884
  231   HG13  VAL  29          HG13      VAL  29  -5.174  13.756 -15.193
  232   HG21  VAL  29          HG21      VAL  29  -3.044  11.652 -14.963
  233   HG22  VAL  29          HG22      VAL  29  -4.732  11.313 -14.519
  234   HG23  VAL  29          HG23      VAL  29  -3.877  10.258 -15.668
  235    H    LYS  30           H        LYS  30  -7.331  13.675 -17.426
  236    HA   LYS  30           HA       LYS  30  -8.681  13.959 -14.975
  237    HB2  LYS  30           HB2      LYS  30  -8.443  15.562 -16.941
  238    HB3  LYS  30           HB3      LYS  30  -9.832  14.724 -17.661
  239    HG2  LYS  30           HG2      LYS  30 -11.166  15.233 -15.607
  240    HG3  LYS  30           HG3      LYS  30  -9.773  16.053 -14.896
  241    HD2  LYS  30           HD2      LYS  30 -11.190  16.829 -17.460
  242    HD3  LYS  30           HD3      LYS  30 -11.462  17.561 -15.867
  243    HE2  LYS  30           HE2      LYS  30  -9.101  18.333 -15.811
  244    HE3  LYS  30           HE3      LYS  30  -8.828  17.627 -17.410
  245    HZ1  LYS  30           HZ1      LYS  30 -10.483  19.164 -18.298
  246    HZ2  LYS  30           HZ2      LYS  30 -10.732  19.821 -16.822
  247    HZ3  LYS  30           HZ3      LYS  30  -9.289  19.988 -17.559
  248    H    GLU  31           H        GLU  31  -9.375  11.676 -17.590
  249    HA   GLU  31           HA       GLU  31 -11.791  10.764 -16.044
  250    HB2  GLU  31           HB2      GLU  31 -11.215  10.589 -19.030
  251    HB3  GLU  31           HB3      GLU  31 -12.559   9.791 -18.199
  252    HG2  GLU  31           HG2      GLU  31 -13.400  12.015 -17.442
  253    HG3  GLU  31           HG3      GLU  31 -12.100  12.805 -18.338
  254    H    ARG  32           H        ARG  32  -8.915   9.796 -17.972
  255    HA   ARG  32           HA       ARG  32  -9.324   7.003 -17.528
  256    HB2  ARG  32           HB2      ARG  32  -6.887   8.574 -18.427
  257    HB3  ARG  32           HB3      ARG  32  -6.992   6.802 -18.411
  258    HG2  ARG  32           HG2      ARG  32  -8.978   6.946 -19.957
  259    HG3  ARG  32           HG3      ARG  32  -8.739   8.695 -20.040
  260    HD2  ARG  32           HD2      ARG  32  -7.696   7.760 -21.977
  261    HD3  ARG  32           HD3      ARG  32  -6.403   8.290 -20.886
  262    HE   ARG  32           HE       ARG  32  -7.120   5.520 -20.459
  263   HH11  ARG  32          HH21      ARG  32  -5.364   7.536 -22.836
  264   HH12  ARG  32          HH22      ARG  32  -4.221   6.291 -23.208
  265   HH21  ARG  32          HH11      ARG  32  -5.650   3.866 -21.057
  266   HH22  ARG  32          HH12      ARG  32  -4.409   4.168 -22.209
  267    H    ILE  33           H        ILE  33  -8.151   9.339 -15.258
  268    HA   ILE  33           HA       ILE  33  -6.433   7.714 -13.739
  269    HB   ILE  33           HB       ILE  33  -6.779  10.039 -13.220
  270   HG12  ILE  33          HG12      ILE  33  -7.065   9.976 -10.773
  271   HG13  ILE  33          HG13      ILE  33  -7.689   8.337 -10.864
  272   HG21  ILE  33          HG21      ILE  33  -8.784  10.955 -12.190
  273   HG22  ILE  33          HG22      ILE  33  -9.216  10.264 -13.745
  274   HG23  ILE  33          HG23      ILE  33  -9.598   9.383 -12.248
  275   HD11  ILE  33          HD11      ILE  33  -5.292   8.468 -10.190
  276   HD12  ILE  33          HD12      ILE  33  -5.506   7.523 -11.669
  277   HD13  ILE  33          HD13      ILE  33  -4.896   9.193 -11.760
  278    H    ALA  34           H        ALA  34 -10.016   7.554 -14.081
  279    HA   ALA  34           HA       ALA  34 -10.445   5.790 -11.873
  280    HB1  ALA  34           HB1      ALA  34 -12.251   7.067 -12.978
  281    HB2  ALA  34           HB2      ALA  34 -12.029   6.116 -14.466
  282    HB3  ALA  34           HB3      ALA  34 -12.602   5.328 -12.982
  283    H    THR  35           H        THR  35  -9.682   5.120 -15.349
  284    HA   THR  35           HA       THR  35  -9.799   2.254 -14.998
  285    HB   THR  35           HB       THR  35  -8.412   2.485 -17.260
  286    HG1  THR  35           HG1      THR  35  -8.106   4.801 -16.973
  287   HG21  THR  35          HG21      THR  35 -10.539   2.802 -18.478
  288   HG22  THR  35          HG22      THR  35 -10.742   1.699 -17.108
  289   HG23  THR  35          HG23      THR  35 -11.319   3.376 -16.985
  290    H    ALA  36           H        ALA  36  -7.231   4.728 -14.675
  291    HA   ALA  36           HA       ALA  36  -5.051   2.882 -14.540
  292    HB1  ALA  36           HB1      ALA  36  -4.888   5.374 -14.937
  293    HB2  ALA  36           HB2      ALA  36  -5.276   5.632 -13.232
  294    HB3  ALA  36           HB3      ALA  36  -3.799   4.759 -13.672
  295    H    VAL  37           H        VAL  37  -7.100   4.417 -12.020
  296    HA   VAL  37           HA       VAL  37  -6.242   2.448  -9.992
  297    HB   VAL  37           HB       VAL  37  -6.291   5.351  -9.444
  298   HG11  VAL  37          HG11      VAL  37  -5.109   4.694  -7.393
  299   HG12  VAL  37          HG12      VAL  37  -6.630   3.814  -7.527
  300   HG13  VAL  37          HG13      VAL  37  -5.106   2.999  -7.923
  301   HG21  VAL  37          HG21      VAL  37  -3.868   3.669 -10.137
  302   HG22  VAL  37          HG22      VAL  37  -4.424   5.147 -10.957
  303   HG23  VAL  37          HG23      VAL  37  -3.780   5.244  -9.325
  304    HA   PRO  38           HA       PRO  38 -10.759   2.602 -10.049
  305    HB2  PRO  38           HB2      PRO  38 -10.381   0.936  -7.559
  306    HB3  PRO  38           HB3      PRO  38 -11.538   0.705  -8.911
  307    HG2  PRO  38           HG2      PRO  38  -9.267  -0.774  -8.792
  308    HG3  PRO  38           HG3      PRO  38  -9.804  -0.076 -10.357
  309    HD2  PRO  38           HD2      PRO  38  -7.664   0.945  -8.481
  310    HD3  PRO  38           HD3      PRO  38  -7.659   0.834 -10.268
  311    H    ASP  39           H        ASP  39  -8.795   3.594  -7.261
  312    HA   ASP  39           HA       ASP  39 -10.900   5.492  -6.426
  313    HB2  ASP  39           HB2      ASP  39 -11.257   3.468  -5.061
  314    HB3  ASP  39           HB3      ASP  39  -9.566   3.490  -4.557
  315    H    LYS  40           H        LYS  40  -9.903   7.408  -6.415
  316    HA   LYS  40           HA       LYS  40  -7.111   7.825  -6.591
  317    HB2  LYS  40           HB2      LYS  40  -7.602  10.165  -6.494
  318    HB3  LYS  40           HB3      LYS  40  -8.814   9.342  -7.482
  319    HG2  LYS  40           HG2      LYS  40 -10.242   9.231  -5.318
  320    HG3  LYS  40           HG3      LYS  40  -9.092  10.388  -4.632
  321    HD2  LYS  40           HD2      LYS  40  -9.674  12.040  -6.364
  322    HD3  LYS  40           HD3      LYS  40 -10.708  10.831  -7.189
  323    HE2  LYS  40           HE2      LYS  40 -11.925  10.515  -5.012
  324    HE3  LYS  40           HE3      LYS  40 -11.023  11.885  -4.353
  325    HZ1  LYS  40           HZ1      LYS  40 -12.043  13.275  -6.118
  326    HZ2  LYS  40           HZ2      LYS  40 -12.920  11.993  -6.639
  327    HZ3  LYS  40           HZ3      LYS  40 -13.181  12.606  -5.152
  328    H    ASN  41           H        ASN  41  -8.928   7.057  -3.770
  329    HA   ASN  41           HA       ASN  41  -7.168   8.420  -1.902
  330    HB2  ASN  41           HB2      ASN  41  -9.525   7.783  -1.360
  331    HB3  ASN  41           HB3      ASN  41  -9.052   6.079  -1.445
  332   HD21  ASN  41          HD22      ASN  41  -7.947   9.154   0.163
  333   HD22  ASN  41          HD21      ASN  41  -7.640   8.392   1.710
  334    H    ASP  42           H        ASP  42  -6.860   5.511  -3.812
  335    HA   ASP  42           HA       ASP  42  -4.838   4.268  -2.090
  336    HB2  ASP  42           HB2      ASP  42  -6.109   2.968  -3.801
  337    HB3  ASP  42           HB3      ASP  42  -5.365   3.954  -5.071
  338    H    THR  43           H        THR  43  -2.448   4.350  -2.682
  339    HA   THR  43           HA       THR  43  -1.692   7.071  -3.137
  340    HB   THR  43           HB       THR  43   0.248   4.781  -3.355
  341    HG1  THR  43           HG1      THR  43  -0.548   4.031  -1.634
  342   HG21  THR  43          HG21      THR  43   0.384   7.488  -1.966
  343   HG22  THR  43          HG22      THR  43   1.701   6.294  -2.070
  344   HG23  THR  43          HG23      THR  43   1.104   7.083  -3.539
  345    H    VAL  44           H        VAL  44  -1.154   8.116  -5.049
  346    HA   VAL  44           HA       VAL  44  -0.618   6.436  -7.453
  347    HB   VAL  44           HB       VAL  44  -2.137   9.057  -7.529
  348   HG11  VAL  44          HG11      VAL  44  -1.009   8.341  -9.611
  349   HG12  VAL  44          HG12      VAL  44  -1.843   6.774  -9.521
  350   HG13  VAL  44          HG13      VAL  44  -2.764   8.272  -9.787
  351   HG21  VAL  44          HG21      VAL  44  -4.198   7.632  -8.019
  352   HG22  VAL  44          HG22      VAL  44  -3.300   6.266  -7.308
  353   HG23  VAL  44          HG23      VAL  44  -3.674   7.707  -6.342
  354    H    LYS  45           H        LYS  45   1.270   6.966  -8.394
  355    HA   LYS  45           HA       LYS  45   2.567   9.576  -7.706
  356    HB2  LYS  45           HB2      LYS  45   3.675   6.763  -7.792
  357    HB3  LYS  45           HB3      LYS  45   4.713   8.198  -7.913
  358    HG2  LYS  45           HG2      LYS  45   3.927   9.019  -5.751
  359    HG3  LYS  45           HG3      LYS  45   2.770   7.682  -5.614
  360    HD2  LYS  45           HD2      LYS  45   4.584   6.048  -5.526
  361    HD3  LYS  45           HD3      LYS  45   5.795   7.336  -5.748
  362    HE2  LYS  45           HE2      LYS  45   5.123   8.390  -3.640
  363    HE3  LYS  45           HE3      LYS  45   3.804   7.228  -3.438
  364    HZ1  LYS  45           HZ1      LYS  45   5.410   5.468  -3.206
  365    HZ2  LYS  45           HZ2      LYS  45   6.673   6.502  -3.442
  366    HZ3  LYS  45           HZ3      LYS  45   5.738   6.640  -2.112
  367    H    VAL  46           H        VAL  46   1.767  10.564  -9.551
  368    HA   VAL  46           HA       VAL  46   2.062   9.327 -12.192
  369    HB   VAL  46           HB       VAL  46   1.393  11.575 -13.024
  370   HG11  VAL  46          HG11      VAL  46  -0.292   9.816 -12.545
  371   HG12  VAL  46          HG12      VAL  46  -0.491  10.448 -10.901
  372   HG13  VAL  46          HG13      VAL  46  -0.941  11.439 -12.303
  373   HG21  VAL  46          HG21      VAL  46   0.897  12.343 -10.110
  374   HG22  VAL  46          HG22      VAL  46   2.196  13.003 -11.122
  375   HG23  VAL  46          HG23      VAL  46   0.511  13.291 -11.550
  376    H    TYR  47           H        TYR  47   3.670   9.918 -13.746
  377    HA   TYR  47           HA       TYR  47   5.689  11.851 -12.988
  378    HB2  TYR  47           HB2      TYR  47   7.544  10.525 -13.050
  379    HB3  TYR  47           HB3      TYR  47   6.452   9.371 -12.345
  380    HD1  TYR  47           HD2      TYR  47   5.354   7.615 -13.911
  381    HD2  TYR  47           HD1      TYR  47   8.586  10.178 -15.159
  382    HE1  TYR  47           HE2      TYR  47   5.791   6.140 -15.843
  383    HE2  TYR  47           HE1      TYR  47   8.976   8.741 -17.135
  384    HH   TYR  47           HH       TYR  47   7.029   5.783 -17.764
  385    H    CYS  48           H        CYS  48   7.055  12.293 -15.027
  386    HA   CYS  48           HA       CYS  48   6.046  11.242 -17.511
  387    HB2  CYS  48           HB2      CYS  48   5.407  13.263 -18.579
  388    HB3  CYS  48           HB3      CYS  48   4.546  13.281 -17.050
  389    HG   CYS  48           HG       CYS  48   5.857  15.558 -18.242
  390    H    ASN  49           H        ASN  49   7.589  12.397 -19.311
  391    HA   ASN  49           HA       ASN  49  10.124  11.546 -18.641
  392    HB2  ASN  49           HB2      ASN  49   9.194  12.006 -20.983
  393    HB3  ASN  49           HB3      ASN  49   9.700  13.688 -20.745
  394   HD21  ASN  49          HD22      ASN  49  10.881  10.283 -20.712
  395   HD22  ASN  49          HD21      ASN  49  12.533  10.683 -21.150
  396    H    ALA  50           H        ALA  50   8.890  14.872 -18.258
  397    HA   ALA  50           HA       ALA  50  11.526  15.701 -17.126
  398    HB1  ALA  50           HB1      ALA  50  11.157  17.871 -18.189
  399    HB2  ALA  50           HB2      ALA  50  11.087  16.579 -19.398
  400    HB3  ALA  50           HB3      ALA  50   9.584  17.332 -18.813
  401    H    GLY  51           H        GLY  51   8.481  15.038 -16.033
  402    HA2  GLY  51           HA2      GLY  51   7.754  15.291 -13.899
  403    HA3  GLY  51           HA3      GLY  51   8.988  16.520 -13.604
  404    H    ARG  52           H        ARG  52   7.948  18.193 -15.950
  405    HA   ARG  52           HA       ARG  52   6.172  19.800 -14.462
  406    HB2  ARG  52           HB2      ARG  52   7.555  20.717 -16.277
  407    HB3  ARG  52           HB3      ARG  52   6.731  19.707 -17.458
  408    HG2  ARG  52           HG2      ARG  52   5.887  21.865 -17.756
  409    HG3  ARG  52           HG3      ARG  52   4.585  20.974 -16.998
  410    HD2  ARG  52           HD2      ARG  52   6.524  22.786 -15.473
  411    HD3  ARG  52           HD3      ARG  52   5.046  23.381 -16.201
  412    HE   ARG  52           HE       ARG  52   5.269  21.494 -13.910
  413   HH11  ARG  52          HH11      ARG  52   3.214  23.714 -15.782
  414   HH12  ARG  52          HH12      ARG  52   1.928  23.686 -14.628
  415   HH21  ARG  52          HH21      ARG  52   3.545  21.490 -12.397
  416   HH22  ARG  52          HH22      ARG  52   2.048  22.292 -12.753
  417    H    GLN  53           H        GLN  53   5.453  17.533 -17.167
  418    HA   GLN  53           HA       GLN  53   2.674  18.235 -17.137
  419    HB2  GLN  53           HB2      GLN  53   3.889  15.734 -18.351
  420    HB3  GLN  53           HB3      GLN  53   2.334  16.454 -18.726
  421    HG2  GLN  53           HG2      GLN  53   5.044  17.728 -19.316
  422    HG3  GLN  53           HG3      GLN  53   4.014  16.894 -20.467
  423   HE21  GLN  53          HE22      GLN  53   2.543  18.152 -21.624
  424   HE22  GLN  53          HE21      GLN  53   2.088  19.775 -21.183
  425    H    SER  54           H        SER  54   4.495  15.647 -15.374
  426    HA   SER  54           HA       SER  54   2.052  14.514 -14.299
  427    HB2  SER  54           HB2      SER  54   3.743  13.672 -12.546
  428    HB3  SER  54           HB3      SER  54   3.783  13.078 -14.202
  429    HG   SER  54           HG       SER  54   5.635  14.483 -12.804
  430    H    GLY  55           H        GLY  55   4.159  17.248 -13.415
  431    HA2  GLY  55           HA2      GLY  55   2.935  17.997 -10.984
  432    HA3  GLY  55           HA3      GLY  55   3.637  19.084 -12.209
  433    H    GLN  56           H        GLN  56   2.049  18.888 -14.384
  434    HA   GLN  56           HA       GLN  56  -0.341  20.261 -13.714
  435    HB2  GLN  56           HB2      GLN  56   0.318  18.728 -16.254
  436    HB3  GLN  56           HB3      GLN  56  -1.017  19.861 -16.042
  437    HG2  GLN  56           HG2      GLN  56   0.932  21.503 -15.273
  438    HG3  GLN  56           HG3      GLN  56   1.941  20.428 -16.246
  439   HE21  GLN  56          HE22      GLN  56   1.970  20.853 -18.517
  440   HE22  GLN  56          HE21      GLN  56   0.839  21.940 -19.293
  441    H    ALA  57           H        ALA  57   0.124  16.764 -14.563
  442    HA   ALA  57           HA       ALA  57  -2.634  16.104 -14.406
  443    HB1  ALA  57           HB1      ALA  57  -1.853  13.782 -13.975
  444    HB2  ALA  57           HB2      ALA  57  -1.008  14.536 -15.338
  445    HB3  ALA  57           HB3      ALA  57  -0.201  14.382 -13.753
  446    H    LYS  58           H        LYS  58  -0.162  16.492 -11.895
  447    HA   LYS  58           HA       LYS  58  -1.864  15.442  -9.789
  448    HB2  LYS  58           HB2      LYS  58   0.627  15.531  -9.679
  449    HB3  LYS  58           HB3      LYS  58   0.558  17.281  -9.468
  450    HG2  LYS  58           HG2      LYS  58  -1.017  15.441  -7.634
  451    HG3  LYS  58           HG3      LYS  58   0.720  15.618  -7.403
  452    HD2  LYS  58           HD2      LYS  58   0.573  17.937  -6.907
  453    HD3  LYS  58           HD3      LYS  58  -1.088  18.054  -7.491
  454    HE2  LYS  58           HE2      LYS  58  -1.768  16.400  -5.698
  455    HE3  LYS  58           HE3      LYS  58  -0.133  16.552  -5.020
  456    HZ1  LYS  58           HZ1      LYS  58  -2.175  18.665  -5.323
  457    HZ2  LYS  58           HZ2      LYS  58  -1.603  18.080  -3.909
  458    HZ3  LYS  58           HZ3      LYS  58  -0.626  18.998  -4.851
  459    H    GLU  59           H        GLU  59  -1.272  18.749 -11.110
  460    HA   GLU  59           HA       GLU  59  -2.985  20.102  -9.285
  461    HB2  GLU  59           HB2      GLU  59  -2.240  20.729 -12.172
  462    HB3  GLU  59           HB3      GLU  59  -3.201  21.796 -11.154
  463    HG2  GLU  59           HG2      GLU  59  -1.381  22.043  -9.562
  464    HG3  GLU  59           HG3      GLU  59  -0.399  20.861 -10.412
  465    H    ILE  60           H        ILE  60  -3.765  18.515 -12.451
  466    HA   ILE  60           HA       ILE  60  -6.542  19.122 -12.472
  467    HB   ILE  60           HB       ILE  60  -5.009  16.718 -13.557
  468   HG12  ILE  60          HG12      ILE  60  -6.176  19.134 -15.015
  469   HG13  ILE  60          HG13      ILE  60  -4.488  18.971 -14.556
  470   HG21  ILE  60          HG21      ILE  60  -7.909  17.477 -14.103
  471   HG22  ILE  60          HG22      ILE  60  -6.999  16.196 -14.944
  472   HG23  ILE  60          HG23      ILE  60  -7.357  16.026 -13.245
  473   HD11  ILE  60          HD11      ILE  60  -4.572  18.329 -16.832
  474   HD12  ILE  60          HD12      ILE  60  -4.430  16.802 -15.932
  475   HD13  ILE  60          HD13      ILE  60  -5.994  17.307 -16.601
  476    H    LEU  61           H        LEU  61  -4.823  16.242 -11.140
  477    HA   LEU  61           HA       LEU  61  -7.246  15.081 -10.170
  478    HB2  LEU  61           HB2      LEU  61  -4.339  14.518  -9.477
  479    HB3  LEU  61           HB3      LEU  61  -5.698  13.506  -8.987
  480    HG   LEU  61           HG       LEU  61  -4.934  14.079 -11.897
  481   HD11  LEU  61          HD11      LEU  61  -4.546  11.545 -10.271
  482   HD12  LEU  61          HD12      LEU  61  -4.243  11.736 -12.016
  483   HD13  LEU  61          HD13      LEU  61  -3.271  12.645 -10.862
  484   HD21  LEU  61          HD21      LEU  61  -7.273  13.704 -11.852
  485   HD22  LEU  61          HD22      LEU  61  -6.495  12.273 -12.486
  486   HD23  LEU  61          HD23      LEU  61  -7.095  12.282 -10.801
  487    H    SER  62           H        SER  62  -5.025  17.416  -8.710
  488    HA   SER  62           HA       SER  62  -6.062  17.228  -6.054
  489    HB2  SER  62           HB2      SER  62  -4.898  19.655  -7.470
  490    HB3  SER  62           HB3      SER  62  -5.140  19.470  -5.726
  491    HG   SER  62           HG       SER  62  -3.473  17.886  -7.405
  492    H    GLU  63           H        GLU  63  -7.070  19.166  -8.931
  493    HA   GLU  63           HA       GLU  63  -9.189  20.534  -7.598
  494    HB2  GLU  63           HB2      GLU  63  -8.101  21.096  -9.839
  495    HB3  GLU  63           HB3      GLU  63  -9.026  19.773 -10.544
  496    HG2  GLU  63           HG2      GLU  63 -10.184  21.806 -11.005
  497    HG3  GLU  63           HG3      GLU  63 -11.145  20.909  -9.842
  498    H    MET  64           H        MET  64  -8.959  17.335  -9.131
  499    HA   MET  64           HA       MET  64 -11.769  16.680  -8.836
  500    HB2  MET  64           HB2      MET  64  -9.331  14.922  -9.320
  501    HB3  MET  64           HB3      MET  64 -11.002  14.368  -9.340
  502    HG2  MET  64           HG2      MET  64 -11.537  15.883 -11.191
  503    HG3  MET  64           HG3      MET  64  -9.891  16.512 -11.183
  504    HE1  MET  64           HE1      MET  64 -12.178  13.393 -11.894
  505    HE2  MET  64           HE2      MET  64 -11.013  12.203 -12.513
  506    HE3  MET  64           HE3      MET  64 -10.986  12.646 -10.800
  507    H    GLY  65           H        GLY  65  -9.631  17.280  -6.355
  508    HA2  GLY  65           HA2      GLY  65 -10.062  16.991  -4.122
  509    HA3  GLY  65           HA3      GLY  65 -11.407  15.909  -4.508
  510    H    TYR  66           H        TYR  66  -7.916  15.709  -5.332
  511    HA   TYR  66           HA       TYR  66  -7.504  13.018  -4.753
  512    HB2  TYR  66           HB2      TYR  66  -5.257  13.447  -4.964
  513    HB3  TYR  66           HB3      TYR  66  -5.941  14.728  -5.917
  514    HD1  TYR  66           HD2      TYR  66  -6.590  16.847  -3.854
  515    HD2  TYR  66           HD1      TYR  66  -3.229  14.148  -4.107
  516    HE1  TYR  66           HE2      TYR  66  -5.206  18.456  -2.617
  517    HE2  TYR  66           HE1      TYR  66  -1.857  15.723  -2.820
  518    HH   TYR  66           HH       TYR  66  -3.084  18.919  -1.734
  519    H    THR  67           H        THR  67  -6.115  12.061  -3.057
  520    HA   THR  67           HA       THR  67  -5.891  13.543  -0.516
  521    HB   THR  67           HB       THR  67  -6.416  11.311   0.680
  522    HG1  THR  67           HG1      THR  67  -7.877  10.955  -1.732
  523   HG21  THR  67          HG21      THR  67  -8.760  12.798  -0.567
  524   HG22  THR  67          HG22      THR  67  -8.774  11.803   0.904
  525   HG23  THR  67          HG23      THR  67  -7.857  13.319   0.874
  526    H    HIS  68           H        HIS  68  -4.820  10.771  -2.569
  527    HA   HIS  68           HA       HIS  68  -2.120  11.059  -1.361
  528    HB2  HIS  68           HB2      HIS  68  -3.620   8.454  -1.865
  529    HB3  HIS  68           HB3      HIS  68  -1.943   8.581  -1.337
  530    HD1  HIS  68           HD1      HIS  68  -1.524   9.321   1.250
  531    HD2  HIS  68           HD2      HIS  68  -5.516   8.913  -0.007
  532    HE1  HIS  68           HE1      HIS  68  -2.941   9.335   3.363
