*HEADER    MEMBRANE PROTEIN, SIGNALING PROTEIN     18-SEP-09   2KOE              
*TITLE     HUMAN CANNABINOID RECEPTOR 1 - HELIX 7/8 PEPTIDE                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HUMAN CANNABINOID RECEPTOR 1 - HELIX 7/8 PEPTIDE;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    GPCR, HCB1, MEMBRANE PROTEIN, SIGNALING PROTEIN                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    18                                                                    
*AUTHOR    L.DESHMUKH, O.VINOGRADOVA, A.MAKRIYANNIS, E.TIBURU,                   
*AUTHOR   2 S.TYUKHTENKO, D.JANERO                                               
*REVDAT   1   06-OCT-09 2KOE    0                                                


assign (resid  10 and name    HA) (resid  12 and name    HN) 4.0 2.2 2.0 !T 1.099134 5 CYS/LEU 4.86 -8.60e-001 0 0
assign (resid  10 and name   HB1)  (resid  10 and name   HA)  4.0 2.2 2.0 !CYS CYS 127134.25195313
assign (resid  10 and name   HB1)  (resid  10 and name   HB2)  4.0 2.2 2.0 !CYS CYS 128450.75390625
assign (resid  10 and name    HB1) (resid  11 and name    HB1) 4.0 2.2 2.0 !B 1.035723 5 CYS/LEU 6.78 -2.78e+000 0 2
assign (resid  10 and name    HB1) (resid  11 and name    HB2) 4.0 2.2 2.0 !B 1.035723 5 CYS/LEU 5.97 -1.97e+000 0 2
assign (resid  10 and name    HB2) (resid  13 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 CYS/ASN 5.58 -1.58e+000 0 0
assign (resid  10 and name   HN)  (resid  10 and name   HA)  4.0 2.2 2.0 !CYS CYS 108479.4375
assign (resid  10 and name    HN) (resid  10 and name    HB1) 4.0 2.2 2.0 ! 1.041760 5 CYS/CYS 3.62 3.77e-001 0 0
assign (resid  10 and name   HN)  (resid  10 and name   HB1)  4.0 2.2 2.0 !CYS CYS 107503.484375
assign (resid  10 and name   HN)  (resid  10 and name   HB2)  4.0 2.2 2.0 !CYS CYS 110438.80078125
assign (resid  11 and name   HA)  (resid  11 and name   HN)  4.0 2.2 2.0 !LEU LEU 28868.760742188
assign (resid  11 and name    HB1) (resid  12 and name   HD#) 4.0 2.2 2.0 !TAISPA 1.000000 2 LEU/LEU 7.65 -4.65e+000 2 0
assign (resid  11 and name    HB1) (resid  12 and name    HG) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/LEU 6.54 -4.54e+000 2 0
assign (resid  11 and name    HB1) (resid  12 and name    HN) 4.0 2.2 2.0 !A 1.011819 5 LEU/LEU 3.18 -1.78e-001 2 0
assign (resid  11 and name    HB1) (resid  13 and name    HN) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/ASN 4.75 -7.53e-001 2 0
assign (resid  11 and name    HB2) (resid  12 and name   HD#) 4.0 2.2 2.0 !TAISPA 1.000000 2 LEU/LEU 7.37 -4.37e+000 2 0
assign (resid  11 and name    HB2) (resid  12 and name    HG) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/LEU 6.71 -4.71e+000 2 0
assign (resid  11 and name    HB2) (resid  12 and name    HN) 4.0 2.2 2.0 !A 1.011819 5 LEU/LEU 2.54 -5.39e-001 2 0
assign (resid  11 and name    HB2) (resid  13 and name    HN) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/ASN 4.67 -6.69e-001 2 0
assign (resid  11 and name   HB#)  (resid  11 and name   HA)  4.0 2.2 2.0 !LEU LEU 79212.98828125
assign (resid  11 and name   HB#)  (resid  11 and name   HD#)  4.0 2.2 2.0 !LEU LEU 80332.046875
assign (resid  11 and name   HB#)  (resid  11 and name   HG)  4.0 2.2 2.0 !LEU LEU 79762.217529297
assign (resid  11 and name   HB#)  (resid  11 and name   HN)  4.0 2.2 2.0 !LEU LEU 79403.103515625
assign (resid  11 and name   HD#)  (resid  11 and name   HA)  4.0 2.2 2.0 !LEU LEU 225752.50585938
assign (resid  11 and name   HD#)  (resid  9 and name   HN)  4.0 2.2 2.0 !LEU LEU 227451.2109375
assign (resid  11 and name   HG)  (resid  11 and name   HA)  4.0 2.2 2.0 !LEU LEU 137808.34375
assign (resid  11 and name   HG)  (resid  11 and name   HD#)  4.0 2.2 2.0 !LEU LEU 138882.375
assign (resid  11 and name   HG) (resid  11 and name   HD#) 4.0 2.2 2.0 !F 1.000000 2 LEU/LEU 2.82 1.84e-001 0 0
assign (resid  11 and name    HG) (resid  12 and name    HN) 4.0 2.2 2.0 ! 1.026415 5 LEU/LEU 4.99 -9.87e-001 0 0
assign (resid  11 and name   HN)  (resid  11 and name   HD#)  4.0 2.2 2.0 !LEU LEU 84415.216796875
assign (resid  11 and name   HN)  (resid  11 and name   HG)  4.0 2.2 2.0 !LEU LEU 83072.5859375
assign (resid  11 and name    HN) (resid  12 and name    HN) 4.0 2.2 2.0 ! 1.061791 5 LEU/LEU 2.61 -6.14e-001 0 0
assign (resid  11 and name   HN)  (resid  8 and name   HA)  4.0 2.2 2.0 !LEU MET 84656.403442383
assign (resid  12 and name   HA)  (resid  12 and name   HB#)  4.0 2.2 2.0 !LEU LEU 17276.575683594
assign (resid  12 and name   HA)  (resid  12 and name   HD#)  4.0 2.2 2.0 !LEU LEU 17101.870117188
assign (resid  12 and name   HA)  (resid  12 and name   HN)  4.0 2.2 2.0 !LEU LEU 17004.264648438
assign (resid  12 and name   HA)  (resid  13 and name   HN)  4.0 2.2 2.0 !LEU ASN 17155.864746094
assign (resid  12 and name   HB1) (resid  12 and name   HD#) 4.0 2.2 2.0 !A 1.023653 2 LEU/LEU 3.52 4.78e-001 2 0
assign (resid  12 and name   HB1) (resid  13 and name    HB1) 4.0 2.2 2.0 !AB 0.969887 5 LEU/ASN 6.00 -2.00e+000 2 2
assign (resid  12 and name   HB1) (resid  13 and name    HB2) 4.0 2.2 2.0 !AB 0.969887 5 LEU/ASN 5.04 -1.04e+000 2 2
assign (resid  12 and name   HB1) (resid  14 and name    HN) 4.0 2.2 2.0 !TA 1.099083 5 LEU/SER 5.82 -1.82e+000 2 0