  533    H    VAL  69           H        VAL  69  -3.002  12.205  -3.793
  534    HA   VAL  69           HA       VAL  69  -1.553  10.623  -5.863
  535    HB   VAL  69           HB       VAL  69  -3.169  13.181  -6.181
  536   HG11  VAL  69          HG11      VAL  69  -2.994  12.754  -8.580
  537   HG12  VAL  69          HG12      VAL  69  -1.394  12.963  -7.886
  538   HG13  VAL  69          HG13      VAL  69  -1.971  11.332  -8.289
  539   HG21  VAL  69          HG21      VAL  69  -4.668  11.250  -5.661
  540   HG22  VAL  69          HG22      VAL  69  -4.856  11.802  -7.326
  541   HG23  VAL  69          HG23      VAL  69  -3.930  10.333  -6.978
  542    H    GLU  70           H        GLU  70   0.493  11.342  -6.514
  543    HA   GLU  70           HA       GLU  70   1.504  13.965  -5.577
  544    HB2  GLU  70           HB2      GLU  70   2.003  12.269  -3.839
  545    HB3  GLU  70           HB3      GLU  70   2.776  11.236  -5.045
  546    HG2  GLU  70           HG2      GLU  70   4.541  12.885  -5.398
  547    HG3  GLU  70           HG3      GLU  70   3.708  14.059  -4.374
  548    H    ASN  71           H        ASN  71   3.212  14.746  -6.901
  549    HA   ASN  71           HA       ASN  71   3.639  13.397  -9.520
  550    HB2  ASN  71           HB2      ASN  71   3.188  15.802  -9.646
  551    HB3  ASN  71           HB3      ASN  71   4.444  16.134  -8.446
  552   HD21  ASN  71          HD22      ASN  71   5.396  17.590 -10.133
  553   HD22  ASN  71          HD21      ASN  71   6.195  16.904 -11.528
  554    H    ALA  72           H        ALA  72   5.255  11.931  -9.523
  555    HA   ALA  72           HA       ALA  72   7.186  11.683  -7.409
  556    HB1  ALA  72           HB1      ALA  72   7.182  10.523 -10.234
  557    HB2  ALA  72           HB2      ALA  72   8.199   9.989  -8.879
  558    HB3  ALA  72           HB3      ALA  72   6.440   9.777  -8.801
  559    H    GLY  73           H        GLY  73   7.434  12.889 -10.820
  560    HA2  GLY  73           HA2      GLY  73   8.975  15.030 -10.779
  561    HA3  GLY  73           HA3      GLY  73  10.190  13.815 -10.338
  562    H    GLY  74           H        GLY  74  11.188  14.525 -12.387
  563    HA2  GLY  74           HA2      GLY  74  10.077  13.666 -14.929
  564    HA3  GLY  74           HA3      GLY  74  11.747  14.138 -14.601
  565    H    LEU  75           H        LEU  75  11.387  12.006 -16.229
  566    HA   LEU  75           HA       LEU  75  11.019   9.462 -15.151
  567    HB2  LEU  75           HB2      LEU  75  11.078   9.884 -17.521
  568    HB3  LEU  75           HB3      LEU  75  12.757  10.421 -17.443
  569    HG   LEU  75           HG       LEU  75  13.494   8.127 -16.902
  570   HD11  LEU  75          HD11      LEU  75  11.982   6.211 -17.061
  571   HD12  LEU  75          HD12      LEU  75  11.413   7.276 -15.767
  572   HD13  LEU  75          HD13      LEU  75  10.600   7.263 -17.351
  573   HD21  LEU  75          HD21      LEU  75  13.355   8.916 -19.235
  574   HD22  LEU  75          HD22      LEU  75  13.078   7.179 -19.105
  575   HD23  LEU  75          HD23      LEU  75  11.702   8.267 -19.357
  576    H    LYS  76           H        LYS  76  13.934  11.477 -14.939
  577    HA   LYS  76           HA       LYS  76  15.712   9.368 -14.119
  578    HB2  LYS  76           HB2      LYS  76  15.825  12.381 -13.642
  579    HB3  LYS  76           HB3      LYS  76  17.137  11.250 -13.294
  580    HG2  LYS  76           HG2      LYS  76  17.225  10.590 -15.689
  581    HG3  LYS  76           HG3      LYS  76  15.950  11.767 -16.058
  582    HD2  LYS  76           HD2      LYS  76  17.400  13.604 -15.234
  583    HD3  LYS  76           HD3      LYS  76  18.683  12.426 -14.872
  584    HE2  LYS  76           HE2      LYS  76  18.748  11.768 -17.270
  585    HE3  LYS  76           HE3      LYS  76  17.474  12.940 -17.630
  586    HZ1  LYS  76           HZ1      LYS  76  19.659  13.827 -18.130
  587    HZ2  LYS  76           HZ2      LYS  76  18.990  14.703 -16.932
  588    HZ3  LYS  76           HZ3      LYS  76  20.168  13.619 -16.598
  589    H    ASP  77           H        ASP  77  13.186  11.109 -12.356
  590    HA   ASP  77           HA       ASP  77  14.511  11.008  -9.795
  591    HB2  ASP  77           HB2      ASP  77  12.784  12.684 -10.302
  592    HB3  ASP  77           HB3      ASP  77  11.569  11.411 -10.467
  593    H    ILE  78           H        ILE  78  11.843   9.061 -11.277
  594    HA   ILE  78           HA       ILE  78  11.204   7.692  -8.967
  595    HB   ILE  78           HB       ILE  78  10.856   6.447 -11.711
  596   HG12  ILE  78          HG12      ILE  78   8.533   7.793 -11.494
  597   HG13  ILE  78          HG13      ILE  78   9.543   8.937 -10.618
  598   HG21  ILE  78          HG21      ILE  78   9.115   6.503  -9.199
  599   HG22  ILE  78          HG22      ILE  78   8.768   5.614 -10.693
  600   HG23  ILE  78          HG23      ILE  78  10.153   5.154  -9.703
  601   HD11  ILE  78          HD11      ILE  78   9.547   9.643 -12.892
  602   HD12  ILE  78          HD12      ILE  78  11.104   8.849 -12.717
  603   HD13  ILE  78          HD13      ILE  78   9.782   7.995 -13.502
  604    H    ALA  79           H        ALA  79  12.356   6.363  -7.755
  605    HA   ALA  79           HA       ALA  79  14.762   5.046  -8.704
  606    HB1  ALA  79           HB1      ALA  79  15.046   4.478  -6.322
  607    HB2  ALA  79           HB2      ALA  79  14.681   6.200  -6.526
  608    HB3  ALA  79           HB3      ALA  79  13.413   5.084  -5.965
  609    H    MET  80           H        MET  80  13.078   3.895 -10.275
  610    HA   MET  80           HA       MET  80  12.502   1.196  -9.182
  611    HB2  MET  80           HB2      MET  80  10.635   2.981 -10.794
  612    HB3  MET  80           HB3      MET  80  10.411   1.236 -10.646
  613    HG2  MET  80           HG2      MET  80  10.189   1.429  -8.207
  614    HG3  MET  80           HG3      MET  80  10.492   3.164  -8.302
  615    HE1  MET  80           HE1      MET  80   7.941   0.261  -8.863
  616    HE2  MET  80           HE2      MET  80   6.597   1.069  -9.696
  617    HE3  MET  80           HE3      MET  80   8.124   0.783 -10.555
  618    HA   PRO  81           HA       PRO  81  14.463  -0.270 -12.923
  619    HB2  PRO  81           HB2      PRO  81  12.026  -2.042 -13.198
  620    HB3  PRO  81           HB3      PRO  81  13.757  -2.479 -13.355
  621    HG2  PRO  81           HG2      PRO  81  12.407  -3.056 -11.080
  622    HG3  PRO  81           HG3      PRO  81  14.068  -2.383 -10.987
  623    HD2  PRO  81           HD2      PRO  81  11.432  -0.941 -10.643
  624    HD3  PRO  81           HD3      PRO  81  12.938  -0.809  -9.683
  625    H    LYS  82           H        LYS  82  14.288  -0.167 -15.226
  626    HA   LYS  82           HA       LYS  82  11.844   1.062 -16.347
  627    HB2  LYS  82           HB2      LYS  82  14.694   2.107 -16.667
  628    HB3  LYS  82           HB3      LYS  82  13.315   2.658 -17.627
  629    HG2  LYS  82           HG2      LYS  82  12.221   3.606 -15.697
  630    HG3  LYS  82           HG3      LYS  82  13.379   2.853 -14.597
  631    HD2  LYS  82           HD2      LYS  82  15.214   4.239 -15.630
  632    HD3  LYS  82           HD3      LYS  82  13.979   5.071 -16.579
  633    HE2  LYS  82           HE2      LYS  82  14.411   6.420 -14.615
  634    HE3  LYS  82           HE3      LYS  82  12.818   5.697 -14.414
  635    HZ1  LYS  82           HZ1      LYS  82  15.329   4.801 -13.113
  636    HZ2  LYS  82           HZ2      LYS  82  14.043   5.497 -12.377
  637    HZ3  LYS  82           HZ3      LYS  82  13.913   3.983 -12.977
  638    H    VAL  83           H        VAL  83  11.468   0.427 -18.493
  639    HA   VAL  83           HA       VAL  83  13.376  -1.424 -19.785
  640    HB   VAL  83           HB       VAL  83  11.308  -2.826 -20.211
  641   HG11  VAL  83          HG11      VAL  83  13.090  -3.513 -18.617
  642   HG12  VAL  83          HG12      VAL  83  12.197  -2.724 -17.298
  643   HG13  VAL  83          HG13      VAL  83  11.492  -4.111 -18.149
  644   HG21  VAL  83          HG21      VAL  83   9.575  -1.220 -19.493
  645   HG22  VAL  83          HG22      VAL  83   9.435  -2.778 -18.670
  646   HG23  VAL  83          HG23      VAL  83  10.116  -1.383 -17.813
  647    H    LYS  84           H        LYS  84  12.869  -1.694 -22.084
  648    HA   LYS  84           HA       LYS  84  12.086   0.785 -23.361
  649    HB2  LYS  84           HB2      LYS  84  12.560  -1.982 -24.552
  650    HB3  LYS  84           HB3      LYS  84  12.396  -0.469 -25.450
  651    HG2  LYS  84           HG2      LYS  84  14.431   0.420 -24.261
  652    HG3  LYS  84           HG3      LYS  84  14.612  -1.142 -23.462
  653    HD2  LYS  84           HD2      LYS  84  16.131  -1.081 -25.302
  654    HD3  LYS  84           HD3      LYS  84  14.851  -2.238 -25.697
  655    HE2  LYS  84           HE2      LYS  84  13.737  -0.518 -27.111
  656    HE3  LYS  84           HE3      LYS  84  14.980   0.659 -26.667
  657    HZ1  LYS  84           HZ1      LYS  84  16.615  -0.752 -27.774
  658    HZ2  LYS  84           HZ2      LYS  84  15.467  -1.844 -28.180
  659    HZ3  LYS  84           HZ3      LYS  84  15.431  -0.345 -28.814
  660    H    GLY  85           H        GLY  85  10.371   0.963 -24.964
  661    HA2  GLY  85           HA2      GLY  85   7.744   0.258 -24.254
  662    HA3  GLY  85           HA3      GLY  85   8.302   0.684 -25.875
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1  -2.046   1.572  -1.564
    2    H2   ALA   1           H2       ALA   1  -1.472   0.374  -0.572
    3    H3   ALA   1           H3       ALA   1  -0.887   1.912  -0.462
    4    HA   ALA   1           HA       ALA   1   0.707   0.566  -1.609
    5    HB1  ALA   1           HB1      ALA   1  -0.958  -1.087  -2.482
    6    HB2  ALA   1           HB2      ALA   1  -1.519   0.129  -3.651
    7    HB3  ALA   1           HB3      ALA   1   0.143  -0.496  -3.728
    8    H    GLU   2           H        GLU   2   0.971   1.196  -4.400
    9    HA   GLU   2           HA       GLU   2   0.153   3.938  -4.723
   10    HB2  GLU   2           HB2      GLU   2   2.286   4.906  -5.175
   11    HB3  GLU   2           HB3      GLU   2   2.365   4.201  -3.570
   12    HG2  GLU   2           HG2      GLU   2   3.545   2.969  -6.091
   13    HG3  GLU   2           HG3      GLU   2   4.413   3.932  -4.907
   14    H    HIS   3           H        HIS   3   0.438   4.700  -6.912
   15    HA   HIS   3           HA       HIS   3   0.906   2.599  -8.975
   16    HB2  HIS   3           HB2      HIS   3  -1.399   4.573  -8.691
   17    HB3  HIS   3           HB3      HIS   3  -0.959   3.826 -10.222
   18    HD1  HIS   3           HD1      HIS   3  -2.298   2.677  -6.721
   19    HD2  HIS   3           HD2      HIS   3  -1.833   1.431 -10.736
   20    HE1  HIS   3           HE1      HIS   3  -3.576   0.510  -6.958
   21    H    TRP   4           H        TRP   4   2.639   3.255 -10.095
   22    HA   TRP   4           HA       TRP   4   3.395   6.070 -10.420
   23    HB2  TRP   4           HB2      TRP   4   4.330   3.547 -11.861
   24    HB3  TRP   4           HB3      TRP   4   5.064   5.139 -11.983
   25    HD1  TRP   4           HD1      TRP   4   5.045   2.032  -9.868
   26    HE1  TRP   4           HE1      TRP   4   6.759   2.198  -7.994
   27    HE3  TRP   4           HE3      TRP   4   6.248   6.988 -10.336
   28    HZ2  TRP   4           HZ2      TRP   4   8.514   4.223  -6.864
   29    HZ3  TRP   4           HZ3      TRP   4   7.959   7.999  -8.858
   30    HH2  TRP   4           HH2      TRP   4   9.112   6.628  -7.135
   31    H    ILE   5           H        ILE   5   2.872   7.304 -12.302
   32    HA   ILE   5           HA       ILE   5   1.274   5.960 -14.433
   33    HB   ILE   5           HB       ILE   5   0.546   8.574 -13.072
   34   HG12  ILE   5          HG12      ILE   5  -0.090   6.670 -11.614
   35   HG13  ILE   5          HG13      ILE   5  -1.439   7.622 -12.193
   36   HG21  ILE   5          HG21      ILE   5  -1.481   8.473 -14.529
   37   HG22  ILE   5          HG22      ILE   5   0.017   8.585 -15.462
   38   HG23  ILE   5          HG23      ILE   5  -0.800   7.032 -15.328
   39   HD11  ILE   5          HD11      ILE   5  -0.660   4.957 -13.436
   40   HD12  ILE   5          HD12      ILE   5  -1.867   5.161 -12.157
   41   HD13  ILE   5          HD13      ILE   5  -2.132   5.901 -13.740
   42    H    ASP   6           H        ASP   6   2.122   6.445 -16.360
   43    HA   ASP   6           HA       ASP   6   4.101   8.652 -16.680
   44    HB2  ASP   6           HB2      ASP   6   4.812   6.652 -17.793
   45    HB3  ASP   6           HB3      ASP   6   3.182   6.305 -18.369
   46    H    VAL   7           H        VAL   7   3.224  10.538 -17.232
   47    HA   VAL   7           HA       VAL   7   0.551  10.540 -18.584
   48    HB   VAL   7           HB       VAL   7  -0.020  12.619 -17.621
   49   HG11  VAL   7          HG11      VAL   7  -0.451  10.664 -16.236
   50   HG12  VAL   7          HG12      VAL   7   1.130  10.842 -15.434
   51   HG13  VAL   7          HG13      VAL   7  -0.118  12.090 -15.253
   52   HG21  VAL   7          HG21      VAL   7   2.688  12.670 -16.208
   53   HG22  VAL   7          HG22      VAL   7   2.278  13.674 -17.617
   54   HG23  VAL   7          HG23      VAL   7   1.374  13.871 -16.127
   55    H    ARG   8           H        ARG   8   3.362  10.481 -19.894
   56    HA   ARG   8           HA       ARG   8   2.987  12.937 -21.564
   57    HB2  ARG   8           HB2      ARG   8   5.282  12.093 -20.381
   58    HB3  ARG   8           HB3      ARG   8   5.393  11.202 -21.892
   59    HG2  ARG   8           HG2      ARG   8   5.003  13.427 -23.113
   60    HG3  ARG   8           HG3      ARG   8   5.092  14.226 -21.539
   61    HD2  ARG   8           HD2      ARG   8   7.377  13.429 -21.225
   62    HD3  ARG   8           HD3      ARG   8   7.285  12.466 -22.704
   63    HE   ARG   8           HE       ARG   8   7.033  15.454 -22.674
   64   HH11  ARG   8          HH11      ARG   8   8.568  12.563 -24.084
   65   HH12  ARG   8          HH12      ARG   8   9.416  13.448 -25.293
   66   HH21  ARG   8          HH21      ARG   8   8.165  16.609 -24.285
   67   HH22  ARG   8          HH22      ARG   8   9.189  15.792 -25.399
   68    H    VAL   9           H        VAL   9   4.232  12.002 -23.889
   69    HA   VAL   9           HA       VAL   9   2.038  10.582 -25.112
   70    HB   VAL   9           HB       VAL   9   3.572  10.659 -27.137
   71   HG11  VAL   9          HG11      VAL   9   2.981  13.310 -25.746
   72   HG12  VAL   9          HG12      VAL   9   3.261  13.068 -27.483
   73   HG13  VAL   9          HG13      VAL   9   1.838  12.354 -26.712
   74   HG21  VAL   9          HG21      VAL   9   5.548  12.029 -27.132
   75   HG22  VAL   9          HG22      VAL   9   5.337  12.487 -25.439
   76   HG23  VAL   9          HG23      VAL   9   5.767  10.818 -25.861
   77    HA   PRO  10           HA       PRO  10   3.425   6.344 -24.693
   78    HB2  PRO  10           HB2      PRO  10   2.949   6.160 -27.670
   79    HB3  PRO  10           HB3      PRO  10   2.435   5.034 -26.376
   80    HG2  PRO  10           HG2      PRO  10   0.674   6.794 -27.460
   81    HG3  PRO  10           HG3      PRO  10   0.688   6.498 -25.693
   82    HD2  PRO  10           HD2      PRO  10   1.871   8.816 -27.223
   83    HD3  PRO  10           HD3      PRO  10   0.986   8.806 -25.667
   84    H    GLU  11           H        GLU  11   4.904   8.492 -27.093
   85    HA   GLU  11           HA       GLU  11   6.941   6.794 -28.022
   86    HB2  GLU  11           HB2      GLU  11   6.987   9.820 -27.659
   87    HB3  GLU  11           HB3      GLU  11   8.143   8.880 -28.608
   88    HG2  GLU  11           HG2      GLU  11   6.253   8.049 -30.035
   89    HG3  GLU  11           HG3      GLU  11   5.150   9.104 -29.147
   90    H    GLN  12           H        GLN  12   6.745   8.497 -24.857
   91    HA   GLN  12           HA       GLN  12   9.556   7.783 -24.319
   92    HB2  GLN  12           HB2      GLN  12   9.341   8.511 -22.130
   93    HB3  GLN  12           HB3      GLN  12   8.635   9.741 -23.160
   94    HG2  GLN  12           HG2      GLN  12   6.411   9.221 -22.383
   95    HG3  GLN  12           HG3      GLN  12   6.941   7.737 -21.598
   96   HE21  GLN  12          HE21      GLN  12   7.554   7.782 -19.471
   97   HE22  GLN  12          HE22      GLN  12   7.764   9.251 -18.563
   98    H    TYR  13           H        TYR  13   6.284   6.559 -23.486
   99    HA   TYR  13           HA       TYR  13   7.016   4.611 -21.723
  100    HB2  TYR  13           HB2      TYR  13   4.693   5.465 -22.382
  101    HB3  TYR  13           HB3      TYR  13   4.734   4.332 -23.717
  102    HD1  TYR  13           HD2      TYR  13   4.728   4.666 -20.014
  103    HD2  TYR  13           HD1      TYR  13   4.288   1.963 -23.347
  104    HE1  TYR  13           HE2      TYR  13   3.893   2.924 -18.478
  105    HE2  TYR  13           HE1      TYR  13   3.415   0.219 -21.820
  106    HH   TYR  13           HH       TYR  13   3.156   0.720 -18.266
  107    H    GLN  14           H        GLN  14   6.779   4.344 -25.254
  108    HA   GLN  14           HA       GLN  14   7.263   1.585 -25.555
  109    HB2  GLN  14           HB2      GLN  14   7.821   4.001 -27.314
  110    HB3  GLN  14           HB3      GLN  14   8.088   2.338 -27.866
  111    HG2  GLN  14           HG2      GLN  14   5.769   1.761 -27.623
  112    HG3  GLN  14           HG3      GLN  14   5.403   3.241 -26.752
  113   HE21  GLN  14          HE22      GLN  14   3.654   3.209 -28.493
  114   HE22  GLN  14          HE21      GLN  14   4.020   4.043 -29.983
  115    H    GLN  15           H        GLN  15   9.673   4.312 -25.538
  116    HA   GLN  15           HA       GLN  15  11.811   2.416 -25.994
  117    HB2  GLN  15           HB2      GLN  15  13.326   4.301 -25.890
  118    HB3  GLN  15           HB3      GLN  15  11.964   4.598 -26.966
  119    HG2  GLN  15           HG2      GLN  15  10.897   5.950 -25.127
  120    HG3  GLN  15           HG3      GLN  15  12.387   5.792 -24.195
  121   HE21  GLN  15          HE22      GLN  15  10.726   7.469 -26.734
  122   HE22  GLN  15          HE21      GLN  15  12.049   8.513 -27.234
  123    H    GLU  16           H        GLU  16  10.634   4.174 -23.053
  124    HA   GLU  16           HA       GLU  16  11.314   1.937 -21.505
  125    HB2  GLU  16           HB2      GLU  16  12.967   2.784 -19.959
  126    HB3  GLU  16           HB3      GLU  16  13.636   2.749 -21.570
  127    HG2  GLU  16           HG2      GLU  16  12.984   5.293 -21.669
  128    HG3  GLU  16           HG3      GLU  16  12.833   5.148 -19.910
  129    H    HIS  17           H        HIS  17  10.065   1.955 -19.641
  130    HA   HIS  17           HA       HIS  17   9.057   4.549 -18.624
  131    HB2  HIS  17           HB2      HIS  17   6.847   3.700 -18.346
  132    HB3  HIS  17           HB3      HIS  17   7.288   3.495 -20.026
  133    HD1  HIS  17           HD1      HIS  17   6.635   1.381 -16.868
  134    HD2  HIS  17           HD2      HIS  17   7.295   1.011 -21.009
  135    HE1  HIS  17           HE1      HIS  17   5.921  -0.979 -17.508
  136    H    VAL  18           H        VAL  18   8.539   4.467 -16.391
  137    HA   VAL  18           HA       VAL  18  10.263   2.950 -14.698
  138    HB   VAL  18           HB       VAL  18   7.727   4.582 -14.268
  139   HG11  VAL  18          HG11      VAL  18   7.818   3.053 -12.375
  140   HG12  VAL  18          HG12      VAL  18   9.543   3.390 -12.135
  141   HG13  VAL  18          HG13      VAL  18   8.325   4.656 -11.848
  142   HG21  VAL  18          HG21      VAL  18   9.745   5.813 -15.058
  143   HG22  VAL  18          HG22      VAL  18   9.273   6.279 -13.435
  144   HG23  VAL  18          HG23      VAL  18  10.659   5.187 -13.671
  145    H    GLN  19           H        GLN  19  10.046   0.943 -13.854
  146    HA   GLN  19           HA       GLN  19   8.223  -0.903 -14.933
  147    HB2  GLN  19           HB2      GLN  19  10.426  -1.414 -13.956
  148    HB3  GLN  19           HB3      GLN  19   9.832  -1.052 -12.337
  149    HG2  GLN  19           HG2      GLN  19   8.580  -3.208 -14.102
  150    HG3  GLN  19           HG3      GLN  19  10.000  -3.517 -13.117
  151   HE21  GLN  19          HE22      GLN  19   6.500  -3.128 -13.018
  152   HE22  GLN  19          HE21      GLN  19   6.335  -3.433 -11.312
  153    H    GLY  20           H        GLY  20   6.092  -1.066 -14.639
  154    HA2  GLY  20           HA2      GLY  20   4.227  -1.596 -13.269
  155    HA3  GLY  20           HA3      GLY  20   4.903  -0.636 -11.948
  156    H    ALA  21           H        ALA  21   5.510   1.404 -14.376
  157    HA   ALA  21           HA       ALA  21   3.101   2.996 -13.961
  158    HB1  ALA  21           HB1      ALA  21   4.109   4.635 -15.485
  159    HB2  ALA  21           HB2      ALA  21   5.349   4.050 -14.349
  160    HB3  ALA  21           HB3      ALA  21   5.304   3.432 -16.019
  161    H    ILE  22           H        ILE  22   1.780   3.795 -15.639
  162    HA   ILE  22           HA       ILE  22   1.409   2.128 -18.040
  163    HB   ILE  22           HB       ILE  22  -1.074   2.290 -17.584
  164   HG12  ILE  22          HG12      ILE  22  -0.213   2.791 -14.695
  165   HG13  ILE  22          HG13      ILE  22  -1.008   3.968 -15.741
  166   HG21  ILE  22          HG21      ILE  22   0.479   0.528 -15.642
  167   HG22  ILE  22          HG22      ILE  22  -1.108   0.195 -16.368
  168   HG23  ILE  22          HG23      ILE  22   0.330   0.213 -17.383
  169   HD11  ILE  22          HD11      ILE  22  -2.207   1.349 -14.749
  170   HD12  ILE  22          HD12      ILE  22  -2.606   2.980 -14.213
  171   HD13  ILE  22          HD13      ILE  22  -3.003   2.480 -15.873
  172    H    ASN  23           H        ASN  23   0.698   3.333 -19.785