assign (resid  12 and name   HB1) (resid  15 and name   HG2#) 4.0 2.2 2.0 !A 0.966324 2 LEU/THR 6.31 -2.31e+000 2 0
assign (resid  12 and name   HB1) (resid  26 and name    HG2) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/LYS 5.93 -1.93e+000 2 0
assign (resid  12 and name   HB2) (resid  12 and name   HD#) 4.0 2.2 2.0 !A 1.023653 2 LEU/LEU 2.89 1.11e-001 2 0
assign (resid  12 and name   HB2) (resid  13 and name    HB1) 4.0 2.2 2.0 !ABISPAC 1.000000 5 LEU/ASN 7.43 -3.43e+000 2 2
assign (resid  12 and name   HB2) (resid  13 and name    HB2) 4.0 2.2 2.0 !AB 0.969887 5 LEU/ASN 6.40 -2.40e+000 2 2
assign (resid  12 and name   HB2) (resid  14 and name    HN) 4.0 2.2 2.0 !TA 1.099083 5 LEU/SER 6.74 -2.74e+000 2 0
assign (resid  12 and name   HB2) (resid  15 and name   HG2#) 4.0 2.2 2.0 !A 0.966324 2 LEU/THR 5.67 -1.67e+000 2 0
assign (resid  12 and name   HD#)  (resid  12 and name   HB#)  4.0 2.2 2.0 !LEU LEU 42342.139648438
assign (resid  12 and name   HD#)  (resid  12 and name   HG)  4.0 2.2 2.0 !LEU LEU 42075.564697266
assign (resid  12 and name   HD#)  (resid  13 and name   HN)  4.0 2.2 2.0 !LEU ASN 42034.661132813
assign (resid  12 and name   HD#)  (resid  17 and name   HD22)  4.0 2.2 2.0 !LEU ASN 42226.240234375
assign (resid  12 and name   HD#) (resid  26 and name    HD2) 4.0 2.2 2.0 !T 1.098475 2 LEU/LYS 4.21 -1.21e+000 0 0
assign (resid  12 and name   HG)  (resid  12 and name   HA)  4.0 2.2 2.0 !LEU LEU 126684.48632813
assign (resid  12 and name   HG)  (resid  12 and name   HB#)  4.0 2.2 2.0 !LEU LEU 126908.859375
assign (resid  12 and name   HN)  (resid  11 and name   HB#)  4.0 2.2 2.0 !LEU LEU 17384.19921875
assign (resid  12 and name   HN)  (resid  11 and name   HN)  4.0 2.2 2.0 !LEU LEU 17490.359619141
assign (resid  12 and name   HN)  (resid  12 and name   HB#)  4.0 2.2 2.0 !LEU LEU 17965.079589844
assign (resid  12 and name    HN) (resid  12 and name   HD#) 4.0 2.2 2.0 ! 1.057247 2 LEU/LEU 5.28 -1.28e+000 0 0
assign (resid  12 and name   HN)  (resid  12 and name   HD#)  4.0 2.2 2.0 !LEU LEU 17351.2890625
assign (resid  12 and name   HN)  (resid  12 and name   HG)  4.0 2.2 2.0 !LEU LEU 17802.084716797
assign (resid  12 and name    HN) (resid  13 and name    HA) 4.0 2.2 2.0 !T 1.094703 5 LEU/ASN 5.42 -1.42e+000 0 0
assign (resid  12 and name    HN) (resid  13 and name    HB1) 4.0 2.2 2.0 !B 0.996436 5 LEU/ASN 6.40 -2.40e+000 0 2
assign (resid  12 and name    HN) (resid  13 and name    HB2) 4.0 2.2 2.0 !B 0.996436 5 LEU/ASN 4.96 -9.58e-001 0 2
assign (resid  12 and name    HN) (resid  13 and name    HN) 4.0 2.2 2.0 ! 1.072747 5 LEU/ASN 2.81 1.89e-001 0 0
assign (resid  12 and name   HN)  (resid  13 and name   HN)  4.0 2.2 2.0 !LEU ASN 17502.175048828
assign (resid  12 and name    HN) (resid  14 and name    HN) 4.0 2.2 2.0 !T 1.095246 5 LEU/SER 5.07 -1.07e+000 0 0
assign (resid  12 and name    HN) (resid  16 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/VAL 6.58 -2.58e+000 0 0
assign (resid  12 and name   HN)  (resid  8 and name   HA)  4.0 2.2 2.0 !LEU MET 18060.380371094
assign (resid  12 and name   HN)  (resid  9 and name   HA)  4.0 2.2 2.0 !LEU LEU 18187.220397949
assign (resid  13 and name    HA) (resid  13 and name    HB1) 4.0 2.2 2.0 !B 1.008627 5 ASN/ASN 2.55 -5.47e-001 0 2
assign (resid  13 and name    HA) (resid  13 and name    HB2) 4.0 2.2 2.0 !B 1.008627 5 ASN/ASN 3.01 -1.46e-002 0 2
assign (resid  13 and name    HA) (resid  13 and name   HD21) 4.0 2.2 2.0 ! 0.974310 5 ASN/ASN 3.20 -1.96e-001 0 0
assign (resid  13 and name    HA) (resid  13 and name   HD22) 4.0 2.2 2.0 ! 0.961363 5 ASN/ASN 3.89 1.09e-001 0 0
assign (resid  13 and name    HA) (resid  14 and name    HN) 4.0 2.2 2.0 !T 1.097230 5 ASN/SER 3.53 4.73e-001 0 0
assign (resid  13 and name    HA) (resid  16 and name    HB) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/VAL 6.93 -2.93e+000 0 0
assign (resid  13 and name    HA) (resid  16 and name   HG2#) 4.0 2.2 2.0 !TISPA 1.000000 2 ASN/VAL 7.80 -4.80e+000 0 0
assign (resid  13 and name    HA) (resid  16 and name    HN) 4.0 2.2 2.0 !T 1.083914 5 ASN/VAL 4.41 -4.08e-001 0 0
assign (resid  13 and name    HA) (resid  17 and name   HD21) 4.0 2.2 2.0 !T 1.093279 5 ASN/ASN 5.50 -1.50e+000 0 0
assign (resid  13 and name    HA) (resid  17 and name    HN) 4.0 2.2 2.0 ! 0.969725 5 ASN/ASN 3.36 6.44e-001 0 0
assign (resid  13 and name    HA) (resid  18 and name    HG2) 4.0 2.2 2.0 ! 0.955782 5 ASN/PRO 5.15 -1.15e+000 0 0
assign (resid  13 and name    HA) (resid  23 and name   HD1#) 4.0 2.2 2.0 ! 1.081359 2 ASN/LEU 5.69 -1.69e+000 0 0
assign (resid  13 and name    HA) (resid  23 and name    HG) 4.0 2.2 2.0 !T 1.098086 5 ASN/LEU 5.34 -1.34e+000 0 0
assign (resid  13 and name    HB1) (resid  13 and name   HD21) 4.0 2.2 2.0 !A 0.908227 5 ASN/ASN 3.62 3.79e-001 2 0
assign (resid  13 and name    HB1) (resid  13 and name   HD22) 4.0 2.2 2.0 !A 0.908789 5 ASN/ASN 4.12 -1.23e-001 2 0
assign (resid  13 and name    HB1) (resid  14 and name    HB1) 4.0 2.2 2.0 !A 0.969888 5 ASN/SER 5.27 -1.27e+000 2 0
assign (resid  13 and name    HB1) (resid  14 and name    HN) 4.0 2.2 2.0 !TA 0.905093 5 ASN/SER 2.87 1.13e+000 2 0
assign (resid  13 and name    HB1) (resid  18 and name    HD1) 4.0 2.2 2.0 !A 0.910437 5 ASN/PRO 3.30 6.98e-001 2 0
assign (resid  13 and name    HB2) (resid  13 and name   HD21) 4.0 2.2 2.0 !A 0.908227 5 ASN/ASN 2.63 -6.28e-001 2 0
assign (resid  13 and name    HB2) (resid  13 and name   HD22) 4.0 2.2 2.0 !A 0.908789 5 ASN/ASN 3.66 3.37e-001 2 0
assign (resid  13 and name    HB2) (resid  14 and name    HB1) 4.0 2.2 2.0 !A 0.969888 5 ASN/SER 4.47 -4.74e-001 2 0
assign (resid  13 and name    HB2) (resid  14 and name    HN) 4.0 2.2 2.0 !TA 0.905093 5 ASN/SER 2.11 -1.06e-001 2 0
assign (resid  13 and name    HB2) (resid  18 and name    HD1) 4.0 2.2 2.0 !A 0.910437 5 ASN/PRO 4.60 -6.03e-001 2 0
assign (resid  13 and name   HB#)  (resid  13 and name   HA)  4.0 2.2 2.0 !ASN ASN 28764.010742188
assign (resid  13 and name   HB#)  (resid  13 and name   HD21)  4.0 2.2 2.0 !ASN ASN 28866
assign (resid  13 and name   HB#)  (resid  13 and name   HN)  4.0 2.2 2.0 !ASN ASN 28441.900390625
assign (resid  13 and name   HB#)  (resid  14 and name   HN)  4.0 2.2 2.0 !ASN SER 28436.934570313
assign (resid  13 and name   HD21)  (resid  13 and name   HA)  4.0 2.2 2.0 !ASN ASN 212111.2890625
assign (resid  13 and name   HD21) (resid  13 and name   HD22) 4.0 2.2 2.0 !F 1.000000 5 ASN/ASN 1.78 2.20e-001 0 0
assign (resid  13 and name   HD21) (resid  14 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/SER 6.65 -2.65e+000 0 0
assign (resid  13 and name   HD21) (resid  17 and name   HD22) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 7.76 -3.76e+000 0 0
assign (resid  13 and name   HD21) (resid  17 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 6.45 -2.45e+000 0 0
assign (resid  13 and name   HD21) (resid  26 and name    HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/LYS 6.95 -2.95e+000 0 0
assign (resid  13 and name   HD22)  (resid  13 and name   HA)  4.0 2.2 2.0 !ASN ASN 6741.1899414063
assign (resid  13 and name   HD22)  (resid  13 and name   HB#)  4.0 2.2 2.0 !ASN ASN 6109.4350585938
assign (resid  13 and name   HD22)  (resid  13 and name   HD21)  4.0 2.2 2.0 !ASN ASN 6942.7148513794
assign (resid  13 and name   HD22)  (resid  13 and name   HN)  4.0 2.2 2.0 !ASN ASN 6631.8548583984
assign (resid  13 and name   HD22) (resid  17 and name   HD22) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 7.10 -4.10e+000 0 0
assign (resid  13 and name   HD22) (resid  23 and name   HD1#) 4.0 2.2 2.0 ! 1.009138 2 ASN/LEU 4.58 -5.77e-001 0 0
assign (resid  13 and name   HD22)  (resid  9 and name   HD#)  4.0 2.2 2.0 !ASN LEU 6390.6047973633
assign (resid  13 and name   HN)  (resid  10 and name   HN)  4.0 2.2 2.0 !ASN CYS 86698.19921875
assign (resid  13 and name   HN)  (resid  11 and name   HA)  4.0 2.2 2.0 !ASN LEU 86596.3359375
assign (resid  13 and name   HN)  (resid  12 and name   HB#)  4.0 2.2 2.0 !ASN LEU 87315.78125
assign (resid  13 and name   HN)  (resid  13 and name   HA)  4.0 2.2 2.0 !ASN ASN 86810.908203125
assign (resid  13 and name   HN) (resid  13 and name    HA) 4.0 2.2 2.0 !T 1.095960 5 ASN/ASN 2.92 -9.23e-001 0 0
assign (resid  13 and name   HN) (resid  13 and name    HB1) 4.0 2.2 2.0 !B 0.973191 5 ASN/ASN 3.61 3.89e-001 0 2
assign (resid  13 and name   HN) (resid  13 and name    HB2) 4.0 2.2 2.0 !B 0.973191 5 ASN/ASN 2.35 -3.51e-001 0 2
assign (resid  13 and name   HN)  (resid  13 and name   HD21)  4.0 2.2 2.0  !ASN ASN 87023.3671875
assign (resid  13 and name   HN) (resid  13 and name   HD21) 4.0 2.2 2.0 !T 0.904323 5 ASN/ASN 2.00 2.41e-003 0 0
assign (resid  13 and name   HN) (resid  13 and name   HD22) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 3.66 3.39e-001 0 0
assign (resid  13 and name   HN) (resid  14 and name    HN) 4.0 2.2 2.0 ! 1.079035 5 ASN/SER 2.76 2.44e-001 0 0
assign (resid  13 and name   HN)  (resid  16 and name   HN)  4.0 2.2 2.0 !ASN VAL 87196.936553955
assign (resid  13 and name   HN)  (resid  9 and name   HA)  4.0 2.2 2.0 !ASN LEU 88484.109375
assign (resid  13 and name   HN)  (resid  9 and name   HN)  4.0 2.2 2.0 !ASN LEU 87674.752929688
assign (resid  14 and name   HA) (resid  15 and name   HG2#) 4.0 2.2 2.0 !T 1.096524 2 SER/THR 6.07 -2.07e+000 0 0
assign (resid  14 and name   HA)  (resid  15 and name   HN)  4.0 2.2 2.0 !SER THR 72379.111328125
assign (resid  14 and name   HA)  (resid  16 and name   HN)  4.0 2.2 2.0 !SER VAL 72831.921875
assign (resid  14 and name   HB1)  (resid  15 and name   HN)  4.0 2.2 2.0 !SER THR 22021.275878906
assign (resid  14 and name   HB2)  (resid  14 and name   HB1)  4.0 2.2 2.0 !SER SER 122708.98291016
assign (resid  14 and name   HN)  (resid  12 and name   HN)  4.0 2.2 2.0 !SER LEU 62243.66015625
assign (resid  14 and name   HN)  (resid  13 and name   HA)  4.0 2.2 2.0 !SER ASN 63906.099609375
assign (resid  14 and name   HN)  (resid  13 and name   HN)  4.0 2.2 2.0 !SER ASN 63496.665039063
assign (resid  14 and name   HN)  (resid  14 and name   HA)  4.0 2.2 2.0 !SER SER 62859.549804688
assign (resid  14 and name   HN) (resid  14 and name    HA) 4.0 2.2 2.0 ! 1.082892 5 SER/SER 2.80 2.00e-001 0 0
assign (resid  14 and name   HN)  (resid  14 and name   HB1)  4.0 2.2 2.0 !SER SER 62715.095703125
assign (resid  14 and name   HN)  (resid  14 and name   HB2)  4.0 2.2 2.0 !SER SER 64119.33984375
assign (resid  14 and name   HN) (resid  14 and name    HB2) 4.0 2.2 2.0 ! 1.032114 5 SER/SER 2.63 -6.34e-001 0 0