  173    HA   ASN  23           HA       ASN  23   1.307   6.182 -19.609
  174    HB2  ASN  23           HB2      ASN  23   2.126   4.902 -21.518
  175    HB3  ASN  23           HB3      ASN  23   0.477   4.421 -21.951
  176   HD21  ASN  23          HD22      ASN  23   2.603   7.312 -21.493
  177   HD22  ASN  23          HD21      ASN  23   1.665   8.384 -22.504
  178    H    ILE  24           H        ILE  24  -0.192   7.492 -18.829
  179    HA   ILE  24           HA       ILE  24  -2.986   7.391 -19.840
  180    HB   ILE  24           HB       ILE  24  -2.213   8.045 -16.972
  181   HG12  ILE  24          HG12      ILE  24  -1.865   5.616 -17.280
  182   HG13  ILE  24          HG13      ILE  24  -3.127   6.031 -16.142
  183   HG21  ILE  24          HG21      ILE  24  -4.866   7.662 -18.382
  184   HG22  ILE  24          HG22      ILE  24  -4.686   7.926 -16.625
  185   HG23  ILE  24          HG23      ILE  24  -4.203   9.183 -17.780
  186   HD11  ILE  24          HD11      ILE  24  -4.873   5.405 -17.727
  187   HD12  ILE  24          HD12      ILE  24  -3.661   5.142 -18.996
  188   HD13  ILE  24          HD13      ILE  24  -3.701   4.088 -17.575
  189    HA   PRO  25           HA       PRO  25  -0.380  11.078 -20.789
  190    HB2  PRO  25           HB2      PRO  25  -2.593  11.455 -22.814
  191    HB3  PRO  25           HB3      PRO  25  -0.829  11.738 -23.002
  192    HG2  PRO  25           HG2      PRO  25  -1.892   9.450 -23.949
  193    HG3  PRO  25           HG3      PRO  25  -0.382   9.378 -22.973
  194    HD2  PRO  25           HD2      PRO  25  -3.228   8.897 -22.041
  195    HD3  PRO  25           HD3      PRO  25  -1.779   7.888 -21.773
  196    H    LEU  26           H        LEU  26  -0.518  13.282 -20.365
  197    HA   LEU  26           HA       LEU  26  -2.152  14.289 -18.443
  198    HB2  LEU  26           HB2      LEU  26  -0.066  15.329 -19.167
  199    HB3  LEU  26           HB3      LEU  26  -0.756  15.718 -20.742
  200    HG   LEU  26           HG       LEU  26  -2.360  17.301 -19.657
  201   HD11  LEU  26          HD11      LEU  26  -1.996  17.969 -17.313
  202   HD12  LEU  26          HD12      LEU  26  -2.447  16.263 -17.399
  203   HD13  LEU  26          HD13      LEU  26  -0.750  16.712 -17.141
  204   HD21  LEU  26          HD21      LEU  26  -0.738  19.048 -19.172
  205   HD22  LEU  26          HD22      LEU  26   0.550  17.842 -18.973
  206   HD23  LEU  26          HD23      LEU  26  -0.210  18.089 -20.563
  207    H    LYS  27           H        LYS  27  -2.814  14.446 -21.953
  208    HA   LYS  27           HA       LYS  27  -5.055  16.217 -21.756
  209    HB2  LYS  27           HB2      LYS  27  -4.327  14.173 -23.904
  210    HB3  LYS  27           HB3      LYS  27  -5.521  15.452 -24.093
  211    HG2  LYS  27           HG2      LYS  27  -2.535  15.899 -23.626
  212    HG3  LYS  27           HG3      LYS  27  -3.379  16.001 -25.172
  213    HD2  LYS  27           HD2      LYS  27  -4.787  17.863 -24.258
  214    HD3  LYS  27           HD3      LYS  27  -3.829  17.814 -22.759
  215    HE2  LYS  27           HE2      LYS  27  -1.767  18.274 -24.050
  216    HE3  LYS  27           HE3      LYS  27  -2.701  18.299 -25.551
  217    HZ1  LYS  27           HZ1      LYS  27  -3.903  20.226 -24.700
  218    HZ2  LYS  27           HZ2      LYS  27  -3.044  20.208 -23.308
  219    HZ3  LYS  27           HZ3      LYS  27  -2.304  20.527 -24.724
  220    H    GLU  28           H        GLU  28  -4.845  12.939 -20.765
  221    HA   GLU  28           HA       GLU  28  -7.807  12.602 -20.977
  222    HB2  GLU  28           HB2      GLU  28  -5.658  10.473 -21.225
  223    HB3  GLU  28           HB3      GLU  28  -7.410  10.266 -21.405
  224    HG2  GLU  28           HG2      GLU  28  -7.338  11.767 -23.408
  225    HG3  GLU  28           HG3      GLU  28  -5.571  11.793 -23.288
  226    H    VAL  29           H        VAL  29  -4.975  12.508 -18.916
  227    HA   VAL  29           HA       VAL  29  -5.583  10.688 -17.031
  228    HB   VAL  29           HB       VAL  29  -3.542  12.279 -17.335
  229   HG11  VAL  29          HG11      VAL  29  -4.953  13.950 -15.230
  230   HG12  VAL  29          HG12      VAL  29  -3.354  14.199 -15.950
  231   HG13  VAL  29          HG13      VAL  29  -4.799  14.414 -16.940
  232   HG21  VAL  29          HG21      VAL  29  -4.467  11.514 -14.549
  233   HG22  VAL  29          HG22      VAL  29  -3.585  10.484 -15.695
  234   HG23  VAL  29          HG23      VAL  29  -2.804  11.921 -15.025
  235    H    LYS  30           H        LYS  30  -7.187  13.824 -17.335
  236    HA   LYS  30           HA       LYS  30  -8.480  14.048 -14.856
  237    HB2  LYS  30           HB2      LYS  30  -8.423  15.679 -16.804
  238    HB3  LYS  30           HB3      LYS  30  -9.761  14.748 -17.501
  239    HG2  LYS  30           HG2      LYS  30 -11.071  15.103 -15.402
  240    HG3  LYS  30           HG3      LYS  30  -9.734  16.033 -14.714
  241    HD2  LYS  30           HD2      LYS  30 -11.275  16.731 -17.229
  242    HD3  LYS  30           HD3      LYS  30 -11.586  17.395 -15.613
  243    HE2  LYS  30           HE2      LYS  30  -9.304  18.374 -15.567
  244    HE3  LYS  30           HE3      LYS  30  -8.993  17.738 -17.188
  245    HZ1  LYS  30           HZ1      LYS  30 -11.077  19.735 -16.515
  246    HZ2  LYS  30           HZ2      LYS  30  -9.666  20.052 -17.264
  247    HZ3  LYS  30           HZ3      LYS  30 -10.792  19.145 -18.013
  248    H    GLU  31           H        GLU  31  -9.347  11.960 -17.638
  249    HA   GLU  31           HA       GLU  31 -11.774  11.051 -16.132
  250    HB2  GLU  31           HB2      GLU  31 -11.043  10.881 -19.084
  251    HB3  GLU  31           HB3      GLU  31 -12.479  10.158 -18.345
  252    HG2  GLU  31           HG2      GLU  31 -13.210  12.421 -17.581
  253    HG3  GLU  31           HG3      GLU  31 -11.819  13.137 -18.398
  254    H    ARG  32           H        ARG  32  -8.889   9.883 -17.961
  255    HA   ARG  32           HA       ARG  32  -9.521   7.117 -17.619
  256    HB2  ARG  32           HB2      ARG  32  -6.928   8.572 -18.226
  257    HB3  ARG  32           HB3      ARG  32  -7.064   6.803 -18.186
  258    HG2  ARG  32           HG2      ARG  32  -8.810   6.914 -19.976
  259    HG3  ARG  32           HG3      ARG  32  -8.602   8.668 -20.038
  260    HD2  ARG  32           HD2      ARG  32  -7.312   7.747 -21.825
  261    HD3  ARG  32           HD3      ARG  32  -6.165   8.309 -20.593
  262    HE   ARG  32           HE       ARG  32  -6.785   5.551 -20.165
  263   HH11  ARG  32          HH21      ARG  32  -5.103   7.528 -22.627
  264   HH12  ARG  32          HH22      ARG  32  -3.893   6.322 -22.921
  265   HH21  ARG  32          HH11      ARG  32  -5.241   3.924 -20.702
  266   HH22  ARG  32          HH12      ARG  32  -3.951   4.276 -21.786
  267    H    ILE  33           H        ILE  33  -8.043   9.368 -15.299
  268    HA   ILE  33           HA       ILE  33  -6.712   7.410 -13.782
  269    HB   ILE  33           HB       ILE  33  -6.519   9.864 -13.466
  270   HG12  ILE  33          HG12      ILE  33  -6.413   9.736 -10.910
  271   HG13  ILE  33          HG13      ILE  33  -7.006   8.095 -11.058
  272   HG21  ILE  33          HG21      ILE  33  -9.136   9.657 -11.912
  273   HG22  ILE  33          HG22      ILE  33  -8.106  11.084 -12.066
  274   HG23  ILE  33          HG23      ILE  33  -8.942  10.454 -13.483
  275   HD11  ILE  33          HD11      ILE  33  -4.550   8.201 -10.857
  276   HD12  ILE  33          HD12      ILE  33  -5.026   7.469 -12.395
  277   HD13  ILE  33          HD13      ILE  33  -4.458   9.154 -12.350
  278    H    ALA  34           H        ALA  34 -10.190   8.056 -14.091
  279    HA   ALA  34           HA       ALA  34 -11.063   6.873 -11.694
  280    HB1  ALA  34           HB1      ALA  34 -12.484   6.972 -14.390
  281    HB2  ALA  34           HB2      ALA  34 -13.244   6.729 -12.805
  282    HB3  ALA  34           HB3      ALA  34 -12.467   8.279 -13.179
  283    H    THR  35           H        THR  35  -9.891   5.276 -14.642
  284    HA   THR  35           HA       THR  35 -10.724   2.644 -13.547
  285    HB   THR  35           HB       THR  35 -10.215   1.995 -15.989
  286    HG1  THR  35           HG1      THR  35 -10.269   3.631 -17.466
  287   HG21  THR  35          HG21      THR  35 -12.512   2.142 -15.053
  288   HG22  THR  35          HG22      THR  35 -12.558   3.878 -15.428
  289   HG23  THR  35          HG23      THR  35 -12.464   2.680 -16.738
  290    H    ALA  36           H        ALA  36  -7.932   4.630 -14.580
  291    HA   ALA  36           HA       ALA  36  -5.977   2.560 -14.421
  292    HB1  ALA  36           HB1      ALA  36  -4.378   4.414 -14.220
  293    HB2  ALA  36           HB2      ALA  36  -5.596   4.789 -15.454
  294    HB3  ALA  36           HB3      ALA  36  -5.684   5.537 -13.842
  295    H    VAL  37           H        VAL  37  -7.340   4.772 -11.933
  296    HA   VAL  37           HA       VAL  37  -6.304   3.055  -9.771
  297    HB   VAL  37           HB       VAL  37  -5.927   6.025  -9.716
  298   HG11  VAL  37          HG11      VAL  37  -6.215   4.894  -7.521
  299   HG12  VAL  37          HG12      VAL  37  -4.892   3.780  -7.924
  300   HG13  VAL  37          HG13      VAL  37  -4.578   5.511  -7.706
  301   HG21  VAL  37          HG21      VAL  37  -4.327   5.233 -11.362
  302   HG22  VAL  37          HG22      VAL  37  -3.486   5.616  -9.863
  303   HG23  VAL  37          HG23      VAL  37  -3.818   3.919 -10.278
  304    HA   PRO  38           HA       PRO  38 -10.737   4.309  -9.602
  305    HB2  PRO  38           HB2      PRO  38 -11.796   1.997  -8.537
  306    HB3  PRO  38           HB3      PRO  38 -11.438   2.231 -10.273
  307    HG2  PRO  38           HG2      PRO  38  -9.729   0.854  -8.186
  308    HG3  PRO  38           HG3      PRO  38 -10.137   0.288  -9.836
  309    HD2  PRO  38           HD2      PRO  38  -7.777   1.527  -9.276
  310    HD3  PRO  38           HD3      PRO  38  -8.622   1.804 -10.829
  311    H    ASP  39           H        ASP  39  -8.743   2.883  -6.991
  312    HA   ASP  39           HA       ASP  39 -10.399   4.084  -4.866
  313    HB2  ASP  39           HB2      ASP  39  -9.298   1.977  -4.382
  314    HB3  ASP  39           HB3      ASP  39  -7.718   2.658  -4.778
  315    H    LYS  40           H        LYS  40 -10.391   6.293  -5.298
  316    HA   LYS  40           HA       LYS  40  -8.040   7.652  -6.096
  317    HB2  LYS  40           HB2      LYS  40  -9.301   9.674  -5.963
  318    HB3  LYS  40           HB3      LYS  40 -10.273   8.405  -6.695
  319    HG2  LYS  40           HG2      LYS  40 -11.647   8.212  -4.713
  320    HG3  LYS  40           HG3      LYS  40 -10.529   9.208  -3.766
  321    HD2  LYS  40           HD2      LYS  40 -12.492  10.518  -4.402
  322    HD3  LYS  40           HD3      LYS  40 -11.024  11.171  -5.137
  323    HE2  LYS  40           HE2      LYS  40 -11.612   9.993  -7.281
  324    HE3  LYS  40           HE3      LYS  40 -13.113   9.440  -6.528
  325    HZ1  LYS  40           HZ1      LYS  40 -13.711  11.810  -6.251
  326    HZ2  LYS  40           HZ2      LYS  40 -12.357  12.267  -7.068
  327    HZ3  LYS  40           HZ3      LYS  40 -13.521  11.404  -7.815
  328    H    ASN  41           H        ASN  41  -8.380   6.377  -3.088
  329    HA   ASN  41           HA       ASN  41  -6.808   8.582  -1.834
  330    HB2  ASN  41           HB2      ASN  41  -8.854   7.875  -0.613
  331    HB3  ASN  41           HB3      ASN  41  -8.226   6.223  -0.542
  332   HD21  ASN  41          HD22      ASN  41  -7.136   9.607   0.239
  333   HD22  ASN  41          HD21      ASN  41  -6.439   9.172   1.786
  334    H    ASP  42           H        ASP  42  -6.385   5.646  -3.515
  335    HA   ASP  42           HA       ASP  42  -4.054   4.693  -2.037
  336    HB2  ASP  42           HB2      ASP  42  -5.403   3.265  -3.622
  337    HB3  ASP  42           HB3      ASP  42  -4.775   4.243  -4.959
  338    H    THR  43           H        THR  43  -1.807   5.059  -2.722
  339    HA   THR  43           HA       THR  43  -1.339   7.800  -3.289
  340    HB   THR  43           HB       THR  43   0.700   5.589  -3.509
  341    HG1  THR  43           HG1      THR  43   0.035   5.014  -1.664
  342   HG21  THR  43          HG21      THR  43   2.262   7.159  -2.520
  343   HG22  THR  43          HG22      THR  43   1.545   7.854  -3.979
  344   HG23  THR  43          HG23      THR  43   0.986   8.389  -2.379
  345    H    VAL  44           H        VAL  44  -0.608   8.866  -5.187
  346    HA   VAL  44           HA       VAL  44  -0.300   7.186  -7.632
  347    HB   VAL  44           HB       VAL  44  -1.776   9.845  -7.549
  348   HG11  VAL  44          HG11      VAL  44  -1.376   7.769  -9.754
  349   HG12  VAL  44          HG12      VAL  44  -2.378   9.227  -9.894
  350   HG13  VAL  44          HG13      VAL  44  -0.633   9.384  -9.696
  351   HG21  VAL  44          HG21      VAL  44  -2.880   7.021  -7.762
  352   HG22  VAL  44          HG22      VAL  44  -3.250   8.230  -6.513
  353   HG23  VAL  44          HG23      VAL  44  -3.807   8.486  -8.166
  354    H    LYS  45           H        LYS  45   1.485   7.687  -8.773
  355    HA   LYS  45           HA       LYS  45   3.081  10.096  -7.982
  356    HB2  LYS  45           HB2      LYS  45   4.001   7.231  -8.439
  357    HB3  LYS  45           HB3      LYS  45   5.086   8.625  -8.346
  358    HG2  LYS  45           HG2      LYS  45   4.397   9.091  -6.049
  359    HG3  LYS  45           HG3      LYS  45   3.184   7.797  -6.106
  360    HD2  LYS  45           HD2      LYS  45   4.937   6.114  -6.450
  361    HD3  LYS  45           HD3      LYS  45   6.187   7.360  -6.414
  362    HE2  LYS  45           HE2      LYS  45   4.262   6.960  -4.091
  363    HE3  LYS  45           HE3      LYS  45   5.705   5.958  -4.270
  364    HZ1  LYS  45           HZ1      LYS  45   6.124   7.854  -2.849
  365    HZ2  LYS  45           HZ2      LYS  45   7.064   7.939  -4.172
  366    HZ3  LYS  45           HZ3      LYS  45   5.767   8.928  -4.024
  367    H    VAL  46           H        VAL  46   2.380  11.306  -9.742
  368    HA   VAL  46           HA       VAL  46   2.443  10.130 -12.440
  369    HB   VAL  46           HB       VAL  46   1.887  12.511 -13.128
  370   HG11  VAL  46          HG11      VAL  46  -0.483  12.323 -12.440
  371   HG12  VAL  46          HG12      VAL  46   0.168  10.780 -12.991
  372   HG13  VAL  46          HG13      VAL  46  -0.043  11.081 -11.252
  373   HG21  VAL  46          HG21      VAL  46   2.639  13.678 -11.025
  374   HG22  VAL  46          HG22      VAL  46   0.987  14.060 -11.523
  375   HG23  VAL  46          HG23      VAL  46   1.256  12.950 -10.177
  376    H    TYR  47           H        TYR  47   4.038  10.501 -13.993
  377    HA   TYR  47           HA       TYR  47   6.086  12.507 -13.486
  378    HB2  TYR  47           HB2      TYR  47   7.978  11.064 -13.598
  379    HB3  TYR  47           HB3      TYR  47   6.897  10.358 -12.431
  380    HD1  TYR  47           HD1      TYR  47   5.461   8.347 -13.106
  381    HD2  TYR  47           HD2      TYR  47   8.552   9.949 -15.642
  382    HE1  TYR  47           HE1      TYR  47   5.411   6.295 -14.454
  383    HE2  TYR  47           HE2      TYR  47   8.530   7.864 -16.989
  384    HH   TYR  47           HH       TYR  47   6.262   5.197 -16.364
  385    H    CYS  48           H        CYS  48   7.429  12.800 -15.471
  386    HA   CYS  48           HA       CYS  48   6.639  11.531 -17.950
  387    HB2  CYS  48           HB2      CYS  48   6.133  13.666 -19.113
  388    HB3  CYS  48           HB3      CYS  48   4.963  13.362 -17.821
  389    HG   CYS  48           HG       CYS  48   6.280  14.794 -16.027
  390    H    ASN  49           H        ASN  49   8.195  12.362 -19.670
  391    HA   ASN  49           HA       ASN  49  10.805  12.164 -18.998
  392    HB2  ASN  49           HB2      ASN  49   9.748  12.026 -21.290
  393    HB3  ASN  49           HB3      ASN  49   9.766  13.788 -21.343
  394   HD21  ASN  49          HD22      ASN  49  11.310  14.129 -22.988
  395   HD22  ASN  49          HD21      ASN  49  12.932  13.504 -22.931
  396    H    ALA  50           H        ALA  50   9.038  15.137 -18.463
  397    HA   ALA  50           HA       ALA  50  11.596  16.588 -17.964
  398    HB1  ALA  50           HB1      ALA  50   9.181  17.654 -19.490
  399    HB2  ALA  50           HB2      ALA  50  10.686  18.533 -19.145
  400    HB3  ALA  50           HB3      ALA  50  10.717  17.129 -20.223
  401    H    GLY  51           H        GLY  51   9.021  15.466 -16.293
  402    HA2  GLY  51           HA2      GLY  51   8.247  15.971 -14.227
  403    HA3  GLY  51           HA3      GLY  51   9.224  17.447 -14.229
  404    H    ARG  52           H        ARG  52   8.192  18.810 -16.402
  405    HA   ARG  52           HA       ARG  52   6.267  20.254 -15.200
  406    HB2  ARG  52           HB2      ARG  52   7.605  21.070 -17.090
  407    HB3  ARG  52           HB3      ARG  52   6.813  19.944 -18.181
  408    HG2  ARG  52           HG2      ARG  52   5.933  22.050 -18.665
  409    HG3  ARG  52           HG3      ARG  52   4.639  21.193 -17.853
  410    HD2  ARG  52           HD2      ARG  52   6.514  23.134 -16.406
  411    HD3  ARG  52           HD3      ARG  52   5.092  23.678 -17.276
  412    HE   ARG  52           HE       ARG  52   3.644  22.503 -15.792
  413   HH11  ARG  52          HH11      ARG  52   6.976  22.755 -14.558
  414   HH12  ARG  52          HH12      ARG  52   6.495  22.636 -12.908
  415   HH21  ARG  52          HH21      ARG  52   3.022  22.470 -13.696
  416   HH22  ARG  52          HH22      ARG  52   4.168  22.466 -12.383
  417    H    GLN  53           H        GLN  53   5.519  17.869 -17.795
  418    HA   GLN  53           HA       GLN  53   2.742  18.490 -17.781
  419    HB2  GLN  53           HB2      GLN  53   4.059  15.900 -18.684
  420    HB3  GLN  53           HB3      GLN  53   2.465  16.479 -19.144
  421    HG2  GLN  53           HG2      GLN  53   5.113  17.808 -19.880
  422    HG3  GLN  53           HG3      GLN  53   4.144  16.786 -20.922
  423   HE21  GLN  53          HE22      GLN  53   2.435  17.724 -22.105
  424   HE22  GLN  53          HE21      GLN  53   1.964  19.395 -21.937
  425    H    SER  54           H        SER  54   4.623  16.052 -15.924
  426    HA   SER  54           HA       SER  54   2.291  14.956 -14.631
  427    HB2  SER  54           HB2      SER  54   4.118  14.293 -12.911
  428    HB3  SER  54           HB3      SER  54   4.009  13.532 -14.493
  429    HG   SER  54           HG       SER  54   5.748  15.739 -14.009
  430    H    GLY  55           H        GLY  55   4.370  17.775 -13.893
  431    HA2  GLY  55           HA2      GLY  55   3.293  18.480 -11.384
  432    HA3  GLY  55           HA3      GLY  55   3.872  19.593 -12.648
  433    H    GLN  56           H        GLN  56   2.106  19.175 -14.721
  434    HA   GLN  56           HA       GLN  56  -0.215  20.615 -13.931
  435    HB2  GLN  56           HB2      GLN  56   0.123  18.977 -16.446
  436    HB3  GLN  56           HB3      GLN  56  -1.074  20.242 -16.164
  437    HG2  GLN  56           HG2      GLN  56   1.922  20.552 -16.204
  438    HG3  GLN  56           HG3      GLN  56   0.836  21.054 -17.501
  439   HE21  GLN  56          HE22      GLN  56  -0.927  22.759 -16.693
  440   HE22  GLN  56          HE21      GLN  56  -0.328  23.975 -15.596
  441    H    ALA  57           H        ALA  57   0.231  17.164 -14.884
  442    HA   ALA  57           HA       ALA  57  -2.430  16.341 -14.585
  443    HB1  ALA  57           HB1      ALA  57  -1.520  14.055 -14.341
  444    HB2  ALA  57           HB2      ALA  57  -0.693  14.932 -15.642
  445    HB3  ALA  57           HB3      ALA  57   0.097  14.714 -14.059
  446    H    LYS  58           H        LYS  58   0.091  16.749 -12.136
  447    HA   LYS  58           HA       LYS  58  -1.260  15.297 -10.048
  448    HB2  LYS  58           HB2      LYS  58   1.196  16.148 -10.203
  449    HB3  LYS  58           HB3      LYS  58   0.603  17.662  -9.569
  450    HG2  LYS  58           HG2      LYS  58   0.536  14.899  -8.263
  451    HG3  LYS  58           HG3      LYS  58   1.626  16.210  -7.875
  452    HD2  LYS  58           HD2      LYS  58  -1.326  16.028  -7.207
  453    HD3  LYS  58           HD3      LYS  58   0.057  16.116  -6.105
  454    HE2  LYS  58           HE2      LYS  58   0.586  18.389  -7.059
  455    HE3  LYS  58           HE3      LYS  58  -0.908  18.260  -8.018
  456    HZ1  LYS  58           HZ1      LYS  58  -0.752  18.495  -5.085
  457    HZ2  LYS  58           HZ2      LYS  58  -1.386  19.549  -6.198
  458    HZ3  LYS  58           HZ3      LYS  58  -2.139  18.134  -5.914
  459    H    GLU  59           H        GLU  59  -1.437  18.731 -11.114
  460    HA   GLU  59           HA       GLU  59  -3.271  19.468  -8.991
  461    HB2  GLU  59           HB2      GLU  59  -2.481  20.806 -11.606
  462    HB3  GLU  59           HB3      GLU  59  -3.608  21.517 -10.451
  463    HG2  GLU  59           HG2      GLU  59  -0.731  20.743  -9.783
  464    HG3  GLU  59           HG3      GLU  59  -1.255  22.355 -10.245
  465    H    ILE  60           H        ILE  60  -3.692  18.320 -12.390
  466    HA   ILE  60           HA       ILE  60  -6.533  18.634 -12.473
  467    HB   ILE  60           HB       ILE  60  -4.728  16.553 -13.783
  468   HG12  ILE  60          HG12      ILE  60  -6.025  19.080 -14.905
  469   HG13  ILE  60          HG13      ILE  60  -4.327  18.920 -14.464
  470   HG21  ILE  60          HG21      ILE  60  -7.036  15.662 -13.659
  471   HG22  ILE  60          HG22      ILE  60  -7.646  17.157 -14.399
  472   HG23  ILE  60          HG23      ILE  60  -6.593  16.041 -15.304
  473   HD11  ILE  60          HD11      ILE  60  -5.767  17.554 -16.757
  474   HD12  ILE  60          HD12      ILE  60  -4.373  18.640 -16.807
  475   HD13  ILE  60          HD13      ILE  60  -4.194  16.992 -16.157
  476    H    LEU  61           H        LEU  61  -4.488  15.930 -11.276
  477    HA   LEU  61           HA       LEU  61  -6.657  14.263 -10.473
  478    HB2  LEU  61           HB2      LEU  61  -3.749  14.497  -9.579
  479    HB3  LEU  61           HB3      LEU  61  -4.841  13.239  -8.990
  480    HG   LEU  61           HG       LEU  61  -3.804  13.592 -11.827
  481   HD11  LEU  61          HD11      LEU  61  -3.736  11.254  -9.899
  482   HD12  LEU  61          HD12      LEU  61  -3.024  11.304 -11.530
  483   HD13  LEU  61          HD13      LEU  61  -2.385  12.357 -10.264
  484   HD21  LEU  61          HD21      LEU  61  -6.063  13.106 -12.289
  485   HD22  LEU  61          HD22      LEU  61  -5.208  11.581 -12.414
  486   HD23  LEU  61          HD23      LEU  61  -6.161  11.935 -10.950
  487    H    SER  62           H        SER  62  -4.954  16.879  -8.792
  488    HA   SER  62           HA       SER  62  -6.230  16.440  -6.247
  489    HB2  SER  62           HB2      SER  62  -5.068  19.008  -7.394
  490    HB3  SER  62           HB3      SER  62  -5.378  18.645  -5.688
  491    HG   SER  62           HG       SER  62  -3.587  17.224  -7.417
  492    H    GLU  63           H        GLU  63  -7.101  18.408  -9.152
  493    HA   GLU  63           HA       GLU  63  -9.445  19.574  -8.010
  494    HB2  GLU  63           HB2      GLU  63  -8.197  20.324 -10.086
  495    HB3  GLU  63           HB3      GLU  63  -8.868  18.935 -10.935
  496    HG2  GLU  63           HG2      GLU  63 -10.188  20.832 -11.500
  497    HG3  GLU  63           HG3      GLU  63 -11.177  19.806 -10.476
  498    H    MET  64           H        MET  64  -8.847  16.495  -9.726
  499    HA   MET  64           HA       MET  64 -11.579  15.555  -9.644
  500    HB2  MET  64           HB2      MET  64  -8.894  14.168 -10.012
  501    HB3  MET  64           HB3      MET  64 -10.415  13.299 -10.039
  502    HG2  MET  64           HG2      MET  64  -9.682  15.582 -11.906
  503    HG3  MET  64           HG3      MET  64  -9.589  13.871 -12.298
  504    HE1  MET  64           HE1      MET  64 -11.578  12.254 -12.465
  505    HE2  MET  64           HE2      MET  64 -12.435  12.719 -10.979
  506    HE3  MET  64           HE3      MET  64 -13.291  12.730 -12.533
  507    H    GLY  65           H        GLY  65  -9.613  16.258  -7.043
  508    HA2  GLY  65           HA2      GLY  65  -9.996  15.920  -4.838
  509    HA3  GLY  65           HA3      GLY  65 -11.398  14.917  -5.248
  510    H    TYR  66           H        TYR  66  -8.339  13.930  -6.673
  511    HA   TYR  66           HA       TYR  66  -8.264  11.475  -5.103
  512    HB2  TYR  66           HB2      TYR  66  -6.429  12.720  -7.179
  513    HB3  TYR  66           HB3      TYR  66  -5.921  11.372  -6.188
  514    HD1  TYR  66           HD1      TYR  66  -9.004  12.211  -8.235
  515    HD2  TYR  66           HD2      TYR  66  -6.039   9.289  -7.095
  516    HE1  TYR  66           HE1      TYR  66 -10.183  10.493  -9.577
  517    HE2  TYR  66           HE2      TYR  66  -7.197   7.582  -8.439
  518    HH   TYR  66           HH       TYR  66  -9.057   7.070  -9.674
  519    H    THR  67           H        THR  67  -6.515  10.904  -3.681
  520    HA   THR  67           HA       THR  67  -5.140  13.161  -2.331
  521    HB   THR  67           HB       THR  67  -5.678  11.809  -0.165
  522    HG1  THR  67           HG1      THR  67  -7.862  11.059  -1.824
  523   HG21  THR  67          HG21      THR  67  -7.870  13.437  -1.521
  524   HG22  THR  67          HG22      THR  67  -7.735  13.089   0.217
  525   HG23  THR  67          HG23      THR  67  -6.509  14.088  -0.582
  526    H    HIS  68           H        HIS  68  -3.337  12.287  -0.919
  527    HA   HIS  68           HA       HIS  68  -1.252  11.503  -1.054
  528    HB2  HIS  68           HB2      HIS  68  -2.542   8.836  -1.727
  529    HB3  HIS  68           HB3      HIS  68  -0.911   9.084  -1.112
  530    HD1  HIS  68           HD1      HIS  68  -4.016   7.926   0.174
  531    HD2  HIS  68           HD2      HIS  68  -1.112  10.709   1.434
  532    HE1  HIS  68           HE1      HIS  68  -4.282   8.152   2.703
  533    H    VAL  69           H        VAL  69  -2.173  12.832  -3.357
  534    HA   VAL  69           HA       VAL  69  -0.998  11.408  -5.665
  535    HB   VAL  69           HB       VAL  69  -1.947  14.285  -5.684
  536   HG11  VAL  69          HG11      VAL  69  -2.332  13.874  -8.010
  537   HG12  VAL  69          HG12      VAL  69  -0.751  13.172  -7.670
  538   HG13  VAL  69          HG13      VAL  69  -2.160  12.117  -7.816
  539   HG21  VAL  69          HG21      VAL  69  -4.196  13.482  -6.440
  540   HG22  VAL  69          HG22      VAL  69  -3.743  11.845  -5.890
  541   HG23  VAL  69          HG23      VAL  69  -3.881  13.192  -4.733
  542    H    GLU  70           H        GLU  70   1.025  12.019  -6.523
  543    HA   GLU  70           HA       GLU  70   2.491  14.328  -5.424
  544    HB2  GLU  70           HB2      GLU  70   2.900  12.422  -3.876
  545    HB3  GLU  70           HB3      GLU  70   3.297  11.371  -5.235
  546    HG2  GLU  70           HG2      GLU  70   5.333  12.655  -5.687
  547    HG3  GLU  70           HG3      GLU  70   4.895  13.838  -4.445
  548    H    ASN  71           H        ASN  71   4.352  14.800  -6.749
  549    HA   ASN  71           HA       ASN  71   4.549  13.347  -9.335
  550    HB2  ASN  71           HB2      ASN  71   3.748  15.505 -10.000
  551    HB3  ASN  71           HB3      ASN  71   4.755  16.331  -8.804
  552   HD21  ASN  71          HD22      ASN  71   5.570  13.765 -11.304
  553   HD22  ASN  71          HD21      ASN  71   6.733  14.783 -12.111
  554    H    ALA  72           H        ALA  72   6.395  12.213  -9.246
  555    HA   ALA  72           HA       ALA  72   8.262  12.423  -7.140
  556    HB1  ALA  72           HB1      ALA  72   9.584  10.820  -8.482
  557    HB2  ALA  72           HB2      ALA  72   7.865  10.380  -8.462
  558    HB3  ALA  72           HB3      ALA  72   8.568  11.156  -9.901
  559    H    GLY  73           H        GLY  73   8.312  13.810 -10.423
  560    HA2  GLY  73           HA2      GLY  73   9.544  16.081 -10.329
  561    HA3  GLY  73           HA3      GLY  73  10.969  15.071  -9.975
  562    H    GLY  74           H        GLY  74  10.044  12.870 -11.732
  563    HA2  GLY  74           HA2      GLY  74   9.141  13.259 -14.205
  564    HA3  GLY  74           HA3      GLY  74  10.757  13.959 -14.371
  565    H    LEU  75           H        LEU  75  10.369  11.904 -15.940
  566    HA   LEU  75           HA       LEU  75  11.047   9.308 -14.943
  567    HB2  LEU  75           HB2      LEU  75  10.245   9.738 -17.257
  568    HB3  LEU  75           HB3      LEU  75  11.684  10.701 -17.588
  569    HG   LEU  75           HG       LEU  75  13.118   8.723 -17.446
  570   HD11  LEU  75          HD11      LEU  75  10.559   7.114 -17.028
  571   HD12  LEU  75          HD12      LEU  75  12.169   6.460 -17.306
  572   HD13  LEU  75          HD13      LEU  75  11.831   7.354 -15.812
  573   HD21  LEU  75          HD21      LEU  75  12.107   9.361 -19.600
  574   HD22  LEU  75          HD22      LEU  75  12.322   7.609 -19.486
  575   HD23  LEU  75          HD23      LEU  75  10.708   8.317 -19.268
  576    H    LYS  76           H        LYS  76  12.974  12.203 -15.679
  577    HA   LYS  76           HA       LYS  76  15.585  11.078 -15.447
  578    HB2  LYS  76           HB2      LYS  76  14.673  13.882 -14.644
  579    HB3  LYS  76           HB3      LYS  76  16.313  13.377 -15.016
  580    HG2  LYS  76           HG2      LYS  76  13.991  13.625 -16.967
  581    HG3  LYS  76           HG3      LYS  76  15.414  14.659 -16.836
  582    HD2  LYS  76           HD2      LYS  76  16.808  12.550 -17.366
  583    HD3  LYS  76           HD3      LYS  76  15.287  11.790 -17.856
  584    HE2  LYS  76           HE2      LYS  76  16.466  14.380 -18.970
  585    HE3  LYS  76           HE3      LYS  76  16.568  12.804 -19.754
  586    HZ1  LYS  76           HZ1      LYS  76  13.994  14.198 -19.210
  587    HZ2  LYS  76           HZ2      LYS  76  14.793  14.218 -20.635
  588    HZ3  LYS  76           HZ3      LYS  76  14.181  12.821 -20.058
  589    H    ASP  77           H        ASP  77  13.229  12.207 -12.988
  590    HA   ASP  77           HA       ASP  77  15.198  12.219 -10.846
  591    HB2  ASP  77           HB2      ASP  77  13.262  13.728 -10.769
  592    HB3  ASP  77           HB3      ASP  77  12.157  12.349 -10.758
  593    H    ILE  78           H        ILE  78  12.426  10.069 -11.824
  594    HA   ILE  78           HA       ILE  78  12.623   8.423  -9.571
  595    HB   ILE  78           HB       ILE  78  11.551   7.872 -12.363
  596   HG12  ILE  78          HG12      ILE  78  10.069   8.496  -9.766
  597   HG13  ILE  78          HG13      ILE  78  10.568   9.762 -10.878
  598   HG21  ILE  78          HG21      ILE  78  11.924   5.707 -11.350
  599   HG22  ILE  78          HG22      ILE  78  11.239   6.252  -9.787
  600   HG23  ILE  78          HG23      ILE  78  10.211   6.036 -11.203
  601   HD11  ILE  78          HD11      ILE  78   9.274   8.769 -12.698
  602   HD12  ILE  78          HD12      ILE  78   8.663   7.508 -11.591
  603   HD13  ILE  78          HD13      ILE  78   8.274   9.189 -11.277
  604    H    ALA  79           H        ALA  79  14.029   6.937  -8.893
  605    HA   ALA  79           HA       ALA  79  16.005   5.819 -10.798
  606    HB1  ALA  79           HB1      ALA  79  16.905   7.256  -8.967
  607    HB2  ALA  79           HB2      ALA  79  16.191   6.148  -7.769
  608    HB3  ALA  79           HB3      ALA  79  17.486   5.586  -8.848
  609    H    MET  80           H        MET  80  13.325   4.853 -10.356
  610    HA   MET  80           HA       MET  80  13.552   2.164  -9.173
  611    HB2  MET  80           HB2      MET  80  11.433   3.512 -10.900
  612    HB3  MET  80           HB3      MET  80  11.305   1.854 -10.357
  613    HG2  MET  80           HG2      MET  80  11.529   4.250  -8.499
  614    HG3  MET  80           HG3      MET  80  10.019   3.486  -8.978
  615    HE1  MET  80           HE1      MET  80   9.091   1.278  -8.126
  616    HE2  MET  80           HE2      MET  80  10.445   0.366  -8.829
  617    HE3  MET  80           HE3      MET  80   9.981   0.099  -7.138
  618    HA   PRO  81           HA       PRO  81  14.986   0.105 -12.947
  619    HB2  PRO  81           HB2      PRO  81  12.597  -1.702 -12.519
  620    HB3  PRO  81           HB3      PRO  81  14.292  -2.150 -12.890
  621    HG2  PRO  81           HG2      PRO  81  13.344  -2.373 -10.363
  622    HG3  PRO  81           HG3      PRO  81  14.978  -1.685 -10.646
  623    HD2  PRO  81           HD2      PRO  81  12.387  -0.217 -10.116
  624    HD3  PRO  81           HD3      PRO  81  14.013   0.068  -9.424
  625    H    LYS  82           H        LYS  82  14.305  -0.221 -15.200
  626    HA   LYS  82           HA       LYS  82  11.695   0.948 -15.945
  627    HB2  LYS  82           HB2      LYS  82  14.414   1.821 -17.027
  628    HB3  LYS  82           HB3      LYS  82  12.847   2.329 -17.674
  629    HG2  LYS  82           HG2      LYS  82  12.288   3.498 -15.618
  630    HG3  LYS  82           HG3      LYS  82  13.738   2.871 -14.819
  631    HD2  LYS  82           HD2      LYS  82  15.171   4.098 -16.446
  632    HD3  LYS  82           HD3      LYS  82  13.711   4.779 -17.172
  633    HE2  LYS  82           HE2      LYS  82  14.585   6.416 -15.623
  634    HE3  LYS  82           HE3      LYS  82  13.102   5.758 -14.930
  635    HZ1  LYS  82           HZ1      LYS  82  15.860   5.001 -14.150
  636    HZ2  LYS  82           HZ2      LYS  82  14.824   5.927 -13.283
  637    HZ3  LYS  82           HZ3      LYS  82  14.509   4.324 -13.504
  638    H    VAL  83           H        VAL  83  10.953   0.229 -17.988
  639    HA   VAL  83           HA       VAL  83  12.411  -1.976 -19.316
  640    HB   VAL  83           HB       VAL  83  10.069  -3.095 -19.198
  641   HG11  VAL  83          HG11      VAL  83  11.762  -3.034 -16.665
  642   HG12  VAL  83          HG12      VAL  83  10.641  -4.317 -17.159
  643   HG13  VAL  83          HG13      VAL  83  12.100  -4.009 -18.111
  644   HG21  VAL  83          HG21      VAL  83   8.893  -1.163 -18.111
  645   HG22  VAL  83          HG22      VAL  83   8.682  -2.713 -17.277
  646   HG23  VAL  83          HG23      VAL  83   9.798  -1.499 -16.622
  647    H    LYS  84           H        LYS  84  11.467  -2.460 -21.438
  648    HA   LYS  84           HA       LYS  84  10.579  -0.063 -22.862
  649    HB2  LYS  84           HB2      LYS  84  11.086  -2.968 -23.627
  650    HB3  LYS  84           HB3      LYS  84  10.268  -1.870 -24.726
  651    HG2  LYS  84           HG2      LYS  84  12.632  -2.045 -25.257
  652    HG3  LYS  84           HG3      LYS  84  12.143  -0.397 -24.867
  653    HD2  LYS  84           HD2      LYS  84  13.212  -0.544 -22.666
  654    HD3  LYS  84           HD3      LYS  84  13.539  -2.267 -22.904
  655    HE2  LYS  84           HE2      LYS  84  15.552  -0.920 -23.220
  656    HE3  LYS  84           HE3      LYS  84  15.119  -1.778 -24.701
  657    HZ1  LYS  84           HZ1      LYS  84  15.768   0.625 -24.947
  658    HZ2  LYS  84           HZ2      LYS  84  14.354   0.227 -25.654
  659    HZ3  LYS  84           HZ3      LYS  84  14.340   1.039 -24.236
  660    H    GLY  85           H        GLY  85   8.575   0.175 -23.918
  661    HA2  GLY  85           HA2      GLY  85   6.206  -0.614 -22.539
  662    HA3  GLY  85           HA3      GLY  85   6.292   0.085 -24.165
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1  -2.908   0.116  -0.581
    2    H2   ALA   1           H2       ALA   1  -2.191   1.600  -0.501
    3    H3   ALA   1           H3       ALA   1  -3.263   1.287  -1.699
    4    HA   ALA   1           HA       ALA   1  -0.638   0.029  -1.392
    5    HB1  ALA   1           HB1      ALA   1  -1.077  -1.114  -3.488
    6    HB2  ALA   1           HB2      ALA   1  -2.366  -1.505  -2.351
    7    HB3  ALA   1           HB3      ALA   1  -2.661  -0.326  -3.648
    8    H    GLU   2           H        GLU   2  -0.071   0.446  -4.183
    9    HA   GLU   2           HA       GLU   2  -0.056   3.371  -4.506
   10    HB2  GLU   2           HB2      GLU   2   2.469   1.663  -4.670
   11    HB3  GLU   2           HB3      GLU   2   2.350   3.400  -4.951
   12    HG2  GLU   2           HG2      GLU   2   1.763   3.723  -2.541
   13    HG3  GLU   2           HG3      GLU   2   1.949   1.991  -2.274
   14    H    HIS   3           H        HIS   3   0.247   4.008  -6.650
   15    HA   HIS   3           HA       HIS   3   0.636   1.961  -8.760
   16    HB2  HIS   3           HB2      HIS   3  -1.498   4.146  -8.624
   17    HB3  HIS   3           HB3      HIS   3  -0.979   3.406 -10.133
   18    HD1  HIS   3           HD1      HIS   3  -2.873   2.380  -6.887
   19    HD2  HIS   3           HD2      HIS   3  -1.904   1.029 -10.773
   20    HE1  HIS   3           HE1      HIS   3  -4.283   0.319  -7.309
   21    H    TRP   4           H        TRP   4   1.562   2.927 -10.682
   22    HA   TRP   4           HA       TRP   4   2.890   5.566 -10.317
   23    HB2  TRP   4           HB2      TRP   4   3.984   3.011 -11.565
   24    HB3  TRP   4           HB3      TRP   4   4.670   4.601 -11.828
   25    HD1  TRP   4           HD1      TRP   4   4.300   1.965  -9.076
   26    HE1  TRP   4           HE1      TRP   4   6.157   2.283  -7.358
   27    HE3  TRP   4           HE3      TRP   4   6.214   6.397 -10.788
   28    HZ2  TRP   4           HZ2      TRP   4   8.303   4.179  -6.847
   29    HZ3  TRP   4           HZ3      TRP   4   8.165   7.429  -9.667
   30    HH2  TRP   4           HH2      TRP   4   9.233   6.323  -7.716
   31    H    ILE   5           H        ILE   5   2.510   6.917 -12.060
   32    HA   ILE   5           HA       ILE   5   1.245   5.746 -14.490
   33    HB   ILE   5           HB       ILE   5   0.468   8.408 -13.325
   34   HG12  ILE   5          HG12      ILE   5  -0.142   6.772 -11.552
   35   HG13  ILE   5          HG13      ILE   5  -1.487   7.626 -12.265
   36   HG21  ILE   5          HG21      ILE   5  -0.927   6.521 -15.247
   37   HG22  ILE   5          HG22      ILE   5  -1.527   8.115 -14.723
   38   HG23  ILE   5          HG23      ILE   5  -0.044   7.981 -15.686
   39   HD11  ILE   5          HD11      ILE   5  -1.925   5.205 -11.800
   40   HD12  ILE   5          HD12      ILE   5  -2.241   5.686 -13.470
   41   HD13  ILE   5          HD13      ILE   5  -0.769   4.783 -13.077
   42    H    ASP   6           H        ASP   6   2.184   6.376 -16.290
   43    HA   ASP   6           HA       ASP   6   4.269   8.504 -16.406
   44    HB2  ASP   6           HB2      ASP   6   4.899   6.496 -17.600
   45    HB3  ASP   6           HB3      ASP   6   3.278   6.284 -18.233
   46    H    VAL   7           H        VAL   7   3.234  10.495 -16.552
   47    HA   VAL   7           HA       VAL   7   0.639  10.524 -17.984
   48    HB   VAL   7           HB       VAL   7  -0.007  12.476 -16.756
   49   HG11  VAL   7          HG11      VAL   7  -0.317  11.431 -14.574
   50   HG12  VAL   7          HG12      VAL   7  -0.527  10.250 -15.867
   51   HG13  VAL   7          HG13      VAL   7   0.975  10.263 -14.909
   52   HG21  VAL   7          HG21      VAL   7   2.692  12.264 -15.374
   53   HG22  VAL   7          HG22      VAL   7   1.974  13.666 -16.215
   54   HG23  VAL   7          HG23      VAL   7   1.310  13.104 -14.684
   55    H    ARG   8           H        ARG   8   3.287  10.552 -19.324
   56    HA   ARG   8           HA       ARG   8   2.833  13.080 -20.838
   57    HB2  ARG   8           HB2      ARG   8   5.243  12.305 -19.695
   58    HB3  ARG   8           HB3      ARG   8   5.391  11.651 -21.323
   59    HG2  ARG   8           HG2      ARG   8   4.554  14.020 -22.119
   60    HG3  ARG   8           HG3      ARG   8   4.862  14.522 -20.454
   61    HD2  ARG   8           HD2      ARG   8   7.235  13.680 -20.763
   62    HD3  ARG   8           HD3      ARG   8   6.857  13.428 -22.479
   63    HE   ARG   8           HE       ARG   8   6.266  16.092 -21.344
   64   HH11  ARG   8          HH11      ARG   8   8.587  14.247 -23.330
   65   HH12  ARG   8          HH12      ARG   8   9.323  15.669 -23.967
   66   HH21  ARG   8          HH21      ARG   8   7.144  17.866 -22.185
   67   HH22  ARG   8          HH22      ARG   8   8.477  17.819 -23.304
   68    H    VAL   9           H        VAL   9   3.984  12.539 -23.188
   69    HA   VAL   9           HA       VAL   9   1.970  10.920 -24.438
   70    HB   VAL   9           HB       VAL   9   3.342  11.438 -26.521
   71   HG11  VAL   9          HG11      VAL   9   2.644  13.792 -26.573
   72   HG12  VAL   9          HG12      VAL   9   1.398  12.780 -25.829
   73   HG13  VAL   9          HG13      VAL   9   2.437  13.798 -24.810
   74   HG21  VAL   9          HG21      VAL   9   5.091  13.080 -26.456
   75   HG22  VAL   9          HG22      VAL   9   4.903  13.349 -24.718
   76   HG23  VAL   9          HG23      VAL   9   5.559  11.812 -25.312
   77    HA   PRO  10           HA       PRO  10   3.965   6.931 -24.627
   78    HB2  PRO  10           HB2      PRO  10   3.238   6.997 -27.558
   79    HB3  PRO  10           HB3      PRO  10   3.021   5.670 -26.373
   80    HG2  PRO  10           HG2      PRO  10   0.923   7.240 -27.068
   81    HG3  PRO  10           HG3      PRO  10   1.179   6.786 -25.352
   82    HD2  PRO  10           HD2      PRO  10   1.879   9.382 -26.734
   83    HD3  PRO  10           HD3      PRO  10   1.139   9.105 -25.126
   84    H    GLU  11           H        GLU  11   5.004   9.557 -26.728
   85    HA   GLU  11           HA       GLU  11   7.067   8.342 -28.148
   86    HB2  GLU  11           HB2      GLU  11   6.145  10.657 -28.441
   87    HB3  GLU  11           HB3      GLU  11   7.058  11.168 -27.014
   88    HG2  GLU  11           HG2      GLU  11   9.176  10.574 -28.133
   89    HG3  GLU  11           HG3      GLU  11   8.285   9.952 -29.526
   90    H    GLN  12           H        GLN  12   7.111   9.492 -24.706
   91    HA   GLN  12           HA       GLN  12   9.948   8.748 -24.513
   92    HB2  GLN  12           HB2      GLN  12   9.897   9.117 -22.216
   93    HB3  GLN  12           HB3      GLN  12   9.218  10.507 -23.040
   94    HG2  GLN  12           HG2      GLN  12   7.017  10.067 -22.178
   95    HG3  GLN  12           HG3      GLN  12   7.457   8.437 -21.662
   96   HE21  GLN  12          HE22      GLN  12   6.507   9.283 -19.477
   97   HE22  GLN  12          HE21      GLN  12   7.737   9.903 -18.417
   98    H    TYR  13           H        TYR  13   6.797   7.310 -23.638
   99    HA   TYR  13           HA       TYR  13   7.643   5.156 -22.164
  100    HB2  TYR  13           HB2      TYR  13   5.293   5.985 -22.602
  101    HB3  TYR  13           HB3      TYR  13   5.347   5.184 -24.160
  102    HD1  TYR  13           HD1      TYR  13   5.312   2.702 -24.334
  103    HD2  TYR  13           HD2      TYR  13   4.878   4.750 -20.563
  104    HE1  TYR  13           HE1      TYR  13   4.295   0.675 -23.359
  105    HE2  TYR  13           HE2      TYR  13   3.856   2.726 -19.575
  106    HH   TYR  13           HH       TYR  13   3.329  -0.289 -21.464
  107    H    GLN  14           H        GLN  14   7.434   5.401 -25.696
  108    HA   GLN  14           HA       GLN  14   8.029   2.778 -26.458
  109    HB2  GLN  14           HB2      GLN  14   8.640   5.483 -27.684
  110    HB3  GLN  14           HB3      GLN  14   9.029   3.979 -28.516
  111    HG2  GLN  14           HG2      GLN  14   6.205   4.259 -27.491
  112    HG3  GLN  14           HG3      GLN  14   6.686   5.293 -28.828
  113   HE21  GLN  14          HE22      GLN  14   6.446   1.798 -27.830
  114   HE22  GLN  14          HE21      GLN  14   6.361   1.220 -29.478
  115    H    GLN  15           H        GLN  15  10.411   5.451 -25.820