assign (resid  14 and name   HN) (resid  15 and name    HB) 4.0 2.2 2.0 !TISPA 1.000000 5 SER/THR 6.39 -2.39e+000 0 0
assign (resid  14 and name   HN) (resid  15 and name   HG2#) 4.0 2.2 2.0 ! 1.074682 2 SER/THR 5.31 -1.31e+000 0 0
assign (resid  14 and name   HN)  (resid  15 and name   HG2#)  4.0 2.2 2.0 !SER THR 65064.128662109
assign (resid  14 and name   HN)  (resid  15 and name   HN)  4.0 2.2 2.0 !SER THR 63339.130859375
assign (resid  15 and name    HA) (resid  15 and name   HG2#) 4.0 2.2 2.0 ! 1.037971 2 THR/THR 3.02 -2.45e-002 0 0
assign (resid  15 and name    HA) (resid  16 and name    HB) 4.0 2.2 2.0 !TISPA 1.000000 5 THR/VAL 5.62 -2.62e+000 0 0
assign (resid  15 and name    HA) (resid  16 and name   HG2#) 4.0 2.2 2.0 ! 1.013030 2 THR/VAL 4.19 -1.92e-001 0 0
assign (resid  15 and name   HA)  (resid  16 and name   HN)  4.0 2.2 2.0 !THR VAL 54199.805664063
assign (resid  15 and name   HB)  (resid  15 and name   HA)  4.0 2.2 2.0 !THR THR 9905.365234375
assign (resid  15 and name    HB) (resid  15 and name   HG2#) 4.0 2.2 2.0 !F 1.000000 2 THR/THR 2.81 1.95e-001 0 0
assign (resid  15 and name   HB)  (resid  15 and name   HG2#)  4.0 2.2 2.0 !THR THR 10699.989990234
assign (resid  15 and name   HB)  (resid  15 and name   HN)  4.0 2.2 2.0 !THR THR 9992.485168457
assign (resid  15 and name    HB) (resid  16 and name   HG1#) 4.0 2.2 2.0 ! 1.080745 2 THR/VAL 6.12 -2.12e+000 0 0
assign (resid  15 and name    HB) (resid  16 and name   HG2#) 4.0 2.2 2.0 ! 0.918479 2 THR/VAL 3.09 -8.69e-002 0 0
assign (resid  15 and name   HB)  (resid  16 and name   HN)  4.0 2.2 2.0 !THR VAL 10233.224853516
assign (resid  15 and name   HG2#)  (resid  15 and name   HA)  4.0 2.2 2.0 !THR THR 528864.8125
assign (resid  15 and name   HG2#) (resid  16 and name    HB) 4.0 2.2 2.0 ! 1.063991 2 THR/VAL 6.72 -2.72e+000 0 0
assign (resid  15 and name   HG2#) (resid  16 and name   HG2#) 4.0 2.2 2.0 ! 0.997074 2 THR/VAL 5.73 -1.73e+000 0 0
assign (resid  15 and name   HG2#) (resid  16 and name    HN) 4.0 2.2 2.0 ! 1.037197 2 THR/VAL 4.52 -5.23e-001 0 0
assign (resid  15 and name   HG2#) (resid  17 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 2 THR/ASN 6.68 -2.68e+000 0 0
assign (resid  15 and name   HN)  (resid  13 and name   HA)  4.0 2.2 2.0 !THR ASN 75587.3984375
assign (resid  15 and name   HN)  (resid  15 and name   HA)  4.0 2.2 2.0 !THR THR 75412.93359375
assign (resid  15 and name   HN)  (resid  15 and name   HG2#)  4.0 2.2 2.0 !THR THR 76365.376953125
assign (resid  15 and name    HN) (resid  15 and name   HG2#) 4.0 2.2 2.0 ! 1.017275 2 THR/THR 3.34 6.57e-001 0 0
assign (resid  15 and name   HN)  (resid  16 and name   HN)  4.0 2.2 2.0 !THR VAL 76006.20703125
assign (resid  15 and name    HN) (resid  16 and name    HN) 4.0 2.2 2.0 !T 1.096668 5 THR/VAL 3.14 -1.14e+000 0 0
assign (resid  16 and name   HA)  (resid  16 and name   HB)  4.0 2.2 2.0 !VAL VAL 88934.13671875
assign (resid  16 and name    HA) (resid  16 and name    HB) 4.0 2.2 2.0 ! 1.084888 5 VAL/VAL 3.02 -2.24e-002 0 0
assign (resid  16 and name   HA)  (resid  16 and name   HG2#)  4.0 2.2 2.0 !VAL VAL 88690.90625
assign (resid  16 and name   HA)  (resid  16 and name   HN)  4.0 2.2 2.0 !VAL VAL 88855.88671875
assign (resid  16 and name    HA) (resid  17 and name   HD21) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ASN 6.21 -2.21e+000 0 0
!assign (resid  16 and name    HA) (resid  19 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ILE 6.03 -3.03e+000 0 0
assign (resid  16 and name    HA) (resid  19 and name    HB) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ILE 5.65 -2.65e+000 0 0
assign (resid  16 and name    HA) (resid  20 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ILE 6.55 -2.55e+000 0 0
assign (resid  16 and name    HB) (resid  16 and name   HG2#) 4.0 2.2 2.0 !F 1.000000 2 VAL/VAL 2.82 1.78e-001 0 0
assign (resid  16 and name    HB) (resid  17 and name    HA) 4.0 2.2 2.0 !T 1.085130 5 VAL/ASN 4.59 -5.90e-001 0 0
assign (resid  16 and name    HB) (resid  17 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ASN 4.31 -1.31e+000 0 0
assign (resid  16 and name    HB) (resid  18 and name    HD1) 4.0 2.2 2.0 !T 1.041292 5 VAL/PRO 6.54 -2.54e+000 0 0
assign (resid  16 and name    HB) (resid  26 and name    HD1) 4.0 2.2 2.0 !T 1.081716 5 VAL/LYS 6.30 -2.30e+000 0 0
assign (resid  16 and name    HB) (resid  26 and name    HD2) 4.0 2.2 2.0 !T 1.095997 5 VAL/LYS 5.31 -1.31e+000 0 0
assign (resid  16 and name    HB) (resid  26 and name    HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/LYS 6.07 -2.07e+000 0 0
assign (resid  16 and name    HB) (resid  29 and name    HD1) 4.0 2.2 2.0 !T 1.089156 5 VAL/ARG 6.10 -2.10e+000 0 0
assign (resid  16 and name   HG1#)  (resid  16 and name   HA)  4.0 2.2 2.0 !VAL VAL 48096.48046875
assign (resid  16 and name   HG1#)  (resid  16 and name   HB)  4.0 2.2 2.0 !VAL VAL 48268.2890625
assign (resid  16 and name   HG1#)  (resid  16 and name   HN)  4.0 2.2 2.0 !VAL VAL 48188.384765625
assign (resid  16 and name   HG1#) (resid  17 and name    HN) 4.0 2.2 2.0 !T 1.097708 2 VAL/ASN 5.11 -1.11e+000 0 0
assign (resid  16 and name   HG2#)  (resid  16 and name   HB)  4.0 2.2 2.0 !VAL VAL 157977.6796875