  116    HA   GLN  15           HA       GLN  15  12.619   3.628 -26.333
  117    HB2  GLN  15           HB2      GLN  15  14.059   5.490 -25.511
  118    HB3  GLN  15           HB3      GLN  15  13.084   5.829 -26.934
  119    HG2  GLN  15           HG2      GLN  15  11.546   7.199 -25.661
  120    HG3  GLN  15           HG3      GLN  15  12.323   6.746 -24.140
  121   HE21  GLN  15          HE22      GLN  15  14.033   7.952 -23.403
  122   HE22  GLN  15          HE21      GLN  15  14.810   9.235 -24.331
  123    H    GLU  16           H        GLU  16  11.190   5.093 -23.323
  124    HA   GLU  16           HA       GLU  16  11.445   2.618 -22.061
  125    HB2  GLU  16           HB2      GLU  16  12.866   3.027 -20.196
  126    HB3  GLU  16           HB3      GLU  16  13.807   3.111 -21.656
  127    HG2  GLU  16           HG2      GLU  16  12.793   5.543 -20.122
  128    HG3  GLU  16           HG3      GLU  16  14.346   4.793 -19.847
  129    H    HIS  17           H        HIS  17  10.311   2.508 -20.082
  130    HA   HIS  17           HA       HIS  17   9.172   5.014 -19.026
  131    HB2  HIS  17           HB2      HIS  17   6.991   3.985 -18.728
  132    HB3  HIS  17           HB3      HIS  17   7.413   4.026 -20.426
  133    HD1  HIS  17           HD1      HIS  17   6.821   1.530 -17.593
  134    HD2  HIS  17           HD2      HIS  17   7.718   1.669 -21.705
  135    HE1  HIS  17           HE1      HIS  17   6.365  -0.810 -18.519
  136    H    VAL  18           H        VAL  18   8.497   4.770 -16.824
  137    HA   VAL  18           HA       VAL  18  10.222   3.253 -15.106
  138    HB   VAL  18           HB       VAL  18   7.664   4.871 -14.840
  139   HG11  VAL  18          HG11      VAL  18   7.933   4.744 -12.348
  140   HG12  VAL  18          HG12      VAL  18   7.462   3.194 -13.052
  141   HG13  VAL  18          HG13      VAL  18   9.144   3.462 -12.569
  142   HG21  VAL  18          HG21      VAL  18   9.804   6.062 -15.242
  143   HG22  VAL  18          HG22      VAL  18   9.113   6.442 -13.669
  144   HG23  VAL  18          HG23      VAL  18  10.490   5.316 -13.787
  145    H    GLN  19           H        GLN  19  10.036   1.197 -14.420
  146    HA   GLN  19           HA       GLN  19   8.581  -0.702 -15.793
  147    HB2  GLN  19           HB2      GLN  19  10.557  -1.194 -14.509
  148    HB3  GLN  19           HB3      GLN  19   9.786  -0.713 -13.002
  149    HG2  GLN  19           HG2      GLN  19   8.291  -2.878 -14.351
  150    HG3  GLN  19           HG3      GLN  19   9.978  -3.297 -14.115
  151   HE21  GLN  19          HE22      GLN  19   7.557  -1.466 -12.041
  152   HE22  GLN  19          HE21      GLN  19   7.811  -2.492 -10.647
  153    H    GLY  20           H        GLY  20   6.464  -1.138 -15.908
  154    HA2  GLY  20           HA2      GLY  20   4.385  -1.768 -15.213
  155    HA3  GLY  20           HA3      GLY  20   4.866  -1.502 -13.534
  156    H    ALA  21           H        ALA  21   5.562   1.424 -15.063
  157    HA   ALA  21           HA       ALA  21   3.276   2.721 -13.918
  158    HB1  ALA  21           HB1      ALA  21   4.129   4.749 -15.022
  159    HB2  ALA  21           HB2      ALA  21   5.432   3.888 -14.183
  160    HB3  ALA  21           HB3      ALA  21   5.284   3.777 -15.957
  161    H    ILE  22           H        ILE  22   1.332   3.293 -14.837
  162    HA   ILE  22           HA       ILE  22   0.636   2.115 -17.439
  163    HB   ILE  22           HB       ILE  22  -1.094   3.909 -15.683
  164   HG12  ILE  22          HG12      ILE  22  -0.825   0.875 -15.465
  165   HG13  ILE  22          HG13      ILE  22  -0.271   2.044 -14.264
  166   HG21  ILE  22          HG21      ILE  22  -2.954   2.787 -16.842
  167   HG22  ILE  22          HG22      ILE  22  -1.848   3.429 -18.044
  168   HG23  ILE  22          HG23      ILE  22  -1.823   1.696 -17.667
  169   HD11  ILE  22          HD11      ILE  22  -2.618   2.834 -13.954
  170   HD12  ILE  22          HD12      ILE  22  -3.161   1.496 -15.000
  171   HD13  ILE  22          HD13      ILE  22  -2.328   1.149 -13.480
  172    H    ASN  23           H        ASN  23   0.627   3.329 -19.398
  173    HA   ASN  23           HA       ASN  23   1.420   6.162 -19.317
  174    HB2  ASN  23           HB2      ASN  23   2.228   4.841 -21.193
  175    HB3  ASN  23           HB3      ASN  23   0.571   4.401 -21.644
  176   HD21  ASN  23          HD22      ASN  23   2.778   7.256 -21.198
  177   HD22  ASN  23          HD21      ASN  23   1.840   8.349 -22.175
  178    H    ILE  24           H        ILE  24  -0.025   7.647 -18.720
  179    HA   ILE  24           HA       ILE  24  -2.734   7.615 -19.901
  180    HB   ILE  24           HB       ILE  24  -2.365   8.182 -16.944
  181   HG12  ILE  24          HG12      ILE  24  -3.416   5.621 -18.213
  182   HG13  ILE  24          HG13      ILE  24  -1.971   5.790 -17.218
  183   HG21  ILE  24          HG21      ILE  24  -4.221   9.307 -18.249
  184   HG22  ILE  24          HG22      ILE  24  -4.839   7.694 -18.631
  185   HG23  ILE  24          HG23      ILE  24  -4.794   8.269 -16.944
  186   HD11  ILE  24          HD11      ILE  24  -4.856   6.038 -16.325
  187   HD12  ILE  24          HD12      ILE  24  -3.629   4.873 -15.804
  188   HD13  ILE  24          HD13      ILE  24  -3.489   6.574 -15.321
  189    HA   PRO  25           HA       PRO  25  -0.107  11.347 -20.499
  190    HB2  PRO  25           HB2      PRO  25  -2.192  11.812 -22.632
  191    HB3  PRO  25           HB3      PRO  25  -0.416  12.051 -22.718
  192    HG2  PRO  25           HG2      PRO  25  -1.542   9.847 -23.818
  193    HG3  PRO  25           HG3      PRO  25  -0.038   9.687 -22.852
  194    HD2  PRO  25           HD2      PRO  25  -2.886   9.176 -21.975
  195    HD3  PRO  25           HD3      PRO  25  -1.431   8.174 -21.706
  196    H    LEU  26           H        LEU  26  -0.339  13.511 -19.960
  197    HA   LEU  26           HA       LEU  26  -2.068  14.420 -18.127
  198    HB2  LEU  26           HB2      LEU  26   0.044  15.489 -18.860
  199    HB3  LEU  26           HB3      LEU  26  -0.732  16.016 -20.352
  200    HG   LEU  26           HG       LEU  26  -2.287  17.463 -18.988
  201   HD11  LEU  26          HD11      LEU  26  -0.414  16.696 -16.706
  202   HD12  LEU  26          HD12      LEU  26  -1.679  17.942 -16.643
  203   HD13  LEU  26          HD13      LEU  26  -2.126  16.240 -16.825
  204   HD21  LEU  26          HD21      LEU  26   0.691  17.963 -18.578
  205   HD22  LEU  26          HD22      LEU  26  -0.249  18.363 -20.039
  206   HD23  LEU  26          HD23      LEU  26  -0.603  19.179 -18.509
  207    H    LYS  27           H        LYS  27  -2.693  14.611 -21.639
  208    HA   LYS  27           HA       LYS  27  -4.991  16.329 -21.444
  209    HB2  LYS  27           HB2      LYS  27  -4.061  14.390 -23.610
  210    HB3  LYS  27           HB3      LYS  27  -5.394  15.517 -23.814
  211    HG2  LYS  27           HG2      LYS  27  -2.516  16.352 -23.224
  212    HG3  LYS  27           HG3      LYS  27  -3.274  16.306 -24.822
  213    HD2  LYS  27           HD2      LYS  27  -5.034  17.917 -23.941
  214    HD3  LYS  27           HD3      LYS  27  -4.049  18.117 -22.488
  215    HE2  LYS  27           HE2      LYS  27  -3.142  18.680 -25.351
  216    HE3  LYS  27           HE3      LYS  27  -3.726  19.898 -24.219
  217    HZ1  LYS  27           HZ1      LYS  27  -1.277  18.275 -23.847
  218    HZ2  LYS  27           HZ2      LYS  27  -1.335  19.848 -24.255
  219    HZ3  LYS  27           HZ3      LYS  27  -1.842  19.387 -22.779
  220    H    GLU  28           H        GLU  28  -4.673  12.984 -20.642
  221    HA   GLU  28           HA       GLU  28  -7.625  12.562 -20.934
  222    HB2  GLU  28           HB2      GLU  28  -5.411  10.491 -21.073
  223    HB3  GLU  28           HB3      GLU  28  -7.144  10.255 -21.366
  224    HG2  GLU  28           HG2      GLU  28  -6.962  11.779 -23.351
  225    HG3  GLU  28           HG3      GLU  28  -5.207  11.815 -23.119
  226    H    VAL  29           H        VAL  29  -4.834  12.407 -18.823
  227    HA   VAL  29           HA       VAL  29  -5.505  10.601 -16.944
  228    HB   VAL  29           HB       VAL  29  -3.471  12.201 -17.178
  229   HG11  VAL  29          HG11      VAL  29  -4.688  14.330 -16.724
  230   HG12  VAL  29          HG12      VAL  29  -4.909  13.801 -15.040
  231   HG13  VAL  29          HG13      VAL  29  -3.281  14.054 -15.691
  232   HG21  VAL  29          HG21      VAL  29  -3.525  10.347 -15.614
  233   HG22  VAL  29          HG22      VAL  29  -2.771  11.759 -14.862
  234   HG23  VAL  29          HG23      VAL  29  -4.439  11.318 -14.440
  235    H    LYS  30           H        LYS  30  -7.066  13.766 -17.228
  236    HA   LYS  30           HA       LYS  30  -8.310  13.908 -14.722
  237    HB2  LYS  30           HB2      LYS  30  -8.172  15.675 -16.551
  238    HB3  LYS  30           HB3      LYS  30  -9.507  14.844 -17.362
  239    HG2  LYS  30           HG2      LYS  30 -10.977  15.264 -15.424
  240    HG3  LYS  30           HG3      LYS  30  -9.613  15.903 -14.498
  241    HD2  LYS  30           HD2      LYS  30 -10.959  17.734 -15.270
  242    HD3  LYS  30           HD3      LYS  30  -9.396  17.779 -16.101
  243    HE2  LYS  30           HE2      LYS  30 -10.432  16.732 -18.107
  244    HE3  LYS  30           HE3      LYS  30 -11.982  16.632 -17.261
  245    HZ1  LYS  30           HZ1      LYS  30 -10.581  19.151 -17.951
  246    HZ2  LYS  30           HZ2      LYS  30 -11.888  18.553 -18.715
  247    HZ3  LYS  30           HZ3      LYS  30 -12.016  19.056 -17.172
  248    H    GLU  31           H        GLU  31  -9.180  11.863 -17.489
  249    HA   GLU  31           HA       GLU  31 -11.705  11.068 -16.070
  250    HB2  GLU  31           HB2      GLU  31 -10.950  10.940 -19.017
  251    HB3  GLU  31           HB3      GLU  31 -12.426  10.268 -18.309
  252    HG2  GLU  31           HG2      GLU  31 -13.064  12.544 -17.505
  253    HG3  GLU  31           HG3      GLU  31 -11.631  13.215 -18.287
  254    H    ARG  32           H        ARG  32  -8.866   9.811 -17.917
  255    HA   ARG  32           HA       ARG  32  -9.578   7.062 -17.617
  256    HB2  ARG  32           HB2      ARG  32  -6.963   8.491 -18.168
  257    HB3  ARG  32           HB3      ARG  32  -7.083   6.723 -18.112
  258    HG2  ARG  32           HG2      ARG  32  -8.782   6.791 -19.943
  259    HG3  ARG  32           HG3      ARG  32  -8.620   8.552 -20.009
  260    HD2  ARG  32           HD2      ARG  32  -7.281   7.584 -21.780
  261    HD3  ARG  32           HD3      ARG  32  -6.210   8.308 -20.565
  262    HE   ARG  32           HE       ARG  32  -6.693   5.489 -20.092
  263   HH11  ARG  32          HH11      ARG  32  -4.813   7.596 -22.276
  264   HH12  ARG  32          HH12      ARG  32  -3.410   6.573 -22.223
  265   HH21  ARG  32          HH21      ARG  32  -4.804   4.153 -20.076
  266   HH22  ARG  32          HH22      ARG  32  -3.334   4.743 -20.775
  267    H    ILE  33           H        ILE  33  -8.124   9.239 -15.261
  268    HA   ILE  33           HA       ILE  33  -6.831   7.339 -13.661
  269    HB   ILE  33           HB       ILE  33  -6.689   9.771 -13.361
  270   HG12  ILE  33          HG12      ILE  33  -6.813   9.823 -10.846
  271   HG13  ILE  33          HG13      ILE  33  -7.530   8.222 -10.895
  272   HG21  ILE  33          HG21      ILE  33  -9.098  10.364 -13.693
  273   HG22  ILE  33          HG22      ILE  33  -9.476   9.648 -12.120
  274   HG23  ILE  33          HG23      ILE  33  -8.433  11.065 -12.226
  275   HD11  ILE  33          HD11      ILE  33  -5.104   8.172 -10.451
  276   HD12  ILE  33          HD12      ILE  33  -5.492   7.312 -11.947
  277   HD13  ILE  33          HD13      ILE  33  -4.791   8.944 -12.019
  278    H    ALA  34           H        ALA  34 -10.344   7.935 -14.044
  279    HA   ALA  34           HA       ALA  34 -11.175   6.768 -11.610
  280    HB1  ALA  34           HB1      ALA  34 -12.627   6.865 -14.295
  281    HB2  ALA  34           HB2      ALA  34 -13.374   6.567 -12.712
  282    HB3  ALA  34           HB3      ALA  34 -12.634   8.143 -13.055
  283    H    THR  35           H        THR  35 -10.580   5.234 -14.819
  284    HA   THR  35           HA       THR  35 -11.313   2.591 -13.860
  285    HB   THR  35           HB       THR  35 -10.090   2.087 -16.184
  286    HG1  THR  35           HG1      THR  35  -9.253   4.210 -16.483
  287   HG21  THR  35          HG21      THR  35 -12.723   3.622 -15.978
  288   HG22  THR  35          HG22      THR  35 -12.201   2.622 -17.355
  289   HG23  THR  35          HG23      THR  35 -12.511   1.867 -15.785
  290    H    ALA  36           H        ALA  36  -8.274   4.462 -14.176
  291    HA   ALA  36           HA       ALA  36  -6.551   2.194 -13.799
  292    HB1  ALA  36           HB1      ALA  36  -6.046   5.166 -13.340
  293    HB2  ALA  36           HB2      ALA  36  -4.809   3.902 -13.480
  294    HB3  ALA  36           HB3      ALA  36  -5.839   4.289 -14.875
  295    H    VAL  37           H        VAL  37  -8.069   4.510 -11.550
  296    HA   VAL  37           HA       VAL  37  -7.014   3.018  -9.211
  297    HB   VAL  37           HB       VAL  37  -7.044   6.014  -9.458
  298   HG11  VAL  37          HG11      VAL  37  -5.731   5.915  -7.367
  299   HG12  VAL  37          HG12      VAL  37  -7.309   5.166  -7.160
  300   HG13  VAL  37          HG13      VAL  37  -5.870   4.143  -7.362
  301   HG21  VAL  37          HG21      VAL  37  -5.248   5.157 -10.922
  302   HG22  VAL  37          HG22      VAL  37  -4.556   5.863  -9.471
  303   HG23  VAL  37          HG23      VAL  37  -4.670   4.097  -9.617
  304    HA   PRO  38           HA       PRO  38 -11.583   3.599  -9.292
  305    HB2  PRO  38           HB2      PRO  38 -12.387   1.116  -8.459
  306    HB3  PRO  38           HB3      PRO  38 -11.848   1.477 -10.128
  307    HG2  PRO  38           HG2      PRO  38 -10.206   0.310  -7.858
  308    HG3  PRO  38           HG3      PRO  38 -10.358  -0.293  -9.543
  309    HD2  PRO  38           HD2      PRO  38  -8.279   1.280  -8.754
  310    HD3  PRO  38           HD3      PRO  38  -9.001   1.437 -10.384
  311    H    ASP  39           H        ASP  39  -9.403   3.377  -6.729
  312    HA   ASP  39           HA       ASP  39 -11.482   4.292  -4.814
  313    HB2  ASP  39           HB2      ASP  39 -10.965   2.099  -3.981
  314    HB3  ASP  39           HB3      ASP  39  -9.234   2.331  -4.252
  315    H    LYS  40           H        LYS  40 -11.071   6.391  -4.844
  316    HA   LYS  40           HA       LYS  40  -8.665   7.489  -5.777
  317    HB2  LYS  40           HB2      LYS  40 -10.682   8.940  -4.036
  318    HB3  LYS  40           HB3      LYS  40  -9.560   9.608  -5.232
  319    HG2  LYS  40           HG2      LYS  40 -10.865   8.363  -7.019
  320    HG3  LYS  40           HG3      LYS  40 -12.084   8.025  -5.780
  321    HD2  LYS  40           HD2      LYS  40 -12.351  10.437  -5.340
  322    HD3  LYS  40           HD3      LYS  40 -11.071  10.817  -6.512
  323    HE2  LYS  40           HE2      LYS  40 -12.411   9.865  -8.336
  324    HE3  LYS  40           HE3      LYS  40 -13.694   9.423  -7.199
  325    HZ1  LYS  40           HZ1      LYS  40 -12.788  12.213  -7.673
  326    HZ2  LYS  40           HZ2      LYS  40 -14.119  11.536  -8.362
  327    HZ3  LYS  40           HZ3      LYS  40 -14.057  11.749  -6.749
  328    H    ASN  41           H        ASN  41  -9.259   6.279  -2.605
  329    HA   ASN  41           HA       ASN  41  -7.511   8.094  -1.169
  330    HB2  ASN  41           HB2      ASN  41  -9.281   6.751  -0.056
  331    HB3  ASN  41           HB3      ASN  41  -8.421   5.272  -0.501
  332   HD21  ASN  41          HD22      ASN  41  -7.284   4.447   1.249
  333   HD22  ASN  41          HD21      ASN  41  -6.486   5.416   2.458
  334    H    ASP  42           H        ASP  42  -6.942   5.422  -3.358
  335    HA   ASP  42           HA       ASP  42  -4.580   4.365  -2.159
  336    HB2  ASP  42           HB2      ASP  42  -6.097   3.306  -3.915
  337    HB3  ASP  42           HB3      ASP  42  -5.302   4.345  -5.107
  338    H    THR  43           H        THR  43  -2.303   4.573  -2.947
  339    HA   THR  43           HA       THR  43  -1.650   7.372  -3.312
  340    HB   THR  43           HB       THR  43   0.342   5.116  -3.466
  341    HG1  THR  43           HG1      THR  43  -0.625   4.459  -1.711
  342   HG21  THR  43          HG21      THR  43   0.465   7.866  -2.171
  343   HG22  THR  43          HG22      THR  43   1.783   6.676  -2.244
  344   HG23  THR  43          HG23      THR  43   1.180   7.417  -3.733
  345    H    VAL  44           H        VAL  44  -0.954   8.398  -5.201
  346    HA   VAL  44           HA       VAL  44  -0.648   6.719  -7.658
  347    HB   VAL  44           HB       VAL  44  -2.179   9.347  -7.542
  348   HG11  VAL  44          HG11      VAL  44  -1.104   8.737  -9.732
  349   HG12  VAL  44          HG12      VAL  44  -2.003   7.205  -9.714
  350   HG13  VAL  44          HG13      VAL  44  -2.864   8.756  -9.814
  351   HG21  VAL  44          HG21      VAL  44  -3.565   7.789  -6.360
  352   HG22  VAL  44          HG22      VAL  44  -4.219   7.957  -7.985
  353   HG23  VAL  44          HG23      VAL  44  -3.267   6.511  -7.557
  354    H    LYS  45           H        LYS  45   1.568   6.824  -7.644
  355    HA   LYS  45           HA       LYS  45   2.937   9.433  -7.507
  356    HB2  LYS  45           HB2      LYS  45   3.852   6.608  -8.203
  357    HB3  LYS  45           HB3      LYS  45   4.898   8.032  -8.300
  358    HG2  LYS  45           HG2      LYS  45   4.602   8.497  -5.915
  359    HG3  LYS  45           HG3      LYS  45   3.457   7.149  -5.754
  360    HD2  LYS  45           HD2      LYS  45   5.199   5.553  -6.412
  361    HD3  LYS  45           HD3      LYS  45   6.374   6.864  -6.589
  362    HE2  LYS  45           HE2      LYS  45   4.914   6.284  -3.979
  363    HE3  LYS  45           HE3      LYS  45   6.412   5.466  -4.425
  364    HZ1  LYS  45           HZ1      LYS  45   7.501   7.632  -4.525
  365    HZ2  LYS  45           HZ2      LYS  45   6.129   8.404  -4.053
  366    HZ3  LYS  45           HZ3      LYS  45   6.871   7.358  -3.049
  367    H    VAL  46           H        VAL  46   3.192  10.722  -9.267
  368    HA   VAL  46           HA       VAL  46   2.693   9.570 -11.975
  369    HB   VAL  46           HB       VAL  46   1.746  11.708 -12.649
  370   HG11  VAL  46          HG11      VAL  46   0.260   9.867 -11.760
  371   HG12  VAL  46          HG12      VAL  46   0.248  10.691 -10.196
  372   HG13  VAL  46          HG13      VAL  46  -0.431  11.488 -11.629
  373   HG21  VAL  46          HG21      VAL  46   1.013  13.421 -11.067
  374   HG22  VAL  46          HG22      VAL  46   1.744  12.544  -9.713
  375   HG23  VAL  46          HG23      VAL  46   2.763  13.254 -10.976
  376    H    TYR  47           H        TYR  47   4.199  10.197 -13.606
  377    HA   TYR  47           HA       TYR  47   6.212  12.180 -12.912
  378    HB2  TYR  47           HB2      TYR  47   8.121  10.877 -13.246
  379    HB3  TYR  47           HB3      TYR  47   7.125   9.814 -12.283
  380    HD1  TYR  47           HD1      TYR  47   5.765   7.971 -13.555
  381    HD2  TYR  47           HD2      TYR  47   8.877  10.327 -15.398
  382    HE1  TYR  47           HE1      TYR  47   5.902   6.345 -15.418
  383    HE2  TYR  47           HE2      TYR  47   8.985   8.721 -17.275
  384    HH   TYR  47           HH       TYR  47   8.082   6.823 -18.230
  385    H    CYS  48           H        CYS  48   7.488  12.745 -14.854
  386    HA   CYS  48           HA       CYS  48   6.362  12.125 -17.496
  387    HB2  CYS  48           HB2      CYS  48   6.120  14.770 -16.054
  388    HB3  CYS  48           HB3      CYS  48   6.520  14.826 -17.785
  389    HG   CYS  48           HG       CYS  48   4.187  12.933 -16.494
  390    H    ASN  49           H        ASN  49   7.878  13.596 -19.102
  391    HA   ASN  49           HA       ASN  49  10.395  12.400 -18.717
  392    HB2  ASN  49           HB2      ASN  49   9.342  13.109 -20.933
  393    HB3  ASN  49           HB3      ASN  49   9.918  14.750 -20.591
  394   HD21  ASN  49          HD22      ASN  49  10.934  11.323 -20.822
  395   HD22  ASN  49          HD21      ASN  49  12.561  11.645 -21.413
  396    H    ALA  50           H        ALA  50   9.389  15.763 -18.074
  397    HA   ALA  50           HA       ALA  50  12.058  16.292 -16.841
  398    HB1  ALA  50           HB1      ALA  50  11.560  17.623 -18.852
  399    HB2  ALA  50           HB2      ALA  50  10.077  18.241 -18.085
  400    HB3  ALA  50           HB3      ALA  50  11.668  18.639 -17.403
  401    H    GLY  51           H        GLY  51   8.614  16.162 -16.136
  402    HA2  GLY  51           HA2      GLY  51   8.080  15.654 -13.868
  403    HA3  GLY  51           HA3      GLY  51   9.273  16.821 -13.309
  404    H    ARG  52           H        ARG  52   8.225  18.863 -15.394
  405    HA   ARG  52           HA       ARG  52   6.360  20.067 -13.607
  406    HB2  ARG  52           HB2      ARG  52   6.252  21.918 -15.106
  407    HB3  ARG  52           HB3      ARG  52   7.899  21.346 -14.955
  408    HG2  ARG  52           HG2      ARG  52   7.897  21.745 -17.162
  409    HG3  ARG  52           HG3      ARG  52   7.371  20.067 -17.231
  410    HD2  ARG  52           HD2      ARG  52   5.008  20.851 -17.496
  411    HD3  ARG  52           HD3      ARG  52   5.552  22.526 -17.339
  412    HE   ARG  52           HE       ARG  52   7.104  21.554 -19.376
  413   HH11  ARG  52          HH11      ARG  52   3.557  21.680 -18.928
  414   HH12  ARG  52          HH12      ARG  52   3.252  21.986 -20.601
  415   HH21  ARG  52          HH21      ARG  52   6.652  21.872 -21.588
  416   HH22  ARG  52          HH22      ARG  52   5.032  22.039 -22.141
  417    H    GLN  53           H        GLN  53   5.817  18.320 -16.686