assign (resid  16 and name   HG2#)  (resid  16 and name   HN)  4.0 2.2 2.0 !VAL VAL 157497.578125
assign (resid  16 and name   HG2#) (resid  17 and name    HA) 4.0 2.2 2.0 !T 1.094597 2 VAL/ASN 6.75 -2.75e+000 0 0
assign (resid  16 and name   HG2#) (resid  17 and name    HN) 4.0 2.2 2.0 !T 1.077528 2 VAL/ASN 5.37 -1.37e+000 0 0
assign (resid  16 and name   HG2#) (resid  26 and name    HE1) 4.0 2.2 2.0 !TB 1.097057 2 VAL/LYS 6.83 -2.83e+000 0 2
assign (resid  16 and name   HG2#) (resid  26 and name    HE2) 4.0 2.2 2.0 !TB 1.097057 2 VAL/LYS 7.66 -3.66e+000 0 2
assign (resid  16 and name   HN)  (resid  15 and name   HG2#)  4.0 2.2 2.0 !VAL THR 215685.3046875
assign (resid  16 and name    HN) (resid  16 and name    HB) 4.0 2.2 2.0 ! 1.094818 5 VAL/VAL 3.04 -3.50e-002 0 0
assign (resid  16 and name   HN)  (resid  16 and name   HB)  4.0 2.2 2.0 !VAL VAL 214778.59375
assign (resid  16 and name    HN) (resid  16 and name   HG1#) 4.0 2.2 2.0 ! 1.074822 2 VAL/VAL 4.96 -9.55e-001 0 0
assign (resid  16 and name    HN) (resid  16 and name   HG2#) 4.0 2.2 2.0 ! 1.035864 2 VAL/VAL 3.44 5.61e-001 0 0
!assign (resid  16 and name    HN) (resid  17 and name   HD21) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ASN 6.33 -2.33e+000 0 0
assign (resid  16 and name    HN) (resid  17 and name    HN) 4.0 2.2 2.0 !T 1.098206 5 VAL/ASN 2.76 -7.63e-001 0 0
assign (resid  16 and name    HN) (resid  18 and name    HD1) 4.0 2.2 2.0 ! 0.983736 5 VAL/PRO 4.57 -5.73e-001 0 0
assign (resid  17 and name    HA) (resid  17 and name    HB1) 4.0 2.2 2.0 !B 1.060108 5 ASN/ASN 3.01 -5.70e-003 0 2
assign (resid  17 and name    HA) (resid  17 and name    HB2) 4.0 2.2 2.0 !B 1.060108 5 ASN/ASN 2.57 -5.69e-001 0 2
assign (resid  17 and name   HA)  (resid  17 and name   HB#)  4.0 2.2 2.0 !ASN ASN 92392.140625
assign (resid  17 and name    HA) (resid  17 and name   HD21) 4.0 2.2 2.0 ! 0.931638 5 ASN/ASN 1.88 1.18e-001 0 0
assign (resid  17 and name    HA) (resid  17 and name   HD22) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 3.29 7.08e-001 0 0
assign (resid  17 and name    HA) (resid  18 and name    HG1) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/PRO 6.15 -2.15e+000 0 0
assign (resid  17 and name    HA) (resid  19 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ILE 6.35 -2.35e+000 0 0
assign (resid  17 and name    HA) (resid  19 and name    HB) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ILE 5.78 -1.78e+000 0 0
assign (resid  17 and name    HA) (resid  20 and name    HN) 4.0 2.2 2.0 ! 1.081784 5 ASN/ILE 4.91 -9.11e-001 0 0
assign (resid  17 and name    HA) (resid  21 and name    HN) 4.0 2.2 2.0 ! 1.017323 5 ASN/TYR 4.40 -3.96e-001 0 0
assign (resid  17 and name    HB1) (resid  18 and name    HG1) 4.0 2.2 2.0 !A 0.944709 5 ASN/PRO 4.48 -4.75e-001 2 0
assign (resid  17 and name    HB2) (resid  18 and name    HG1) 4.0 2.2 2.0 !A 0.944709 5 ASN/PRO 5.84 -1.84e+000 2 0
assign (resid  17 and name   HB#)  (resid  17 and name   HD22)  4.0 2.2 2.0 !ASN ASN 105152.98828125
assign (resid  17 and name   HD21)  (resid  13 and name   HA)  4.0 2.2 2.0 !ASN ASN 32950.419921875
assign (resid  17 and name   HD21)  (resid  16 and name   HA)  4.0 2.2 2.0 !ASN VAL 32760.629882813
assign (resid  17 and name   HD21)  (resid  17 and name   HA)  4.0 2.2 2.0 !ASN ASN 32854.190429688
assign (resid  17 and name   HD21)  (resid  17 and name   HB#)  4.0 2.2 2.0 !ASN ASN 32855.86529541
assign (resid  17 and name   HD21)  (resid  17 and name   HD22)  4.0 2.2 2.0 !ASN ASN 33587.220703125
assign (resid  17 and name   HD21) (resid  17 and name   HD22) 4.0 2.2 2.0 !F 1.000000 5 ASN/ASN 1.78 2.20e-001 0 0
assign (resid  17 and name   HD21)  (resid  17 and name   HN)  4.0 2.2 2.0 !ASN ASN 32566.74609375
!assign (resid  17 and name   HD21)  (resid  19 and name   HA)  4.0 2.2 2.0 !ASN ILE 32916.594360352
assign (resid  17 and name   HD21) (resid  19 and name    HB) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ILE 6.26 -2.26e+000 0 0
assign (resid  17 and name   HD21)  (resid  20 and name   HD1#)  4.0 2.2 2.0 !ASN ILE 33639.899414063
assign (resid  17 and name   HD21) (resid  21 and name    HA) 4.0 2.2 2.0 ! 1.036853 5 ASN/TYR 5.32 -1.32e+000 0 0
assign (resid  17 and name   HD21) (resid  21 and name    HB1) 4.0 2.2 2.0 !B 0.912091 5 ASN/TYR 4.33 -3.29e-001 0 2
assign (resid  17 and name   HD21) (resid  21 and name    HB2) 4.0 2.2 2.0 !B 0.912091 5 ASN/TYR 2.83 1.71e-001 0 2
assign (resid  17 and name   HD21)  (resid  23 and name   HD1#)  4.0 2.2 2.0 !ASN LEU 33864.245452881
assign (resid  17 and name   HD21) (resid  23 and name    HG) 4.0 2.2 2.0 !T 1.098237 5 ASN/LEU 5.21 -1.21e+000 0 0
assign (resid  17 and name   HD21) (resid  23 and name    HN) 4.0 2.2 2.0 ! 0.973401 5 ASN/LEU 4.35 -3.51e-001 0 0
assign (resid  17 and name   HD21) (resid  26 and name    HG1) 4.0 2.2 2.0 ! 1.007701 5 ASN/LYS 5.03 -1.03e+000 0 0
assign (resid  17 and name   HD22)  (resid  17 and name   HA)  4.0 2.2 2.0 !ASN ASN 128584.10546875
assign (resid  17 and name   HD22)  (resid  19 and name   HD1#)  4.0 2.2 2.0 !ASN ILE 130109.73828125
assign (resid  17 and name   HD22) (resid  21 and name    HB1) 4.0 2.2 2.0 !TB 0.903479 5 ASN/TYR 4.01 -1.10e-002 0 2
assign (resid  17 and name   HD22) (resid  21 and name    HB2) 4.0 2.2 2.0 !TB 0.903479 5 ASN/TYR 3.11 8.88e-001 0 2