  418    HA   GLN  53           HA       GLN  53   3.006  18.817 -16.751
  419    HB2  GLN  53           HB2      GLN  53   4.746  16.671 -18.016
  420    HB3  GLN  53           HB3      GLN  53   2.996  16.765 -18.274
  421    HG2  GLN  53           HG2      GLN  53   3.225  19.047 -19.179
  422    HG3  GLN  53           HG3      GLN  53   4.968  19.005 -18.882
  423   HE21  GLN  53          HE22      GLN  53   2.373  17.336 -20.767
  424   HE22  GLN  53          HE21      GLN  53   3.425  16.904 -22.087
  425    H    SER  54           H        SER  54   4.906  16.260 -15.001
  426    HA   SER  54           HA       SER  54   2.464  14.948 -14.161
  427    HB2  SER  54           HB2      SER  54   4.159  13.986 -12.420
  428    HB3  SER  54           HB3      SER  54   4.206  13.511 -14.115
  429    HG   SER  54           HG       SER  54   6.042  14.828 -12.625
  430    H    GLY  55           H        GLY  55   4.468  17.628 -12.950
  431    HA2  GLY  55           HA2      GLY  55   3.175  18.148 -10.501
  432    HA3  GLY  55           HA3      GLY  55   3.867  19.348 -11.621
  433    H    GLN  56           H        GLN  56   2.308  19.241 -13.836
  434    HA   GLN  56           HA       GLN  56  -0.114  20.557 -13.163
  435    HB2  GLN  56           HB2      GLN  56   0.626  19.116 -15.742
  436    HB3  GLN  56           HB3      GLN  56  -0.712  20.242 -15.546
  437    HG2  GLN  56           HG2      GLN  56   0.874  22.069 -15.008
  438    HG3  GLN  56           HG3      GLN  56   2.232  20.951 -15.159
  439   HE21  GLN  56          HE22      GLN  56  -0.562  22.169 -17.131
  440   HE22  GLN  56          HE21      GLN  56   0.330  22.155 -18.629
  441    H    ALA  57           H        ALA  57   0.432  17.135 -14.231
  442    HA   ALA  57           HA       ALA  57  -2.275  16.340 -14.110
  443    HB1  ALA  57           HB1      ALA  57  -1.421  14.050 -13.933
  444    HB2  ALA  57           HB2      ALA  57  -0.443  14.957 -15.104
  445    HB3  ALA  57           HB3      ALA  57   0.174  14.655 -13.459
  446    H    LYS  58           H        LYS  58   0.131  16.690 -11.529
  447    HA   LYS  58           HA       LYS  58  -1.392  15.295  -9.536
  448    HB2  LYS  58           HB2      LYS  58   1.068  15.893  -9.422
  449    HB3  LYS  58           HB3      LYS  58   0.613  17.541  -8.990
  450    HG2  LYS  58           HG2      LYS  58  -0.427  15.154  -7.441
  451    HG3  LYS  58           HG3      LYS  58   1.195  15.759  -7.144
  452    HD2  LYS  58           HD2      LYS  58   0.438  17.825  -6.287
  453    HD3  LYS  58           HD3      LYS  58  -1.182  17.634  -6.960
  454    HE2  LYS  58           HE2      LYS  58  -1.499  15.603  -5.498
  455    HE3  LYS  58           HE3      LYS  58   0.037  15.994  -4.700
  456    HZ1  LYS  58           HZ1      LYS  58  -1.804  16.899  -3.464
  457    HZ2  LYS  58           HZ2      LYS  58  -1.005  18.168  -4.112
  458    HZ3  LYS  58           HZ3      LYS  58  -2.420  17.644  -4.780
  459    H    GLU  59           H        GLU  59  -1.341  18.745 -10.561
  460    HA   GLU  59           HA       GLU  59  -3.249  19.607  -8.610
  461    HB2  GLU  59           HB2      GLU  59  -2.591  20.741 -11.363
  462    HB3  GLU  59           HB3      GLU  59  -3.633  21.518 -10.168
  463    HG2  GLU  59           HG2      GLU  59  -1.747  21.541  -8.541
  464    HG3  GLU  59           HG3      GLU  59  -0.688  20.841  -9.764
  465    H    ILE  60           H        ILE  60  -3.680  18.380 -11.992
  466    HA   ILE  60           HA       ILE  60  -6.493  18.646 -12.119
  467    HB   ILE  60           HB       ILE  60  -4.682  16.512 -13.332
  468   HG12  ILE  60          HG12      ILE  60  -5.914  19.003 -14.595
  469   HG13  ILE  60          HG13      ILE  60  -4.243  18.879 -14.051
  470   HG21  ILE  60          HG21      ILE  60  -7.036  15.686 -13.264
  471   HG22  ILE  60          HG22      ILE  60  -7.557  17.164 -14.099
  472   HG23  ILE  60          HG23      ILE  60  -6.491  15.982 -14.896
  473   HD11  ILE  60          HD11      ILE  60  -3.993  16.887 -15.659
  474   HD12  ILE  60          HD12      ILE  60  -5.534  17.404 -16.367
  475   HD13  ILE  60          HD13      ILE  60  -4.150  18.505 -16.381
  476    H    LEU  61           H        LEU  61  -4.530  15.861 -10.915
  477    HA   LEU  61           HA       LEU  61  -6.884  14.371 -10.241
  478    HB2  LEU  61           HB2      LEU  61  -3.989  14.003  -9.414
  479    HB3  LEU  61           HB3      LEU  61  -5.298  12.855  -9.086
  480    HG   LEU  61           HG       LEU  61  -4.196  13.595 -11.822
  481   HD11  LEU  61          HD11      LEU  61  -4.330  10.965 -10.294
  482   HD12  LEU  61          HD12      LEU  61  -3.647  11.206 -11.919
  483   HD13  LEU  61          HD13      LEU  61  -2.881  11.969 -10.524
  484   HD21  LEU  61          HD21      LEU  61  -6.537  13.413 -12.208
  485   HD22  LEU  61          HD22      LEU  61  -5.847  11.861 -12.661
  486   HD23  LEU  61          HD23      LEU  61  -6.683  12.035 -11.097
  487    H    SER  62           H        SER  62  -4.980  16.718  -8.415
  488    HA   SER  62           HA       SER  62  -6.132  16.125  -5.845
  489    HB2  SER  62           HB2      SER  62  -5.109  18.783  -6.930
  490    HB3  SER  62           HB3      SER  62  -5.396  18.371  -5.231
  491    HG   SER  62           HG       SER  62  -3.529  17.163  -7.015
  492    H    GLU  63           H        GLU  63  -7.125  18.329  -8.564
  493    HA   GLU  63           HA       GLU  63  -9.480  19.285  -7.223
  494    HB2  GLU  63           HB2      GLU  63  -8.720  19.138 -10.170
  495    HB3  GLU  63           HB3      GLU  63 -10.221  19.856  -9.579
  496    HG2  GLU  63           HG2      GLU  63  -8.913  21.427  -8.159
  497    HG3  GLU  63           HG3      GLU  63  -7.417  20.778  -8.821
  498    H    MET  64           H        MET  64  -8.852  16.432  -9.277
  499    HA   MET  64           HA       MET  64 -11.594  15.512  -9.291
  500    HB2  MET  64           HB2      MET  64  -8.949  14.119  -9.814
  501    HB3  MET  64           HB3      MET  64 -10.502  13.324  -9.973
  502    HG2  MET  64           HG2      MET  64  -9.674  15.793 -11.535
  503    HG3  MET  64           HG3      MET  64  -9.577  14.141 -12.127
  504    HE1  MET  64           HE1      MET  64 -13.271  13.063 -12.601
  505    HE2  MET  64           HE2      MET  64 -11.572  12.555 -12.468
  506    HE3  MET  64           HE3      MET  64 -12.518  12.898 -11.004
  507    H    GLY  65           H        GLY  65  -9.421  15.714  -6.676
  508    HA2  GLY  65           HA2      GLY  65 -10.015  15.269  -4.515
  509    HA3  GLY  65           HA3      GLY  65 -11.325  14.216  -5.060
  510    H    TYR  66           H        TYR  66  -8.116  13.529  -6.362
  511    HA   TYR  66           HA       TYR  66  -8.057  10.975  -4.933
  512    HB2  TYR  66           HB2      TYR  66  -6.242  12.258  -6.975
  513    HB3  TYR  66           HB3      TYR  66  -5.859  10.737  -6.158
  514    HD1  TYR  66           HD2      TYR  66  -8.420  12.390  -8.338
  515    HD2  TYR  66           HD1      TYR  66  -6.845   8.674  -6.829
  516    HE1  TYR  66           HE2      TYR  66 -10.011  11.144  -9.773
  517    HE2  TYR  66           HE1      TYR  66  -8.443   7.424  -8.259
  518    HH   TYR  66           HH       TYR  66 -10.871   9.063 -10.333
  519    H    THR  67           H        THR  67  -7.260  10.663  -2.986
  520    HA   THR  67           HA       THR  67  -6.501  12.869  -1.467
  521    HB   THR  67           HB       THR  67  -6.226   9.972  -0.623
  522    HG1  THR  67           HG1      THR  67  -8.684  11.318  -1.112
  523   HG21  THR  67          HG21      THR  67  -7.507  12.403   0.681
  524   HG22  THR  67          HG22      THR  67  -7.395  10.772   1.393
  525   HG23  THR  67          HG23      THR  67  -5.919  11.712   1.094
  526    H    HIS  68           H        HIS  68  -4.464  10.363  -2.974
  527    HA   HIS  68           HA       HIS  68  -2.072  11.460  -1.565
  528    HB2  HIS  68           HB2      HIS  68  -2.869   8.540  -1.848
  529    HB3  HIS  68           HB3      HIS  68  -1.330   9.122  -1.207
  530    HD1  HIS  68           HD1      HIS  68  -4.506   7.940   0.075
  531    HD2  HIS  68           HD2      HIS  68  -1.792  11.025   1.014
  532    HE1  HIS  68           HE1      HIS  68  -4.993   8.622   2.484
  533    H    VAL  69           H        VAL  69  -2.705  12.313  -4.079
  534    HA   VAL  69           HA       VAL  69  -1.116  10.812  -6.021
  535    HB   VAL  69           HB       VAL  69  -1.924  13.727  -6.225
  536   HG11  VAL  69          HG11      VAL  69  -0.364  12.839  -7.973
  537   HG12  VAL  69          HG12      VAL  69  -1.528  11.560  -8.348
  538   HG13  VAL  69          HG13      VAL  69  -1.935  13.259  -8.650
  539   HG21  VAL  69          HG21      VAL  69  -3.982  13.131  -7.296
  540   HG22  VAL  69          HG22      VAL  69  -3.669  11.387  -7.073
  541   HG23  VAL  69          HG23      VAL  69  -3.995  12.465  -5.691
  542    H    GLU  70           H        GLU  70   1.053  11.415  -6.636
  543    HA   GLU  70           HA       GLU  70   2.385  13.604  -5.144
  544    HB2  GLU  70           HB2      GLU  70   2.685  11.584  -3.768
  545    HB3  GLU  70           HB3      GLU  70   3.272  10.680  -5.169
  546    HG2  GLU  70           HG2      GLU  70   5.236  12.166  -5.333
  547    HG3  GLU  70           HG3      GLU  70   4.610  13.167  -4.017
  548    H    ASN  71           H        ASN  71   3.527  14.775  -6.656
  549    HA   ASN  71           HA       ASN  71   4.150  13.600  -9.289
  550    HB2  ASN  71           HB2      ASN  71   3.635  15.992  -9.254
  551    HB3  ASN  71           HB3      ASN  71   4.930  16.277  -8.077
  552   HD21  ASN  71          HD22      ASN  71   5.914  17.763  -9.713
  553   HD22  ASN  71          HD21      ASN  71   6.642  17.105 -11.166
  554    H    ALA  72           H        ALA  72   5.650  12.089  -9.262
  555    HA   ALA  72           HA       ALA  72   7.609  11.765  -7.189
  556    HB1  ALA  72           HB1      ALA  72   7.338  10.537  -9.961
  557    HB2  ALA  72           HB2      ALA  72   8.376   9.926  -8.644
  558    HB3  ALA  72           HB3      ALA  72   6.609   9.907  -8.467
  559    H    GLY  73           H        GLY  73   7.620  13.437 -10.346
  560    HA2  GLY  73           HA2      GLY  73   9.387  15.247 -10.406
  561    HA3  GLY  73           HA3      GLY  73  10.554  13.954 -10.091
  562    H    GLY  74           H        GLY  74  11.544  14.606 -12.113
  563    HA2  GLY  74           HA2      GLY  74  10.133  13.950 -14.610
  564    HA3  GLY  74           HA3      GLY  74  11.765  14.601 -14.455
  565    H    LEU  75           H        LEU  75  11.006  12.324 -16.057
  566    HA   LEU  75           HA       LEU  75  11.636   9.830 -14.993
  567    HB2  LEU  75           HB2      LEU  75  10.713  10.226 -17.244
  568    HB3  LEU  75           HB3      LEU  75  12.207  11.004 -17.750
  569    HG   LEU  75           HG       LEU  75  13.436   8.897 -17.623
  570   HD11  LEU  75          HD11      LEU  75  12.210   7.738 -15.788
  571   HD12  LEU  75          HD12      LEU  75  10.803   7.564 -16.843
  572   HD13  LEU  75          HD13      LEU  75  12.306   6.742 -17.250
  573   HD21  LEU  75          HD21      LEU  75  12.346   7.754 -19.492
  574   HD22  LEU  75          HD22      LEU  75  10.828   8.611 -19.167
  575   HD23  LEU  75          HD23      LEU  75  12.267   9.504 -19.700
  576    H    LYS  76           H        LYS  76  13.830  12.471 -15.755
  577    HA   LYS  76           HA       LYS  76  16.284  10.949 -15.654
  578    HB2  LYS  76           HB2      LYS  76  15.830  13.904 -15.046
  579    HB3  LYS  76           HB3      LYS  76  17.361  13.142 -15.458
  580    HG2  LYS  76           HG2      LYS  76  14.970  13.525 -17.309
  581    HG3  LYS  76           HG3      LYS  76  16.503  14.392 -17.341
  582    HD2  LYS  76           HD2      LYS  76  17.682  12.232 -17.888
  583    HD3  LYS  76           HD3      LYS  76  16.113  11.420 -17.910
  584    HE2  LYS  76           HE2      LYS  76  16.668  11.876 -20.174
  585    HE3  LYS  76           HE3      LYS  76  15.349  12.959 -19.725
  586    HZ1  LYS  76           HZ1      LYS  76  18.215  13.717 -19.875
  587    HZ2  LYS  76           HZ2      LYS  76  17.079  14.098 -20.975
  588    HZ3  LYS  76           HZ3      LYS  76  16.997  14.737 -19.480
  589    H    ASP  77           H        ASP  77  14.034  11.665 -13.181
  590    HA   ASP  77           HA       ASP  77  16.125  11.622 -11.061
  591    HB2  ASP  77           HB2      ASP  77  15.032  13.807 -11.317
  592    HB3  ASP  77           HB3      ASP  77  13.451  13.054 -11.086
  593    H    ILE  78           H        ILE  78  12.772  10.384 -11.957
  594    HA   ILE  78           HA       ILE  78  12.522   8.777  -9.626
  595    HB   ILE  78           HB       ILE  78  11.551   8.366 -12.489
  596   HG12  ILE  78          HG12      ILE  78   9.298   8.629 -11.350
  597   HG13  ILE  78          HG13      ILE  78  10.147   9.063  -9.863
  598   HG21  ILE  78          HG21      ILE  78  11.779   6.124 -11.628
  599   HG22  ILE  78          HG22      ILE  78  11.045   6.583 -10.060
  600   HG23  ILE  78          HG23      ILE  78  10.077   6.542 -11.537
  601   HD11  ILE  78          HD11      ILE  78   9.248  10.984 -11.177
  602   HD12  ILE  78          HD12      ILE  78  10.987  11.106 -10.943
  603   HD13  ILE  78          HD13      ILE  78  10.322  10.543 -12.512
  604    H    ALA  79           H        ALA  79  13.498   6.892  -8.970
  605    HA   ALA  79           HA       ALA  79  15.692   5.832 -10.668
  606    HB1  ALA  79           HB1      ALA  79  15.558   6.042  -7.627
  607    HB2  ALA  79           HB2      ALA  79  16.938   5.462  -8.584
  608    HB3  ALA  79           HB3      ALA  79  16.442   7.159  -8.696
  609    H    MET  80           H        MET  80  12.962   4.961 -10.607
  610    HA   MET  80           HA       MET  80  12.863   2.229  -9.516
  611    HB2  MET  80           HB2      MET  80  11.221   3.838 -11.523
  612    HB3  MET  80           HB3      MET  80  10.939   2.125 -11.292
  613    HG2  MET  80           HG2      MET  80  10.846   4.123  -9.008
  614    HG3  MET  80           HG3      MET  80   9.440   3.694  -9.976
  615    HE1  MET  80           HE1      MET  80   8.051   1.601  -9.807
  616    HE2  MET  80           HE2      MET  80   9.393   0.639 -10.467
  617    HE3  MET  80           HE3      MET  80   8.550   0.098  -9.003
  618    HA   PRO  81           HA       PRO  81  14.937   0.451 -13.146
  619    HB2  PRO  81           HB2      PRO  81  13.467  -1.853 -13.590
  620    HB3  PRO  81           HB3      PRO  81  14.721  -1.681 -12.326
  621    HG2  PRO  81           HG2      PRO  81  11.727  -1.452 -12.029
  622    HG3  PRO  81           HG3      PRO  81  12.889  -2.283 -10.957
  623    HD2  PRO  81           HD2      PRO  81  11.906   0.212 -10.424
  624    HD3  PRO  81           HD3      PRO  81  13.570  -0.259  -9.976
  625    H    LYS  82           H        LYS  82  14.482   0.178 -15.465
  626    HA   LYS  82           HA       LYS  82  11.918   1.366 -16.380
  627    HB2  LYS  82           HB2      LYS  82  14.734   2.392 -16.953
  628    HB3  LYS  82           HB3      LYS  82  13.305   2.900 -17.857
  629    HG2  LYS  82           HG2      LYS  82  12.339   4.004 -15.979
  630    HG3  LYS  82           HG3      LYS  82  13.441   3.222 -14.849
  631    HD2  LYS  82           HD2      LYS  82  15.360   4.450 -15.940
  632    HD3  LYS  82           HD3      LYS  82  14.154   5.408 -16.829
  633    HE2  LYS  82           HE2      LYS  82  13.112   6.049 -14.622
  634    HE3  LYS  82           HE3      LYS  82  14.290   5.034 -13.788
  635    HZ1  LYS  82           HZ1      LYS  82  16.037   6.545 -14.715
  636    HZ2  LYS  82           HZ2      LYS  82  14.836   7.582 -15.186
  637    HZ3  LYS  82           HZ3      LYS  82  15.024   7.224 -13.620
  638    H    VAL  83           H        VAL  83  11.344   0.724 -18.477
  639    HA   VAL  83           HA       VAL  83  13.075  -1.189 -19.924
  640    HB   VAL  83           HB       VAL  83  10.873  -2.533 -20.073
  641   HG11  VAL  83          HG11      VAL  83  12.346  -2.552 -17.407
  642   HG12  VAL  83          HG12      VAL  83  11.418  -3.887 -18.116
  643   HG13  VAL  83          HG13      VAL  83  12.905  -3.336 -18.900
  644   HG21  VAL  83          HG21      VAL  83   9.394  -0.866 -18.940
  645   HG22  VAL  83          HG22      VAL  83   9.324  -2.487 -18.231
  646   HG23  VAL  83          HG23      VAL  83  10.234  -1.205 -17.411
  647    H    LYS  84           H        LYS  84  12.450  -1.401 -22.161
  648    HA   LYS  84           HA       LYS  84  11.276   0.963 -23.347
  649    HB2  LYS  84           HB2      LYS  84  11.598  -0.128 -25.452
  650    HB3  LYS  84           HB3      LYS  84  13.043  -0.314 -24.465
  651    HG2  LYS  84           HG2      LYS  84  12.312  -2.648 -23.881
  652    HG3  LYS  84           HG3      LYS  84  10.915  -2.460 -24.946
  653    HD2  LYS  84           HD2      LYS  84  13.834  -2.296 -25.815
  654    HD3  LYS  84           HD3      LYS  84  12.786  -3.712 -25.984
  655    HE2  LYS  84           HE2      LYS  84  11.237  -2.389 -27.426
  656    HE3  LYS  84           HE3      LYS  84  12.319  -0.996 -27.300
  657    HZ1  LYS  84           HZ1      LYS  84  12.709  -2.232 -29.329
  658    HZ2  LYS  84           HZ2      LYS  84  14.038  -2.316 -28.392
  659    HZ3  LYS  84           HZ3      LYS  84  13.035  -3.602 -28.513
  660    H    GLY  85           H        GLY  85   9.407   0.906 -24.840
  661    HA2  GLY  85           HA2      GLY  85   7.298  -1.081 -24.219
  662    HA3  GLY  85           HA3      GLY  85   6.994   0.624 -23.842
  Start of MODEL   21
    1    H1   ALA   1           H1       ALA   1  -2.659   0.461  -0.397
    2    H2   ALA   1           H2       ALA   1  -1.634   1.751  -0.295
    3    H3   ALA   1           H3       ALA   1  -2.839   1.769  -1.400
    4    HA   ALA   1           HA       ALA   1  -0.526  -0.025  -1.425
    5    HB1  ALA   1           HB1      ALA   1  -2.773   0.212  -3.477
    6    HB2  ALA   1           HB2      ALA   1  -1.376  -0.885  -3.539
    7    HB3  ALA   1           HB3      ALA   1  -2.608  -1.103  -2.294
    8    H    GLU   2           H        GLU   2  -0.096   0.470  -4.217
    9    HA   GLU   2           HA       GLU   2   0.261   3.350  -4.546
   10    HB2  GLU   2           HB2      GLU   2   2.566   1.352  -4.722
   11    HB3  GLU   2           HB3      GLU   2   2.615   3.009  -5.331
   12    HG2  GLU   2           HG2      GLU   2   2.358   3.901  -3.062
   13    HG3  GLU   2           HG3      GLU   2   2.240   2.264  -2.404
   14    H    HIS   3           H        HIS   3   0.439   3.876  -6.761
   15    HA   HIS   3           HA       HIS   3   0.386   1.759  -8.808
   16    HB2  HIS   3           HB2      HIS   3  -1.742   3.900  -8.361
   17    HB3  HIS   3           HB3      HIS   3  -1.432   3.222  -9.953
   18    HD1  HIS   3           HD1      HIS   3  -3.058   2.198  -6.607
   19    HD2  HIS   3           HD2      HIS   3  -2.126   0.681 -10.443
   20    HE1  HIS   3           HE1      HIS   3  -4.362   0.049  -6.870
   21    H    TRP   4           H        TRP   4   0.904   2.731 -10.941
   22    HA   TRP   4           HA       TRP   4   2.428   5.283 -10.782
   23    HB2  TRP   4           HB2      TRP   4   3.273   2.569 -11.845
   24    HB3  TRP   4           HB3      TRP   4   3.958   4.054 -12.468
   25    HD1  TRP   4           HD1      TRP   4   4.070   1.846  -9.374
   26    HE1  TRP   4           HE1      TRP   4   6.025   2.554  -7.895
   27    HE3  TRP   4           HE3      TRP   4   5.360   6.157 -11.797
   28    HZ2  TRP   4           HZ2      TRP   4   7.970   4.722  -7.810
   29    HZ3  TRP   4           HZ3      TRP   4   7.283   7.514 -11.020
   30    HH2  TRP   4           HH2      TRP   4   8.604   6.795  -9.034
   31    H    ILE   5           H        ILE   5   2.261   6.521 -12.680
   32    HA   ILE   5           HA       ILE   5   0.943   5.359 -15.052
   33    HB   ILE   5           HB       ILE   5  -0.096   7.819 -13.584
   34   HG12  ILE   5          HG12      ILE   5  -1.346   5.069 -14.000
   35   HG13  ILE   5          HG13      ILE   5  -0.853   5.795 -12.460
   36   HG21  ILE   5          HG21      ILE   5  -1.761   8.002 -15.351
   37   HG22  ILE   5          HG22      ILE   5  -0.168   8.024 -16.074
   38   HG23  ILE   5          HG23      ILE   5  -1.129   6.537 -16.148
   39   HD11  ILE   5          HD11      ILE   5  -3.174   5.892 -12.562
   40   HD12  ILE   5          HD12      ILE   5  -2.562   7.553 -12.760
   41   HD13  ILE   5          HD13      ILE   5  -3.176   6.636 -14.168
   42    H    ASP   6           H        ASP   6   1.711   6.284 -16.896
   43    HA   ASP   6           HA       ASP   6   3.864   8.355 -16.770
   44    HB2  ASP   6           HB2      ASP   6   4.583   6.487 -18.080
   45    HB3  ASP   6           HB3      ASP   6   2.975   6.246 -18.757
   46    H    VAL   7           H        VAL   7   3.154  10.380 -17.290
   47    HA   VAL   7           HA       VAL   7   0.482  10.614 -18.576
   48    HB   VAL   7           HB       VAL   7  -0.017  12.541 -17.211
   49   HG11  VAL   7          HG11      VAL   7  -0.664  10.291 -16.425
   50   HG12  VAL   7          HG12      VAL   7   0.834  10.190 -15.470
   51   HG13  VAL   7          HG13      VAL   7  -0.387  11.418 -15.095
   52   HG21  VAL   7          HG21      VAL   7   2.705  12.035 -15.918
   53   HG22  VAL   7          HG22      VAL   7   2.084  13.536 -16.655
   54   HG23  VAL   7          HG23      VAL   7   1.409  12.944 -15.138
   55    H    ARG   8           H        ARG   8   3.225  10.611 -19.849
   56    HA   ARG   8           HA       ARG   8   2.894  13.224 -21.268
   57    HB2  ARG   8           HB2      ARG   8   5.245  12.300 -20.215
   58    HB3  ARG   8           HB3      ARG   8   5.300  11.524 -21.788
   59    HG2  ARG   8           HG2      ARG   8   4.800  13.876 -22.787
   60    HG3  ARG   8           HG3      ARG   8   5.041  14.495 -21.159
   61    HD2  ARG   8           HD2      ARG   8   7.242  14.595 -21.524
   62    HD3  ARG   8           HD3      ARG   8   7.293  12.842 -21.682
   63    HE   ARG   8           HE       ARG   8   7.595  13.028 -23.927
   64   HH11  ARG   8          HH11      ARG   8   6.356  16.167 -22.807
   65   HH12  ARG   8          HH12      ARG   8   6.712  16.982 -24.282
   66   HH21  ARG   8          HH21      ARG   8   8.088  14.124 -25.900
   67   HH22  ARG   8          HH22      ARG   8   7.685  15.797 -26.063
   68    H    VAL   9           H        VAL   9   4.040  12.514 -23.672
   69    HA   VAL   9           HA       VAL   9   1.986  10.928 -24.964
   70    HB   VAL   9           HB       VAL   9   3.630  11.230 -26.945
   71   HG11  VAL   9          HG11      VAL   9   1.597  12.575 -26.665
   72   HG12  VAL   9          HG12      VAL   9   2.454  13.694 -25.583
   73   HG13  VAL   9          HG13      VAL   9   2.924  13.564 -27.292
   74   HG21  VAL   9          HG21      VAL   9   4.874  13.413 -25.236
   75   HG22  VAL   9          HG22      VAL   9   5.610  11.803 -25.341
   76   HG23  VAL   9          HG23      VAL   9   5.396  12.790 -26.805
   77    HA   PRO  10           HA       PRO  10   3.831   6.859 -24.790
   78    HB2  PRO  10           HB2      PRO  10   3.556   6.838 -27.798
   79    HB3  PRO  10           HB3      PRO  10   3.107   5.567 -26.618
   80    HG2  PRO  10           HG2      PRO  10   1.211   7.191 -27.678
   81    HG3  PRO  10           HG3      PRO  10   1.179   6.783 -25.933
   82    HD2  PRO  10           HD2      PRO  10   2.173   9.308 -27.259
   83    HD3  PRO  10           HD3      PRO  10   1.208   9.108 -25.764
   84    H    GLU  11           H        GLU  11   5.297   9.339 -26.782
   85    HA   GLU  11           HA       GLU  11   7.514   8.153 -27.905
   86    HB2  GLU  11           HB2      GLU  11   6.812  10.520 -28.148
   87    HB3  GLU  11           HB3      GLU  11   7.226  10.812 -26.458
   88    HG2  GLU  11           HG2      GLU  11   9.629  10.328 -26.989
   89    HG3  GLU  11           HG3      GLU  11   9.175  10.170 -28.691
   90    H    GLN  12           H        GLN  12   7.120   9.115 -24.429
   91    HA   GLN  12           HA       GLN  12   9.849   8.184 -23.856
   92    HB2  GLN  12           HB2      GLN  12   9.361   8.506 -21.518
   93    HB3  GLN  12           HB3      GLN  12   9.120   9.958 -22.474
   94    HG2  GLN  12           HG2      GLN  12   6.731   9.824 -22.262
   95    HG3  GLN  12           HG3      GLN  12   6.802   8.201 -21.565
   96   HE21  GLN  12          HE22      GLN  12   7.208   7.937 -19.337
   97   HE22  GLN  12          HE21      GLN  12   7.404   9.278 -18.253
   98    H    TYR  13           H        TYR  13   6.503   6.943 -23.435
   99    HA   TYR  13           HA       TYR  13   7.061   4.723 -21.903
  100    HB2  TYR  13           HB2      TYR  13   4.813   5.719 -22.661
  101    HB3  TYR  13           HB3      TYR  13   4.986   4.771 -24.121
  102    HD1  TYR  13           HD1      TYR  13   4.572   4.625 -20.430
  103    HD2  TYR  13           HD2      TYR  13   4.558   2.371 -24.111
  104    HE1  TYR  13           HE1      TYR  13   3.528   2.711 -19.250
  105    HE2  TYR  13           HE2      TYR  13   3.492   0.467 -22.949
  106    HH   TYR  13           HH       TYR  13   2.634  -0.337 -20.939
  107    H    GLN  14           H        GLN  14   7.276   5.038 -25.422
  108    HA   GLN  14           HA       GLN  14   7.784   2.348 -26.122
  109    HB2  GLN  14           HB2      GLN  14   8.602   5.024 -27.323
  110    HB3  GLN  14           HB3      GLN  14   8.960   3.477 -28.112
  111    HG2  GLN  14           HG2      GLN  14   6.601   2.930 -28.291
  112    HG3  GLN  14           HG3      GLN  14   6.142   4.336 -27.340
  113   HE21  GLN  14          HE22      GLN  14   4.733   4.523 -29.392
  114   HE22  GLN  14          HE21      GLN  14   5.390   5.502 -30.679
  115    H    GLN  15           H        GLN  15  10.107   4.982 -25.235
  116    HA   GLN  15           HA       GLN  15  12.328   3.154 -25.757
  117    HB2  GLN  15           HB2      GLN  15  13.774   5.076 -25.377
  118    HB3  GLN  15           HB3      GLN  15  12.519   5.386 -26.573
  119    HG2  GLN  15           HG2      GLN  15  11.206   6.579 -24.771
  120    HG3  GLN  15           HG3      GLN  15  12.612   6.440 -23.717
  121   HE21  GLN  15          HE22      GLN  15  11.078   8.216 -26.252
  122   HE22  GLN  15          HE21      GLN  15  12.391   9.334 -26.590
  123    H    GLU  16           H        GLU  16  10.834   4.650 -22.827
  124    HA   GLU  16           HA       GLU  16  11.478   2.363 -21.340
  125    HB2  GLU  16           HB2      GLU  16  12.915   3.325 -19.566
  126    HB3  GLU  16           HB3      GLU  16  13.746   3.143 -21.089
  127    HG2  GLU  16           HG2      GLU  16  13.369   5.622 -21.530
  128    HG3  GLU  16           HG3      GLU  16  12.673   5.732 -19.912
  129    H    HIS  17           H        HIS  17  10.078   2.235 -19.614
  130    HA   HIS  17           HA       HIS  17   8.864   4.704 -18.515
  131    HB2  HIS  17           HB2      HIS  17   6.688   3.485 -18.366
  132    HB3  HIS  17           HB3      HIS  17   7.156   3.934 -19.986
  133    HD1  HIS  17           HD1      HIS  17   7.413   1.904 -21.735
  134    HD2  HIS  17           HD2      HIS  17   6.660   0.854 -17.723
  135    HE1  HIS  17           HE1      HIS  17   6.725  -0.547 -21.741
  136    H    VAL  18           H        VAL  18   8.382   4.510 -16.325
  137    HA   VAL  18           HA       VAL  18   9.989   2.727 -14.732
  138    HB   VAL  18           HB       VAL  18   7.630   4.561 -14.105
  139   HG11  VAL  18          HG11      VAL  18   8.457   4.459 -11.739
  140   HG12  VAL  18          HG12      VAL  18   7.848   2.901 -12.294
  141   HG13  VAL  18          HG13      VAL  18   9.603   3.185 -12.205
  142   HG21  VAL  18          HG21      VAL  18   9.639   5.750 -14.982
  143   HG22  VAL  18          HG22      VAL  18   9.331   6.125 -13.294
  144   HG23  VAL  18          HG23      VAL  18  10.631   4.985 -13.727
  145    H    GLN  19           H        GLN  19   9.460   0.710 -13.903
  146    HA   GLN  19           HA       GLN  19   7.476  -0.785 -15.235
  147    HB2  GLN  19           HB2      GLN  19   7.957  -2.577 -13.644
  148    HB3  GLN  19           HB3      GLN  19   9.407  -1.809 -14.257
  149    HG2  GLN  19           HG2      GLN  19  10.071  -1.953 -12.173
  150    HG3  GLN  19           HG3      GLN  19   9.265  -0.405 -11.988
  151   HE21  GLN  19          HE22      GLN  19   7.002  -0.479 -10.989
  152   HE22  GLN  19          HE21      GLN  19   6.656  -1.773  -9.859
  153    H    GLY  20           H        GLY  20   5.406  -1.472 -14.715
  154    HA2  GLY  20           HA2      GLY  20   3.428  -1.621 -13.522
  155    HA3  GLY  20           HA3      GLY  20   4.103  -0.614 -12.236
  156    H    ALA  21           H        ALA  21   4.916   1.388 -14.595
  157    HA   ALA  21           HA       ALA  21   2.525   3.035 -14.481
  158    HB1  ALA  21           HB1      ALA  21   3.766   4.536 -15.918
  159    HB2  ALA  21           HB2      ALA  21   4.903   3.892 -14.710
  160    HB3  ALA  21           HB3      ALA  21   4.900   3.246 -16.370
  161    H    ILE  22           H        ILE  22   1.484   3.829 -16.365
  162    HA   ILE  22           HA       ILE  22   1.164   2.118 -18.720
  163    HB   ILE  22           HB       ILE  22  -1.364   2.344 -18.333
  164   HG12  ILE  22          HG12      ILE  22  -0.532   2.764 -15.408
  165   HG13  ILE  22          HG13      ILE  22  -1.325   3.955 -16.442
  166   HG21  ILE  22          HG21      ILE  22  -1.497   0.221 -17.202
  167   HG22  ILE  22          HG22      ILE  22  -0.019   0.221 -18.161
  168   HG23  ILE  22          HG23      ILE  22   0.069   0.474 -16.405
  169   HD11  ILE  22          HD11      ILE  22  -2.987   2.997 -15.029
  170   HD12  ILE  22          HD12      ILE  22  -3.278   2.353 -16.659
  171   HD13  ILE  22          HD13      ILE  22  -2.496   1.345 -15.419
  172    H    ASN  23           H        ASN  23   0.649   3.458 -20.497
  173    HA   ASN  23           HA       ASN  23   1.206   6.287 -20.075
  174    HB2  ASN  23           HB2      ASN  23   2.126   5.155 -22.038
  175    HB3  ASN  23           HB3      ASN  23   0.495   4.751 -22.606
  176   HD21  ASN  23          HD22      ASN  23   2.680   7.510 -21.804
  177   HD22  ASN  23          HD21      ASN  23   1.767   8.723 -22.668
  178    H    ILE  24           H        ILE  24  -0.310   7.637 -19.374
  179    HA   ILE  24           HA       ILE  24  -2.963   7.707 -20.691
  180    HB   ILE  24           HB       ILE  24  -2.645   7.882 -17.672
  181   HG12  ILE  24          HG12      ILE  24  -3.848   5.628 -19.339
  182   HG13  ILE  24          HG13      ILE  24  -2.381   5.531 -18.358
  183   HG21  ILE  24          HG21      ILE  24  -5.043   8.130 -17.641
  184   HG22  ILE  24          HG22      ILE  24  -4.436   9.296 -18.808
  185   HG23  ILE  24          HG23      ILE  24  -5.161   7.789 -19.391
  186   HD11  ILE  24          HD11      ILE  24  -3.721   5.952 -16.312
  187   HD12  ILE  24          HD12      ILE  24  -5.203   5.888 -17.297
  188   HD13  ILE  24          HD13      ILE  24  -4.168   4.468 -17.174
  189    HA   PRO  25           HA       PRO  25  -0.268  11.397 -20.882
  190    HB2  PRO  25           HB2      PRO  25  -2.346  12.192 -22.925
  191    HB3  PRO  25           HB3      PRO  25  -0.563  12.368 -23.002
  192    HG2  PRO  25           HG2      PRO  25  -1.767  10.336 -24.318
  193    HG3  PRO  25           HG3      PRO  25  -0.280  10.014 -23.365
  194    HD2  PRO  25           HD2      PRO  25  -3.156   9.529 -22.560
  195    HD3  PRO  25           HD3      PRO  25  -1.741   8.453 -22.393
  196    H    LEU  26           H        LEU  26  -0.367  13.589 -20.304
  197    HA   LEU  26           HA       LEU  26  -1.876  14.480 -18.287
  198    HB2  LEU  26           HB2      LEU  26   0.172  15.531 -19.119
  199    HB3  LEU  26           HB3      LEU  26  -0.653  16.067 -20.581
  200    HG   LEU  26           HG       LEU  26  -2.084  17.595 -19.212
  201   HD11  LEU  26          HD11      LEU  26  -0.241  16.764 -16.933
  202   HD12  LEU  26          HD12      LEU  26  -1.457  18.058 -16.875
  203   HD13  LEU  26          HD13      LEU  26  -1.973  16.375 -17.043
  204   HD21  LEU  26          HD21      LEU  26   0.915  17.955 -18.805
  205   HD22  LEU  26          HD22      LEU  26   0.000  18.403 -20.261
  206   HD23  LEU  26          HD23      LEU  26  -0.319  19.232 -18.731
  207    H    LYS  27           H        LYS  27  -2.797  14.950 -21.727
  208    HA   LYS  27           HA       LYS  27  -5.039  16.667 -21.095
  209    HB2  LYS  27           HB2      LYS  27  -4.431  15.089 -23.637
  210    HB3  LYS  27           HB3      LYS  27  -5.593  16.399 -23.497
  211    HG2  LYS  27           HG2      LYS  27  -2.564  16.608 -23.247
  212    HG3  LYS  27           HG3      LYS  27  -3.555  17.185 -24.572
  213    HD2  LYS  27           HD2      LYS  27  -3.511  18.276 -21.725
  214    HD3  LYS  27           HD3      LYS  27  -2.812  19.038 -23.140
  215    HE2  LYS  27           HE2      LYS  27  -5.797  18.514 -22.736
  216    HE3  LYS  27           HE3      LYS  27  -4.981  20.041 -22.407
  217    HZ1  LYS  27           HZ1      LYS  27  -5.179  18.780 -25.081
  218    HZ2  LYS  27           HZ2      LYS  27  -6.015  20.078 -24.567
  219    HZ3  LYS  27           HZ3      LYS  27  -4.403  20.184 -24.756
  220    H    GLU  28           H        GLU  28  -4.691  13.303 -20.731
  221    HA   GLU  28           HA       GLU  28  -7.605  12.778 -21.138
  222    HB2  GLU  28           HB2      GLU  28  -5.239  10.885 -21.447
  223    HB3  GLU  28           HB3      GLU  28  -6.917  10.548 -21.837
  224    HG2  GLU  28           HG2      GLU  28  -5.075  12.473 -23.294
  225    HG3  GLU  28           HG3      GLU  28  -5.622  10.903 -23.852
  226    H    VAL  29           H        VAL  29  -4.849  12.497 -18.978
  227    HA   VAL  29           HA       VAL  29  -5.533  10.531 -17.262
  228    HB   VAL  29           HB       VAL  29  -3.512  12.175 -17.344
  229   HG11  VAL  29          HG11      VAL  29  -5.010  13.606 -15.129
  230   HG12  VAL  29          HG12      VAL  29  -3.381  13.928 -15.744
  231   HG13  VAL  29          HG13      VAL  29  -4.780  14.245 -16.773
  232   HG21  VAL  29          HG21      VAL  29  -2.851  11.579 -15.048
  233   HG22  VAL  29          HG22      VAL  29  -4.519  11.086 -14.690
  234   HG23  VAL  29          HG23      VAL  29  -3.570  10.212 -15.912
  235    H    LYS  30           H        LYS  30  -7.159  13.637 -17.417
  236    HA   LYS  30           HA       LYS  30  -8.167  13.872 -14.850
  237    HB2  LYS  30           HB2      LYS  30  -8.167  15.541 -16.737
  238    HB3  LYS  30           HB3      LYS  30  -9.567  14.739 -17.426
  239    HG2  LYS  30           HG2      LYS  30  -9.581  15.820 -14.573
  240    HG3  LYS  30           HG3      LYS  30  -9.823  16.876 -15.963
  241    HD2  LYS  30           HD2      LYS  30 -11.766  15.453 -16.680
  242    HD3  LYS  30           HD3      LYS  30 -11.614  14.552 -15.155
  243    HE2  LYS  30           HE2      LYS  30 -11.875  16.683 -13.891
  244    HE3  LYS  30           HE3      LYS  30 -12.049  17.560 -15.414
  245    HZ1  LYS  30           HZ1      LYS  30 -14.062  16.279 -15.852
  246    HZ2  LYS  30           HZ2      LYS  30 -13.905  15.463 -14.440
  247    HZ3  LYS  30           HZ3      LYS  30 -14.192  17.066 -14.434
  248    H    GLU  31           H        GLU  31  -9.709  12.103 -17.616
  249    HA   GLU  31           HA       GLU  31 -11.791  11.142 -15.739
  250    HB2  GLU  31           HB2      GLU  31 -11.462  10.441 -18.681
  251    HB3  GLU  31           HB3      GLU  31 -12.847  10.168 -17.645
  252    HG2  GLU  31           HG2      GLU  31 -13.499  11.998 -18.900
  253    HG3  GLU  31           HG3      GLU  31 -13.022  12.706 -17.358
  254    H    ARG  32           H        ARG  32  -9.085   9.842 -17.735
  255    HA   ARG  32           HA       ARG  32  -9.773   7.108 -17.282
  256    HB2  ARG  32           HB2      ARG  32  -7.310   8.539 -18.299
  257    HB3  ARG  32           HB3      ARG  32  -7.281   6.801 -18.032
  258    HG2  ARG  32           HG2      ARG  32  -8.193   6.400 -19.979
  259    HG3  ARG  32           HG3      ARG  32  -9.660   7.262 -19.542
  260    HD2  ARG  32           HD2      ARG  32  -7.225   8.797 -20.504
  261    HD3  ARG  32           HD3      ARG  32  -8.228   7.944 -21.671
  262    HE   ARG  32           HE       ARG  32  -8.910  10.321 -20.081
  263   HH11  ARG  32          HH11      ARG  32 -10.121   7.858 -22.349
  264   HH12  ARG  32          HH12      ARG  32 -11.436   8.823 -22.907
  265   HH21  ARG  32          HH21      ARG  32 -10.685  11.564 -20.748
  266   HH22  ARG  32          HH22      ARG  32 -11.747  10.993 -22.003
  267    H    ILE  33           H        ILE  33  -8.065   9.292 -15.146
  268    HA   ILE  33           HA       ILE  33  -6.605   7.440 -13.641
  269    HB   ILE  33           HB       ILE  33  -6.546   9.868 -13.330
  270   HG12  ILE  33          HG12      ILE  33  -6.522   9.918 -10.830
  271   HG13  ILE  33          HG13      ILE  33  -7.273   8.328 -10.817
  272   HG21  ILE  33          HG21      ILE  33  -9.262   9.638 -11.951
  273   HG22  ILE  33          HG22      ILE  33  -8.300  11.097 -12.136
  274   HG23  ILE  33          HG23      ILE  33  -8.998  10.341 -13.555
  275   HD11  ILE  33          HD11      ILE  33  -4.587   8.921 -12.110
  276   HD12  ILE  33          HD12      ILE  33  -4.810   8.289 -10.465
  277   HD13  ILE  33          HD13      ILE  33  -5.321   7.318 -11.850
  278    H    ALA  34           H        ALA  34 -10.165   7.963 -13.725
  279    HA   ALA  34           HA       ALA  34 -10.726   6.585 -11.300
  280    HB1  ALA  34           HB1      ALA  34 -12.336   8.087 -12.428
  281    HB2  ALA  34           HB2      ALA  34 -12.466   6.944 -13.787
  282    HB3  ALA  34           HB3      ALA  34 -13.034   6.476 -12.171
  283    H    THR  35           H        THR  35 -10.495   5.405 -14.708
  284    HA   THR  35           HA       THR  35 -11.124   2.676 -13.991
  285    HB   THR  35           HB       THR  35 -10.011   2.427 -16.416
  286    HG1  THR  35           HG1      THR  35  -9.246   4.620 -16.483
  287   HG21  THR  35          HG21      THR  35 -12.192   3.029 -17.414
  288   HG22  THR  35          HG22      THR  35 -12.402   2.107 -15.917
  289   HG23  THR  35          HG23      THR  35 -12.656   3.867 -15.914
  290    H    ALA  36           H        ALA  36  -8.100   4.582 -14.294
  291    HA   ALA  36           HA       ALA  36  -6.339   2.331 -14.193
  292    HB1  ALA  36           HB1      ALA  36  -5.669   4.567 -14.999
  293    HB2  ALA  36           HB2      ALA  36  -5.875   5.231 -13.363
  294    HB3  ALA  36           HB3      ALA  36  -4.623   4.019 -13.673
  295    H    VAL  37           H        VAL  37  -7.688   4.462 -11.639
  296    HA   VAL  37           HA       VAL  37  -6.782   2.599  -9.521
  297    HB   VAL  37           HB       VAL  37  -6.348   5.561  -9.424
  298   HG11  VAL  37          HG11      VAL  37  -5.043   5.011  -7.396
  299   HG12  VAL  37          HG12      VAL  37  -6.702   4.452  -7.227
  300   HG13  VAL  37          HG13      VAL  37  -5.416   3.290  -7.609
  301   HG21  VAL  37          HG21      VAL  37  -4.319   3.367  -9.974
  302   HG22  VAL  37          HG22      VAL  37  -4.748   4.722 -11.042
  303   HG23  VAL  37          HG23      VAL  37  -3.906   5.036  -9.534
  304    HA   PRO  38           HA       PRO  38 -11.194   3.845  -9.291
  305    HB2  PRO  38           HB2      PRO  38 -12.318   1.468  -8.531
  306    HB3  PRO  38           HB3      PRO  38 -11.719   1.787 -10.183
  307    HG2  PRO  38           HG2      PRO  38 -10.249   0.390  -7.924
  308    HG3  PRO  38           HG3      PRO  38 -10.496  -0.184  -9.608
  309    HD2  PRO  38           HD2      PRO  38  -8.220   1.100  -8.838
  310    HD3  PRO  38           HD3      PRO  38  -8.928   1.354 -10.462
  311    H    ASP  39           H        ASP  39  -9.127   4.175  -7.042
  312    HA   ASP  39           HA       ASP  39 -11.076   4.752  -4.948
  313    HB2  ASP  39           HB2      ASP  39 -10.365   2.595  -4.129
  314    HB3  ASP  39           HB3      ASP  39  -8.665   2.977  -4.428
  315    H    LYS  40           H        LYS  40 -10.751   6.923  -5.088
  316    HA   LYS  40           HA       LYS  40  -8.248   8.016  -5.878
  317    HB2  LYS  40           HB2      LYS  40  -9.260  10.179  -5.617
  318    HB3  LYS  40           HB3      LYS  40 -10.384   9.077  -6.398
  319    HG2  LYS  40           HG2      LYS  40 -11.658   8.849  -4.285
  320    HG3  LYS  40           HG3      LYS  40 -10.462   9.846  -3.443
  321    HD2  LYS  40           HD2      LYS  40 -12.380  11.216  -3.956
  322    HD3  LYS  40           HD3      LYS  40 -11.002  11.763  -4.920
  323    HE2  LYS  40           HE2      LYS  40 -11.901  10.463  -6.876
  324    HE3  LYS  40           HE3      LYS  40 -13.302  10.010  -5.896
  325    HZ1  LYS  40           HZ1      LYS  40 -13.800  11.907  -7.276
  326    HZ2  LYS  40           HZ2      LYS  40 -13.823  12.395  -5.722
  327    HZ3  LYS  40           HZ3      LYS  40 -12.543  12.770  -6.686
  328    H    ASN  41           H        ASN  41  -9.042   6.823  -2.805
  329    HA   ASN  41           HA       ASN  41  -7.320   8.743  -1.402
  330    HB2  ASN  41           HB2      ASN  41  -9.302   7.760  -0.285
  331    HB3  ASN  41           HB3      ASN  41  -8.576   6.154  -0.439
  332   HD21  ASN  41          HD22      ASN  41  -7.300   9.422   0.650
  333   HD22  ASN  41          HD21      ASN  41  -6.806   8.826   2.213
  334    H    ASP  42           H        ASP  42  -6.823   5.967  -3.390
  335    HA   ASP  42           HA       ASP  42  -4.614   4.826  -1.908
  336    HB2  ASP  42           HB2      ASP  42  -6.039   3.560  -3.537
  337    HB3  ASP  42           HB3      ASP  42  -5.322   4.512  -4.849
  338    H    THR  43           H        THR  43  -2.337   4.819  -2.625
  339    HA   THR  43           HA       THR  43  -1.415   7.474  -3.311
  340    HB   THR  43           HB       THR  43   0.344   5.028  -3.315
  341    HG1  THR  43           HG1      THR  43  -0.394   4.531  -1.497
  342   HG21  THR  43          HG21      THR  43   1.384   7.201  -3.780
  343   HG22  THR  43          HG22      THR  43   0.757   7.846  -2.248
  344   HG23  THR  43          HG23      THR  43   1.958   6.532  -2.246
  345    H    VAL  44           H        VAL  44  -0.665   8.219  -5.329
  346    HA   VAL  44           HA       VAL  44  -0.244   6.221  -7.479
  347    HB   VAL  44           HB       VAL  44  -1.826   8.777  -7.857
  348   HG11  VAL  44          HG11      VAL  44  -1.354   6.413  -9.736
  349   HG12  VAL  44          HG12      VAL  44  -2.365   7.829 -10.092
  350   HG13  VAL  44          HG13      VAL  44  -0.626   8.028  -9.891
  351   HG21  VAL  44          HG21      VAL  44  -3.305   7.347  -6.615
  352   HG22  VAL  44          HG22      VAL  44  -3.820   7.312  -8.299
  353   HG23  VAL  44          HG23      VAL  44  -2.890   5.949  -7.626
  354    H    LYS  45           H        LYS  45   1.555   6.679  -8.643
  355    HA   LYS  45           HA       LYS  45   2.948   9.262  -8.080
  356    HB2  LYS  45           HB2      LYS  45   3.968   6.427  -8.449
  357    HB3  LYS  45           HB3      LYS  45   5.011   7.842  -8.669
  358    HG2  LYS  45           HG2      LYS  45   4.575   8.622  -6.408
  359    HG3  LYS  45           HG3      LYS  45   3.387   7.336  -6.135
  360    HD2  LYS  45           HD2      LYS  45   5.111   5.624  -6.287