assign (resid  17 and name   HD22) (resid  23 and name    HG) 4.0 2.2 2.0 ! 0.994020 5 ASN/LEU 4.18 -1.81e-001 0 0
assign (resid  17 and name   HD22) (resid  26 and name    HG1) 4.0 2.2 2.0 ! 0.948667 5 ASN/LYS 4.17 -1.74e-001 0 0
assign (resid  17 and name   HN)  (resid  13 and name   HA)  4.0 2.2 2.0 !ASN ASN 2999.3701171875
assign (resid  17 and name   HN)  (resid  15 and name   HG2#)  4.0 2.2 2.0 !ASN THR 3769.0201416016
assign (resid  17 and name   HN)  (resid  16 and name   HA)  4.0 2.2 2.0 !ASN VAL 2230.5200195313
assign (resid  17 and name   HN)  (resid  16 and name   HB)  4.0 2.2 2.0 !ASN VAL 3723.6999511719
assign (resid  17 and name   HN)  (resid  16 and name   HG1#)  4.0 2.2 2.0 !ASN VAL 1986.950012207
assign (resid  17 and name   HN)  (resid  16 and name   HG2#)  4.0 2.2 2.0 !ASN VAL 3613.7700195313
assign (resid  17 and name   HN)  (resid  17 and name   HA)  4.0 2.2 2.0 !ASN ASN 2265.8000488281
assign (resid  17 and name    HN) (resid  17 and name    HB1) 4.0 2.2 2.0 !B 1.070641 5 ASN/ASN 2.86 1.43e-001 0 2
assign (resid  17 and name    HN) (resid  17 and name    HB2) 4.0 2.2 2.0 !B 1.070641 5 ASN/ASN 2.91 8.67e-002 0 2
assign (resid  17 and name   HN)  (resid  17 and name   HB#)  4.0 2.2 2.0 !ASN ASN 2943.3400878906
assign (resid  17 and name    HN) (resid  17 and name   HD21) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 4.39 -1.39e+000 0 0
assign (resid  17 and name   HN)  (resid  17 and name   HD22)  4.0 2.2 2.0 !ASN ASN 3327.0950927734
assign (resid  17 and name    HN) (resid  17 and name   HD22) 4.0 2.2 2.0 !T 1.080408 5 ASN/ASN 5.77 -1.77e+000 0 0
assign (resid  17 and name    HN) (resid  20 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ILE 6.43 -4.43e+000 0 0
assign (resid  17 and name    HN) (resid  21 and name    HD#) 4.0 2.2 2.0 !TB 1.094036 1 ASN/TYR 6.72 -2.72e+000 0 0
assign (resid  18 and name   HA)  (resid  18 and name   HD1)  4.0 2.2 2.0 !PRO PRO 105250.88671875
assign (resid  18 and name    HA) (resid  18 and name    HG1) 4.0 2.2 2.0 ! 0.953086 5 PRO/PRO 4.02 -1.73e-002 0 0
assign (resid  18 and name   HA)  (resid  18 and name   HG1)  4.0 2.2 2.0 !PRO PRO 105929.91015625
assign (resid  18 and name   HA)  (resid  18 and name   HG2)  4.0 2.2 2.0 !PRO PRO 105595.4296875
assign (resid  18 and name    HA) (resid  19 and name    HB) 4.0 2.2 2.0 !TISPA 1.000000 5 PRO/ILE 6.20 -2.20e+000 0 0
assign (resid  18 and name    HA) (resid  19 and name   HD1#) 4.0 2.2 2.0 ! 1.095404 2 PRO/ILE 4.98 -9.83e-001 0 0
assign (resid  18 and name    HB1) (resid  18 and name    HG1) 4.0 2.2 2.0 !TA 0.903303 5 PRO/PRO 2.30 6.97e-001 2 0
assign (resid  18 and name    HB1) (resid  18 and name    HG2) 4.0 2.2 2.0 !A 1.037047 5 PRO/PRO 2.98 1.91e-002 2 0
assign (resid  18 and name    HB1) (resid  19 and name   HD1#) 4.0 2.2 2.0 !A 1.005444 2 PRO/ILE 6.85 -2.85e+000 2 0
assign (resid  18 and name    HB2) (resid  18 and name    HG1) 4.0 2.2 2.0 !TA 0.903303 5 PRO/PRO 2.68 3.20e-001 2 0
assign (resid  18 and name    HB2) (resid  18 and name    HG2) 4.0 2.2 2.0 !A 1.037047 5 PRO/PRO 2.31 -3.08e-001 2 0
assign (resid  18 and name    HB2) (resid  19 and name    HB) 4.0 2.2 2.0 !TA 1.072714 5 PRO/ILE 6.87 -2.87e+000 2 0
assign (resid  18 and name    HB2) (resid  19 and name   HD1#) 4.0 2.2 2.0 !A 1.005444 2 PRO/ILE 6.64 -2.64e+000 2 0
assign (resid  18 and name   HB#)  (resid  18 and name   HA)  4.0 2.2 2.0 !PRO PRO 4143.73487854
assign (resid  18 and name   HB#)  (resid  18 and name   HD1)  4.0 2.2 2.0 !PRO PRO 3791.919921875
assign (resid  18 and name   HB#)  (resid  18 and name   HD2)  4.0 2.2 2.0 !PRO PRO 4120.3000488281
assign (resid  18 and name   HB#)  (resid  18 and name   HG1)  4.0 2.2 2.0 !PRO PRO 4541.7802734375
assign (resid  18 and name   HD1)  (resid  18 and name   HD2)  4.0 2.2 2.0 !PRO PRO 28145.319335938
assign (resid  18 and name   HD2)  (resid  18 and name   HA)  4.0 2.2 2.0 !PRO PRO 39964.559570313
assign (resid  18 and name   HD2)  (resid  18 and name   HG1)  4.0 2.2 2.0 !PRO PRO 40309.533203125
assign (resid  18 and name   HD2)  (resid  18 and name   HG2)  4.0 2.2 2.0 !PRO PRO 40079.304199219
assign (resid  18 and name   HD2)  (resid  19 and name   HN)  4.0 2.2 2.0 !PRO ILE 39802.1796875
assign (resid  18 and name   HG1)  (resid  18 and name   HD1)  4.0 2.2 2.0 !PRO PRO 209461.265625
assign (resid  18 and name    HG1) (resid  18 and name    HD2) 4.0 2.2 2.0 !TISPA 1.000000 5 PRO/PRO 2.76 1.24e+000 0 0
assign (resid  18 and name   HG2)  (resid  18 and name   HB#)  4.0 2.2 2.0 !PRO PRO 113845.61328125
assign (resid  18 and name    HG2) (resid  18 and name    HD2) 4.0 2.2 2.0 !T 0.907016 5 PRO/PRO 2.30 6.98e-001 0 0
assign (resid  18 and name   HG2)  (resid  18 and name   HG1)  4.0 2.2 2.0 !PRO PRO 114710.140625
assign (resid  18 and name    HG2) (resid  18 and name    HG1) 4.0 2.2 2.0 !F 1.000000 5 PRO/PRO 1.78 2.20e-001 0 0
assign (resid  18 and name    HG2) (resid  19 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PRO/ILE 4.48 -2.48e+000 0 0
assign (resid  19 and name   HA)  (resid  19 and name   HB)  4.0 2.2 2.0 !ILE ILE 112577.51171875
assign (resid  19 and name    HA) (resid  19 and name    HB) 4.0 2.2 2.0 !TISPA 1.000000 5 ILE/ILE 2.82 -8.24e-001 0 0