  361    HD3  LYS  45           HD3      LYS  45   6.344   6.847  -6.682
  362    HE2  LYS  45           HE2      LYS  45   6.113   7.909  -4.525
  363    HE3  LYS  45           HE3      LYS  45   4.683   6.945  -4.131
  364    HZ1  LYS  45           HZ1      LYS  45   6.719   6.146  -3.054
  365    HZ2  LYS  45           HZ2      LYS  45   5.998   5.003  -3.968
  366    HZ3  LYS  45           HZ3      LYS  45   7.368   5.763  -4.503
  367    H    VAL  46           H        VAL  46   3.275  10.526  -9.739
  368    HA   VAL  46           HA       VAL  46   2.987   9.441 -12.511
  369    HB   VAL  46           HB       VAL  46   2.087  11.665 -13.114
  370   HG11  VAL  46          HG11      VAL  46   0.425  10.199 -11.012
  371   HG12  VAL  46          HG12      VAL  46  -0.183  11.247 -12.306
  372   HG13  VAL  46          HG13      VAL  46   0.614   9.722 -12.714
  373   HG21  VAL  46          HG21      VAL  46   2.866  13.007 -11.132
  374   HG22  VAL  46          HG22      VAL  46   1.142  13.170 -11.471
  375   HG23  VAL  46          HG23      VAL  46   1.676  12.149 -10.128
  376    H    TYR  47           H        TYR  47   4.458  10.229 -14.068
  377    HA   TYR  47           HA       TYR  47   6.545  12.089 -13.321
  378    HB2  TYR  47           HB2      TYR  47   8.388  10.578 -13.729
  379    HB3  TYR  47           HB3      TYR  47   7.383   9.873 -12.478
  380    HD1  TYR  47           HD2      TYR  47   5.624   8.080 -13.199
  381    HD2  TYR  47           HD1      TYR  47   8.855   9.398 -15.726
  382    HE1  TYR  47           HE2      TYR  47   5.254   6.140 -14.659
  383    HE2  TYR  47           HE1      TYR  47   8.506   7.409 -17.192
  384    HH   TYR  47           HH       TYR  47   5.936   5.029 -16.615
  385    H    CYS  48           H        CYS  48   7.810  12.641 -15.272
  386    HA   CYS  48           HA       CYS  48   6.820  11.903 -17.932
  387    HB2  CYS  48           HB2      CYS  48   6.246  14.546 -16.541
  388    HB3  CYS  48           HB3      CYS  48   6.556  14.533 -18.286
  389    HG   CYS  48           HG       CYS  48   4.519  12.465 -16.801
  390    H    ASN  49           H        ASN  49   8.174  12.990 -19.563
  391    HA   ASN  49           HA       ASN  49  10.802  12.758 -19.343
  392    HB2  ASN  49           HB2      ASN  49   9.600  13.176 -21.450
  393    HB3  ASN  49           HB3      ASN  49   9.452  14.886 -21.033
  394   HD21  ASN  49          HD22      ASN  49  10.955  16.115 -22.177
  395   HD22  ASN  49          HD21      ASN  49  12.568  15.589 -22.562
  396    H    ALA  50           H        ALA  50   9.218  15.752 -18.132
  397    HA   ALA  50           HA       ALA  50  11.910  16.604 -17.160
  398    HB1  ALA  50           HB1      ALA  50  11.378  18.905 -17.654
  399    HB2  ALA  50           HB2      ALA  50  11.175  17.957 -19.135
  400    HB3  ALA  50           HB3      ALA  50   9.747  18.474 -18.194
  401    H    GLY  51           H        GLY  51   9.137  15.342 -15.989
  402    HA2  GLY  51           HA2      GLY  51   8.367  15.210 -13.857
  403    HA3  GLY  51           HA3      GLY  51   9.514  16.462 -13.363
  404    H    ARG  52           H        ARG  52   8.717  18.573 -15.041
  405    HA   ARG  52           HA       ARG  52   6.703  19.808 -13.649
  406    HB2  ARG  52           HB2      ARG  52   8.192  21.094 -15.032
  407    HB3  ARG  52           HB3      ARG  52   7.734  20.210 -16.485
  408    HG2  ARG  52           HG2      ARG  52   6.822  22.460 -16.529
  409    HG3  ARG  52           HG3      ARG  52   5.531  21.262 -16.521
  410    HD2  ARG  52           HD2      ARG  52   5.244  21.657 -14.050
  411    HD3  ARG  52           HD3      ARG  52   6.484  22.920 -14.137
  412    HE   ARG  52           HE       ARG  52   4.792  23.773 -16.035
  413   HH11  ARG  52          HH11      ARG  52   4.120  22.697 -12.719
  414   HH12  ARG  52          HH12      ARG  52   2.699  23.656 -12.543
  415   HH21  ARG  52          HH21      ARG  52   2.898  25.051 -15.805
  416   HH22  ARG  52          HH22      ARG  52   1.997  25.029 -14.340
  417    H    GLN  53           H        GLN  53   6.283  17.976 -16.711
  418    HA   GLN  53           HA       GLN  53   3.561  18.721 -17.045
  419    HB2  GLN  53           HB2      GLN  53   4.798  16.164 -18.101
  420    HB3  GLN  53           HB3      GLN  53   3.458  17.089 -18.750
  421    HG2  GLN  53           HG2      GLN  53   5.103  17.676 -20.209
  422    HG3  GLN  53           HG3      GLN  53   5.256  18.999 -19.061
  423   HE21  GLN  53          HE22      GLN  53   7.338  18.430 -20.806
  424   HE22  GLN  53          HE21      GLN  53   8.675  17.738 -19.928
  425    H    SER  54           H        SER  54   5.084  15.919 -15.370
  426    HA   SER  54           HA       SER  54   2.575  14.755 -14.597
  427    HB2  SER  54           HB2      SER  54   4.285  13.772 -12.780
  428    HB3  SER  54           HB3      SER  54   4.172  13.187 -14.440
  429    HG   SER  54           HG       SER  54   6.035  15.148 -13.535
  430    H    GLY  55           H        GLY  55   4.615  17.321 -13.189
  431    HA2  GLY  55           HA2      GLY  55   3.272  17.622 -10.702
  432    HA3  GLY  55           HA3      GLY  55   4.073  18.896 -11.649
  433    H    GLN  56           H        GLN  56   2.565  18.973 -13.986
  434    HA   GLN  56           HA       GLN  56   0.200  20.386 -13.259
  435    HB2  GLN  56           HB2      GLN  56   0.766  19.013 -15.914
  436    HB3  GLN  56           HB3      GLN  56  -0.419  20.273 -15.615
  437    HG2  GLN  56           HG2      GLN  56   1.455  21.832 -14.987
  438    HG3  GLN  56           HG3      GLN  56   2.611  20.565 -15.415
  439   HE21  GLN  56          HE22      GLN  56  -0.015  22.615 -16.811
  440   HE22  GLN  56          HE21      GLN  56   0.608  22.559 -18.438
  441    H    ALA  57           H        ALA  57   0.593  17.030 -14.568
  442    HA   ALA  57           HA       ALA  57  -2.128  16.318 -14.491
  443    HB1  ALA  57           HB1      ALA  57  -0.348  14.912 -15.547
  444    HB2  ALA  57           HB2      ALA  57   0.262  14.514 -13.922
  445    HB3  ALA  57           HB3      ALA  57  -1.351  13.983 -14.416
  446    H    LYS  58           H        LYS  58   0.302  16.273 -11.917
  447    HA   LYS  58           HA       LYS  58  -1.305  14.845 -10.005
  448    HB2  LYS  58           HB2      LYS  58   1.103  14.993  -9.790
  449    HB3  LYS  58           HB3      LYS  58   1.061  16.741  -9.607
  450    HG2  LYS  58           HG2      LYS  58  -0.515  15.038  -7.678
  451    HG3  LYS  58           HG3      LYS  58   1.240  15.081  -7.518
  452    HD2  LYS  58           HD2      LYS  58   1.319  17.347  -6.969
  453    HD3  LYS  58           HD3      LYS  58  -0.235  17.704  -7.728
  454    HE2  LYS  58           HE2      LYS  58  -1.376  16.309  -5.999
  455    HE3  LYS  58           HE3      LYS  58   0.163  16.142  -5.143
  456    HZ1  LYS  58           HZ1      LYS  58  -1.047  18.773  -5.816
  457    HZ2  LYS  58           HZ2      LYS  58  -1.337  18.002  -4.397
  458    HZ3  LYS  58           HZ3      LYS  58   0.183  18.493  -4.768
  459    H    GLU  59           H        GLU  59  -1.061  18.347 -10.799
  460    HA   GLU  59           HA       GLU  59  -2.872  19.083  -8.664
  461    HB2  GLU  59           HB2      GLU  59  -1.898  20.552 -11.140
  462    HB3  GLU  59           HB3      GLU  59  -2.998  21.263  -9.959
  463    HG2  GLU  59           HG2      GLU  59  -0.212  20.202  -9.305
  464    HG3  GLU  59           HG3      GLU  59  -0.614  21.888  -9.592
  465    H    ILE  60           H        ILE  60  -3.368  18.181 -12.127
  466    HA   ILE  60           HA       ILE  60  -6.169  18.772 -12.202
  467    HB   ILE  60           HB       ILE  60  -4.659  16.492 -13.558
  468   HG12  ILE  60          HG12      ILE  60  -5.488  19.198 -14.699
  469   HG13  ILE  60          HG13      ILE  60  -3.860  18.787 -14.185
  470   HG21  ILE  60          HG21      ILE  60  -7.099  16.030 -13.474
  471   HG22  ILE  60          HG22      ILE  60  -7.415  17.608 -14.225
  472   HG23  ILE  60          HG23      ILE  60  -6.552  16.327 -15.108
  473   HD11  ILE  60          HD11      ILE  60  -5.377  17.629 -16.538
  474   HD12  ILE  60          HD12      ILE  60  -3.838  18.500 -16.522
  475   HD13  ILE  60          HD13      ILE  60  -3.931  16.846 -15.873
  476    H    LEU  61           H        LEU  61  -4.371  15.843 -11.108
  477    HA   LEU  61           HA       LEU  61  -6.776  14.472 -10.357
  478    HB2  LEU  61           HB2      LEU  61  -3.904  13.989  -9.483
  479    HB3  LEU  61           HB3      LEU  61  -5.287  12.908  -9.225
  480    HG   LEU  61           HG       LEU  61  -4.066  13.645 -11.915
  481   HD11  LEU  61          HD11      LEU  61  -2.798  11.988 -10.632
  482   HD12  LEU  61          HD12      LEU  61  -4.263  10.994 -10.449
  483   HD13  LEU  61          HD13      LEU  61  -3.551  11.263 -12.057
  484   HD21  LEU  61          HD21      LEU  61  -6.585  12.126 -11.273
  485   HD22  LEU  61          HD22      LEU  61  -6.399  13.529 -12.345
  486   HD23  LEU  61          HD23      LEU  61  -5.725  11.980 -12.831
  487    H    SER  62           H        SER  62  -4.680  16.713  -8.594
  488    HA   SER  62           HA       SER  62  -5.860  16.263  -6.012
  489    HB2  SER  62           HB2      SER  62  -4.619  18.806  -7.139
  490    HB3  SER  62           HB3      SER  62  -4.904  18.430  -5.432
  491    HG   SER  62           HG       SER  62  -3.216  16.979  -7.226
  492    H    GLU  63           H        GLU  63  -6.761  18.392  -8.801
  493    HA   GLU  63           HA       GLU  63  -8.982  19.614  -7.475
  494    HB2  GLU  63           HB2      GLU  63  -7.810  20.403  -9.588
  495    HB3  GLU  63           HB3      GLU  63  -8.620  19.102 -10.457
  496    HG2  GLU  63           HG2      GLU  63  -9.856  21.101 -10.832
  497    HG3  GLU  63           HG3      GLU  63 -10.835  20.073  -9.800
  498    H    MET  64           H        MET  64  -8.621  16.593  -9.359
  499    HA   MET  64           HA       MET  64 -11.387  15.777  -9.162
  500    HB2  MET  64           HB2      MET  64  -8.817  14.230  -9.656
  501    HB3  MET  64           HB3      MET  64 -10.401  13.487  -9.666
  502    HG2  MET  64           HG2      MET  64  -9.591  15.781 -11.484
  503    HG3  MET  64           HG3      MET  64  -9.509  14.081 -11.927
  504    HE1  MET  64           HE1      MET  64 -13.181  12.950 -12.275
  505    HE2  MET  64           HE2      MET  64 -11.461  12.503 -12.301
  506    HE3  MET  64           HE3      MET  64 -12.283  12.799 -10.754
  507    H    GLY  65           H        GLY  65  -9.109  16.174  -6.673
  508    HA2  GLY  65           HA2      GLY  65  -9.591  15.938  -4.453
  509    HA3  GLY  65           HA3      GLY  65 -10.930  14.846  -4.825
  510    H    TYR  66           H        TYR  66  -7.883  13.961  -6.317
  511    HA   TYR  66           HA       TYR  66  -7.722  11.540  -4.711
  512    HB2  TYR  66           HB2      TYR  66  -5.941  12.738  -6.866
  513    HB3  TYR  66           HB3      TYR  66  -5.521  11.291  -5.969
  514    HD1  TYR  66           HD2      TYR  66  -8.486  12.631  -7.916
  515    HD2  TYR  66           HD1      TYR  66  -6.045   9.219  -6.909
  516    HE1  TYR  66           HE2      TYR  66  -9.970  11.189  -9.256
  517    HE2  TYR  66           HE1      TYR  66  -7.516   7.772  -8.284
  518    HH   TYR  66           HH       TYR  66 -10.485   9.014  -9.884
  519    H    THR  67           H        THR  67  -6.626  11.298  -2.795
  520    HA   THR  67           HA       THR  67  -5.575  13.766  -1.649
  521    HB   THR  67           HB       THR  67  -5.591  12.360   0.451
  522    HG1  THR  67           HG1      THR  67  -5.372  10.322  -0.409
  523   HG21  THR  67          HG21      THR  67  -8.208  12.317  -1.121
  524   HG22  THR  67          HG22      THR  67  -8.016  12.245   0.643
  525   HG23  THR  67          HG23      THR  67  -7.570  13.720  -0.233
  526    H    HIS  68           H        HIS  68  -4.176  10.859  -2.992
  527    HA   HIS  68           HA       HIS  68  -1.521  11.537  -1.825
  528    HB2  HIS  68           HB2      HIS  68  -2.820   8.794  -2.055
  529    HB3  HIS  68           HB3      HIS  68  -1.169   9.101  -1.508
  530    HD1  HIS  68           HD1      HIS  68  -4.214   8.195   0.055
  531    HD2  HIS  68           HD2      HIS  68  -1.331  11.209   0.680
  532    HE1  HIS  68           HE1      HIS  68  -4.430   8.912   2.492
  533    H    VAL  69           H        VAL  69  -2.441  12.355  -4.370
  534    HA   VAL  69           HA       VAL  69  -0.894  10.744  -6.297
  535    HB   VAL  69           HB       VAL  69  -1.430  12.849  -7.725
  536   HG11  VAL  69          HG11      VAL  69  -3.776  11.827  -8.138
  537   HG12  VAL  69          HG12      VAL  69  -2.351  10.823  -8.357
  538   HG13  VAL  69          HG13      VAL  69  -3.346  10.665  -6.882
  539   HG21  VAL  69          HG21      VAL  69  -3.424  14.095  -7.206
  540   HG22  VAL  69          HG22      VAL  69  -3.702  13.172  -5.725
  541   HG23  VAL  69          HG23      VAL  69  -2.317  14.277  -5.849
  542    H    GLU  70           H        GLU  70   1.235  11.246  -6.784
  543    HA   GLU  70           HA       GLU  70   2.342  13.817  -5.837
  544    HB2  GLU  70           HB2      GLU  70   2.664  12.189  -3.996
  545    HB3  GLU  70           HB3      GLU  70   3.425  11.055  -5.113
  546    HG2  GLU  70           HG2      GLU  70   5.089  12.211  -3.750
  547    HG3  GLU  70           HG3      GLU  70   5.310  12.587  -5.448
  548    H    ASN  71           H        ASN  71   4.159  14.465  -7.020
  549    HA   ASN  71           HA       ASN  71   4.598  13.022  -9.577
  550    HB2  ASN  71           HB2      ASN  71   4.397  15.366  -9.980
  551    HB3  ASN  71           HB3      ASN  71   5.475  15.764  -8.628
  552   HD21  ASN  71          HD22      ASN  71   5.857  13.261 -11.284
  553   HD22  ASN  71          HD21      ASN  71   7.357  13.927 -11.862
  554    H    ALA  72           H        ALA  72   6.013  11.368  -9.357
  555    HA   ALA  72           HA       ALA  72   7.823  11.120  -7.144
  556    HB1  ALA  72           HB1      ALA  72   7.730   9.676  -9.828
  557    HB2  ALA  72           HB2      ALA  72   8.703   9.185  -8.422
  558    HB3  ALA  72           HB3      ALA  72   6.934   9.173  -8.318
  559    H    GLY  73           H        GLY  73   8.170  12.537 -10.384
  560    HA2  GLY  73           HA2      GLY  73  10.128  14.314 -10.122
  561    HA3  GLY  73           HA3      GLY  73  11.087  12.816 -10.187
  562    H    GLY  74           H        GLY  74  11.952  13.738 -12.185
  563    HA2  GLY  74           HA2      GLY  74  10.160  13.594 -14.522
  564    HA3  GLY  74           HA3      GLY  74  11.858  14.084 -14.540
  565    H    LEU  75           H        LEU  75  10.704  12.104 -16.265
  566    HA   LEU  75           HA       LEU  75  11.202   9.419 -15.546
  567    HB2  LEU  75           HB2      LEU  75  10.031  10.138 -17.567
  568    HB3  LEU  75           HB3      LEU  75  11.454  10.928 -18.190
  569    HG   LEU  75           HG       LEU  75  10.646   8.722 -19.199
  570   HD11  LEU  75          HD11      LEU  75  12.861   8.082 -19.901
  571   HD12  LEU  75          HD12      LEU  75  12.750   9.840 -19.817
  572   HD13  LEU  75          HD13      LEU  75  13.608   8.942 -18.547
  573   HD21  LEU  75          HD21      LEU  75  11.201   6.656 -18.319
  574   HD22  LEU  75          HD22      LEU  75  12.372   7.316 -17.175
  575   HD23  LEU  75          HD23      LEU  75  10.647   7.521 -16.876
  576    H    LYS  76           H        LYS  76  13.464  11.957 -16.550
  577    HA   LYS  76           HA       LYS  76  15.786  10.231 -16.680
  578    HB2  LYS  76           HB2      LYS  76  15.548  13.266 -16.437
  579    HB3  LYS  76           HB3      LYS  76  17.017  12.374 -16.850
  580    HG2  LYS  76           HG2      LYS  76  15.914  11.483 -18.895
  581    HG3  LYS  76           HG3      LYS  76  14.462  12.431 -18.520
  582    HD2  LYS  76           HD2      LYS  76  15.795  14.524 -18.632
  583    HD3  LYS  76           HD3      LYS  76  17.237  13.569 -19.053
  584    HE2  LYS  76           HE2      LYS  76  16.037  12.690 -21.061
  585    HE3  LYS  76           HE3      LYS  76  14.633  13.682 -20.647
  586    HZ1  LYS  76           HZ1      LYS  76  16.026  15.652 -20.948
  587    HZ2  LYS  76           HZ2      LYS  76  17.322  14.731 -21.326
  588    HZ3  LYS  76           HZ3      LYS  76  16.025  14.751 -22.307
  589    H    ASP  77           H        ASP  77  13.987  10.958 -13.980
  590    HA   ASP  77           HA       ASP  77  16.354  11.206 -12.189
  591    HB2  ASP  77           HB2      ASP  77  15.240  13.369 -12.490
  592    HB3  ASP  77           HB3      ASP  77  13.703  12.661 -11.992
  593    H    ILE  78           H        ILE  78  13.001   9.780 -12.552
  594    HA   ILE  78           HA       ILE  78  13.016   8.525 -10.002
  595    HB   ILE  78           HB       ILE  78  11.827   7.631 -12.657
  596   HG12  ILE  78          HG12      ILE  78   9.679   7.867 -11.346
  597   HG13  ILE  78          HG13      ILE  78  10.602   8.523  -9.994
  598   HG21  ILE  78          HG21      ILE  78  10.621   5.839 -11.330
  599   HG22  ILE  78          HG22      ILE  78  12.335   5.534 -11.541
  600   HG23  ILE  78          HG23      ILE  78  11.717   6.152  -9.983
  601   HD11  ILE  78          HD11      ILE  78   9.449  10.230 -11.381
  602   HD12  ILE  78          HD12      ILE  78  11.193  10.482 -11.349
  603   HD13  ILE  78          HD13      ILE  78  10.415   9.729 -12.779
  604    H    ALA  79           H        ALA  79  14.090   6.832  -9.151
  605    HA   ALA  79           HA       ALA  79  16.294   5.587 -10.722
  606    HB1  ALA  79           HB1      ALA  79  16.271   6.486  -7.808
  607    HB2  ALA  79           HB2      ALA  79  17.617   5.691  -8.655
  608    HB3  ALA  79           HB3      ALA  79  17.095   7.311  -9.152
  609    H    MET  80           H        MET  80  14.100   4.279 -11.011
  610    HA   MET  80           HA       MET  80  14.230   1.923  -9.244
  611    HB2  MET  80           HB2      MET  80  11.683   3.387 -10.091
  612    HB3  MET  80           HB3      MET  80  11.713   1.743  -9.453
  613    HG2  MET  80           HG2      MET  80  12.726   2.545  -7.351
  614    HG3  MET  80           HG3      MET  80  12.739   4.193  -7.976
  615    HE1  MET  80           HE1      MET  80   9.742   1.490  -8.281
  616    HE2  MET  80           HE2      MET  80  10.538   1.207  -6.714
  617    HE3  MET  80           HE3      MET  80   8.895   1.880  -6.773
  618    HA   PRO  81           HA       PRO  81  14.615  -0.198 -13.013
  619    HB2  PRO  81           HB2      PRO  81  12.295  -1.992 -12.314
  620    HB3  PRO  81           HB3      PRO  81  13.934  -2.436 -12.872
  621    HG2  PRO  81           HG2      PRO  81  13.281  -2.625 -10.245
  622    HG3  PRO  81           HG3      PRO  81  14.875  -1.963 -10.733
  623    HD2  PRO  81           HD2      PRO  81  12.395  -0.459  -9.887
  624    HD3  PRO  81           HD3      PRO  81  14.103  -0.182  -9.433
  625    H    LYS  82           H        LYS  82  13.875  -0.394 -15.154
  626    HA   LYS  82           HA       LYS  82  11.225   0.800 -15.774
  627    HB2  LYS  82           HB2      LYS  82  13.937   1.416 -17.022
  628    HB3  LYS  82           HB3      LYS  82  12.388   1.942 -17.689
  629    HG2  LYS  82           HG2      LYS  82  11.911   3.301 -15.724
  630    HG3  LYS  82           HG3      LYS  82  13.362   2.699 -14.902
  631    HD2  LYS  82           HD2      LYS  82  14.790   3.701 -16.640
  632    HD3  LYS  82           HD3      LYS  82  13.341   4.325 -17.464
  633    HE2  LYS  82           HE2      LYS  82  12.784   5.736 -15.580
  634    HE3  LYS  82           HE3      LYS  82  14.064   5.029 -14.582
  635    HZ1  LYS  82           HZ1      LYS  82  14.499   7.253 -15.775
  636    HZ2  LYS  82           HZ2      LYS  82  15.687   6.113 -15.819
  637    HZ3  LYS  82           HZ3      LYS  82  14.736   6.341 -17.133
  638    H    VAL  83           H        VAL  83  10.515   0.311 -17.916
  639    HA   VAL  83           HA       VAL  83  11.395  -2.257 -19.099
  640    HB   VAL  83           HB       VAL  83   8.599  -1.505 -18.110
  641   HG11  VAL  83          HG11      VAL  83   9.511  -4.009 -19.609
  642   HG12  VAL  83          HG12      VAL  83   7.943  -3.825 -18.798
  643   HG13  VAL  83          HG13      VAL  83   8.324  -2.799 -20.169
  644   HG21  VAL  83          HG21      VAL  83   8.794  -3.476 -16.636
  645   HG22  VAL  83          HG22      VAL  83  10.463  -3.733 -17.192
  646   HG23  VAL  83          HG23      VAL  83  10.027  -2.287 -16.264
  647    H    LYS  84           H        LYS  84  10.081  -2.375 -21.356
  648    HA   LYS  84           HA       LYS  84  10.157   0.369 -22.549
  649    HB2  LYS  84           HB2      LYS  84  11.438  -2.141 -23.704
  650    HB3  LYS  84           HB3      LYS  84  11.431  -0.522 -24.411
  651    HG2  LYS  84           HG2      LYS  84  12.768   0.307 -22.449
  652    HG3  LYS  84           HG3      LYS  84  12.810  -1.335 -21.810
  653    HD2  LYS  84           HD2      LYS  84  14.891  -0.910 -22.907
  654    HD3  LYS  84           HD3      LYS  84  13.996  -2.122 -23.835
  655    HE2  LYS  84           HE2      LYS  84  13.286  -0.346 -25.441
  656    HE3  LYS  84           HE3      LYS  84  14.169   0.856 -24.492
  657    HZ1  LYS  84           HZ1      LYS  84  16.217  -0.335 -25.007
  658    HZ2  LYS  84           HZ2      LYS  84  15.403  -1.451 -25.883
  659    HZ3  LYS  84           HZ3      LYS  84  15.460   0.097 -26.382
  660    H    GLY  85           H        GLY  85   9.174   0.439 -24.716
  661    HA2  GLY  85           HA2      GLY  85   6.544  -0.629 -24.826
  662    HA3  GLY  85           HA3      GLY  85   7.440   0.098 -26.172