assign (resid  19 and name   HA)  (resid  19 and name   HD1#)  4.0 2.2 2.0 !ILE ILE 113006.19921875
assign (resid  19 and name    HA) (resid  19 and name   HG11) 4.0 2.2 2.0 !TISPA 1.000000 5 ILE/ILE 3.34 -1.34e+000 0 0
assign (resid  19 and name   HA)  (resid  19 and name   HG1#)  4.0 2.2 2.0 !ILE ILE 112488.86328125
assign (resid  19 and name    HA) (resid  20 and name    HN) 4.0 2.2 2.0 !T 1.091268 5 ILE/ILE 3.61 3.88e-001 0 0
assign (resid  19 and name   HB)  (resid  19 and name   HD1#)  4.0 2.2 2.0 !ILE ILE 133098.44921875
assign (resid  19 and name    HB) (resid  19 and name   HG11) 4.0 2.2 2.0 ! 1.059980 5 ILE/ILE 3.03 -3.38e-002 0 0
assign (resid  19 and name    HB) (resid  20 and name   HG11) 4.0 2.2 2.0 !T 0.905597 5 ILE/ILE 2.29 -2.90e-001 0 0
assign (resid  19 and name    HB) (resid  20 and name    HN) 4.0 2.2 2.0 ! 1.043798 5 ILE/ILE 2.29 -2.89e-001 0 0
assign (resid  19 and name   HG1#)  (resid  19 and name   HB)  4.0 2.2 2.0 !ILE ILE 123041.6796875
assign (resid  19 and name   HG1#)  (resid  19 and name   HD1#)  4.0 2.2 2.0 !ILE ILE 124439.62109375
assign (resid  19 and name   HG1#)  (resid  21 and name   HE#)  4.0 2.2 2.0 !ILE TYR 123391.18359375
assign (resid  19 and name   HN)  (resid  18 and name   HG1)  4.0 2.2 2.0 !ILE PRO 65723.833984375
assign (resid  19 and name   HN)  (resid  19 and name   HA)  4.0 2.2 2.0 !ILE ILE 65145.9453125
assign (resid  19 and name    HN) (resid  19 and name    HA) 4.0 2.2 2.0 !T 1.084570 5 ILE/ILE 2.92 -9.19e-001 0 0
assign (resid  19 and name   HN)  (resid  19 and name   HB)  4.0 2.2 2.0 !ILE ILE 65412.91015625
assign (resid  19 and name   HN)  (resid  19 and name   HD1#)  4.0 2.2 2.0 !ILE ILE 65879.449462891
assign (resid  19 and name   HN)  (resid  19 and name   HG1#)  4.0 2.2 2.0 !ILE ILE 65408.869140625
assign (resid  19 and name    HN) (resid  20 and name    HN) 4.0 2.2 2.0 !T 1.099973 5 ILE/ILE 3.00 -4.59e-003 0 0
assign (resid  19 and name    HN) (resid  21 and name    HD#) 4.0 2.2 2.0 !B 0.981575 1 ILE/TYR 5.38 -1.38e+000 0 0
assign (resid  19 and name    HN) (resid  21 and name    HN) 4.0 2.2 2.0 ! 1.014143 5 ILE/TYR 3.68 3.23e-001 0 0
assign (resid   1 and name    HA) (resid   1 and name    HB) 4.0 2.2 2.0 ! 0.970775 5 THR/THR 3.02 -2.42e-002 0 0
assign (resid   1 and name    HA) (resid   1 and name   HG2#) 4.0 2.2 2.0 ! 1.004069 2 THR/THR 2.92 8.06e-002 0 0
assign (resid  1 and name   HA)  (resid  2 and name   HN)  4.0 2.2 2.0 !THR VAL 101170.36328125
assign (resid   1 and name    HA) (resid   2 and name    HN) 4.0 2.2 2.0 ! 1.017496 5 THR/VAL 2.48 -4.78e-001 0 0
assign (resid   1 and name    HA) (resid   3 and name    HB1) 4.0 2.2 2.0 !T 1.068896 5 THR/PHE 5.78 -1.78e+000 0 0
assign (resid   1 and name    HA) (resid   3 and name    HB2) 4.0 2.2 2.0 ! 1.056054 5 THR/PHE 6.26 -2.26e+000 0 0
assign (resid   1 and name    HA) (resid   3 and name    HD#) 4.0 2.2 2.0 !TB 1.082726 1 THR/PHE 8.12 -4.12e+000 0 0
assign (resid   1 and name    HA) (resid   3 and name    HN) 4.0 2.2 2.0 !T 1.099757 5 THR/PHE 4.18 -1.18e+000 0 0
assign (resid  1 and name   HA)  (resid  3 and name   HN)  4.0 2.2 2.0 !THR PHE 101451.7109375
assign (resid   1 and name    HA) (resid   4 and name    HN) 4.0 2.2 2.0 !T 1.095903 5 THR/ALA 5.04 -1.04e+000 0 0
assign (resid   1 and name    HB) (resid   1 and name   HG2#) 4.0 2.2 2.0 !F 1.000000 2 THR/THR 2.82 1.83e-001 0 0
assign (resid  1 and name   HB)  (resid  2 and name   HN)  4.0 2.2 2.0 !THR VAL 100869.2421875
assign (resid   1 and name    HB) (resid   4 and name    HB#) 4.0 2.2 2.0 ! 0.968850 2 THR/ALA 4.61 -6.13e-001 0 0
assign (resid  1 and name   HG2#)  (resid  1 and name   HA)  4.0 2.2 2.0 !THR THR 71321.478759766
assign (resid  1 and name   HG2#)  (resid  1 and name   HB)  4.0 2.2 2.0 !THR THR 70356.96484375
assign (resid   1 and name   HG2#) (resid   2 and name    HA) 4.0 2.2 2.0 ! 1.023084 2 THR/VAL 5.11 -1.11e+000 0 0
assign (resid  1 and name   HG2#)  (resid  2 and name   HN)  4.0 2.2 2.0 !THR VAL 72071.109375
assign (resid   1 and name   HG2#) (resid   2 and name    HN) 4.0 2.2 2.0 !T 0.903727 2 THR/VAL 2.45 1.55e+000 0 0
assign (resid   1 and name   HG2#) (resid   3 and name    HA) 4.0 2.2 2.0 ! 1.035732 2 THR/PHE 5.99 -1.99e+000 0 0
assign (resid   1 and name   HG2#) (resid   3 and name    HD#) 4.0 2.2 2.0 !BISPAC 1.000000 2 THR/PHE 7.37 -3.37e+000 0 0
assign (resid  1 and name   HG2#)  (resid  3 and name   HN)  4.0 2.2 2.0 !THR PHE 72179.54296875
assign (resid   1 and name   HG2#) (resid   3 and name    HN) 4.0 2.2 2.0 !T 0.903076 2 THR/PHE 3.10 9.03e-001 0 0
assign (resid   1 and name   HG2#) (resid   4 and name    HB#) 4.0 2.2 2.0 !TISPA 1.000000 2 THR/ALA 7.11 -4.11e+000 0 0
assign (resid   1 and name   HG2#) (resid   4 and name    HN) 4.0 2.2 2.0 ! 0.959483 2 THR/ALA 5.19 -1.19e+000 0 0
assign (resid  20 and name   HA)  (resid  20 and name   HB)  4.0 2.2 2.0 !ILE ILE 31286.024414063
assign (resid  20 and name   HA)  (resid  20 and name   HD1#)  4.0 2.2 2.0 !ILE ILE 31269.555664063
assign (resid  20 and name   HA)  (resid  21 and name   HN)  4.0 2.2 2.0 !ILE TYR 31218.134399414
assign (resid  20 and name    HB) (resid  21 and name    HB1) 4.0 2.2 2.0 !TBISPA 1.000000 5 ILE/TYR 6.57 -2.57e+000 0 2
assign (resid  20 and name    HB) (resid  21 and name    HB2) 4.0 2.2 2.0 !TBISPA 1.000000 5 ILE/TYR 6.30 -2.30e+000 0 2
assign (resid  20 and name   HD1#)  (resid  20 and name   HB)  4.0 2.2 2.0 !ILE ILE 133823.0859375
assign (resid  20 and name   HD1#) (resid  21 and name    HN) 4.0 2.2 2.0 ! 0.985582 2 ILE/TYR 3.04 -3.98e-002 0 0
assign (resid  20 and name   HG11) (resid  21 and name    HN) 4.0 2.2 2.0 ! 0.939413 5 ILE/TYR 3.66 3.36e-001 0 0
assign (resid  20 and name   HG1#)  (resid  20 and name   HA)  4.0 2.2 2.0 !ILE ILE 27918.835449219
assign (resid  20 and name   HG1#)  (resid  20 and name   HB)  4.0 2.2 2.0 !ILE ILE 28038.039550781
assign (resid  20 and name   HG1#)  (resid  20 and name   HD1#)  4.0 2.2 2.0 !ILE ILE 28008.9296875
assign (resid  20 and name   HN)  (resid  16 and name   HA)  4.0 2.2 2.0 !ILE VAL 25304.099609375
assign (resid  20 and name   HN)  (resid  17 and name   HA)  4.0 2.2 2.0 !ILE ASN 25322.94921875
assign (resid  20 and name   HN)  (resid  19 and name   HA)  4.0 2.2 2.0 !ILE ILE 25447.655761719
assign (resid  20 and name   HN)  (resid  19 and name   HB)  4.0 2.2 2.0 !ILE ILE 25481.955078125
assign (resid  20 and name   HN)  (resid  19 and name   HD1#)  4.0 2.2 2.0 !ILE ILE 27228.825195313
assign (resid  20 and name   HN)  (resid  19 and name   HN)  4.0 2.2 2.0 !ILE ILE 25097.0546875
assign (resid  20 and name   HN)  (resid  20 and name   HA)  4.0 2.2 2.0 !ILE ILE 23888.900634766
assign (resid  20 and name   HN)  (resid  20 and name   HB)  4.0 2.2 2.0 !ILE ILE 27010.58984375
assign (resid  20 and name   HN)  (resid  20 and name   HD1#)  4.0 2.2 2.0 !ILE ILE 26027.83984375
assign (resid  20 and name    HN) (resid  20 and name   HG11) 4.0 2.2 2.0 ! 1.024116 5 ILE/ILE 2.33 -3.32e-001 0 0
assign (resid  20 and name   HN)  (resid  20 and name   HG1#)  4.0 2.2 2.0 !ILE ILE 23764.665039063
assign (resid  20 and name    HN) (resid  21 and name    HA) 4.0 2.2 2.0 ! 1.046468 5 ILE/TYR 4.54 -5.35e-001 0 0
assign (resid  20 and name    HN) (resid  21 and name    HB1) 4.0 2.2 2.0 !B 1.046245 5 ILE/TYR 5.39 -1.39e+000 0 2
assign (resid  20 and name    HN) (resid  21 and name    HB2) 4.0 2.2 2.0 !B 1.046245 5 ILE/TYR 4.14 -1.39e-001 0 2
assign (resid  20 and name    HN) (resid  21 and name    HD#) 4.0 2.2 2.0 !B 0.933554 1 ILE/TYR 4.29 -2.94e-001 0 0
assign (resid  20 and name    HN) (resid  21 and name    HN) 4.0 2.2 2.0 ! 1.000508 5 ILE/TYR 1.82 1.79e-001 0 0
assign (resid  20 and name   HN)  (resid  21 and name   HN)  4.0 2.2 2.0 !ILE TYR 24618.204589844
assign (resid  20 and name    HN) (resid  22 and name    HN) 4.0 2.2 2.0 ! 0.955774 5 ILE/ALA 3.67 3.34e-001 0 0
assign (resid  20 and name   HN)  (resid  22 and name   HN)  4.0 2.2 2.0 !ILE ALA 24965.104431152
assign (resid  21 and name    HA) (resid  21 and name    HD#) 4.0 2.2 2.0 !B 0.930396 1 TYR/TYR 2.54 -5.45e-001 0 0
assign (resid  21 and name    HA) (resid  21 and name    HE#) 4.0 2.2 2.0 !B 0.915611 1 TYR/TYR 4.98 -9.76e-001 0 0
assign (resid  21 and name    HA) (resid  22 and name    HN) 4.0 2.2 2.0 !T 1.099615 5 TYR/ALA 3.53 -5.28e-001 0 0
assign (resid  21 and name    HA) (resid  26 and name    HE1) 4.0 2.2 2.0 !B 1.001338 5 TYR/LYS 6.59 -2.59e+000 0 2
assign (resid  21 and name    HA) (resid  26 and name    HE2) 4.0 2.2 2.0 !B 1.001338 5 TYR/LYS 5.97 -1.97e+000 0 2
assign (resid  21 and name    HA) (resid  26 and name    HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 TYR/LYS 7.51 -4.51e+000 0 0
assign (resid  21 and name    HA) (resid  26 and name    HN) 4.0 2.2 2.0 ! 1.011950 5 TYR/LYS 4.10 -9.66e-002 0 0
assign (resid  21 and name    HB1) (resid  21 and name    HD#) 4.0 2.2 2.0 !AB 1.031307 1 TYR/TYR 2.98 1.76e-002 2 0
assign (resid  21 and name    HB1) (resid  21 and name    HE#) 4.0 2.2 2.0 !AB 1.026697 1 TYR/TYR 5.05 -1.05e+000 2 0
assign (resid  21 and name    HB1) (resid  26 and name    HD2) 4.0 2.2 2.0 !A 1.002281 5 TYR/LYS 6.26 -2.26e+000 2 0
assign (resid  21 and name    HB1) (resid  30 and name    HD2) 4.0 2.2 2.0 !TA 1.099872 5 TYR/HIS 7.48 -3.48e+000 2 0
assign (resid  21 and name    HB2) (resid  21 and name    HD#) 4.0 2.2 2.0 !AB 1.031307 1 TYR/TYR 2.58 -5.82e-001 2 0
assign (resid  21 and name    HB2) (resid  21 and name    HE#) 4.0 2.2 2.0 !AB 1.026697 1 TYR/TYR 4.96 -9.63e-001 2 0
assign (resid  21 and name    HB2) (resid  26 and name    HD2) 4.0 2.2 2.0 !A 1.002281 5 TYR/LYS 5.73 -1.73e+000 2 0
!assign (resid  21 and name    HB2) (resid  29 and name    HD2) 4.0 2.2 2.0 !TAISPA 1.000000 5 TYR/ARG 5.42 -2.42e+000 2 0
assign (resid  21 and name    HB2) (resid  30 and name    HD2) 4.0 2.2 2.0 !TA 1.099872 5 TYR/HIS 7.60 -3.60e+000 2 0
assign (resid  21 and name   HB#)  (resid  21 and name   HA)  4.0 2.2 2.0 !TYR TYR 29396.399414063
assign (resid  21 and name   HB#)  (resid  21 and name   HD#)  4.0 2.2 2.0 !TYR TYR 28985.994628906
assign (resid  21 and name   HB#)  (resid  21 and name   HE#)  4.0 2.2 2.0 !TYR TYR 29321.719726563
assign (resid  21 and name   HB#)  (resid  21 and name   HN)  4.0 2.2 2.0 !TYR TYR 28925.26953125
assign (resid  21 and name   HB#)  (resid  22 and name   HN)  4.0 2.2 2.0 !TYR ALA 28980.270507813
assign (resid  21 and name   HB#)  (resid  23 and name   HN)  4.0 2.2 2.0 !TYR LEU 29232.958984375
!assign (resid  21 and name   HB#)  (resid  24 and name   HA)  4.0 2.2 2.0 !TYR ARG 29834.674804688
assign (resid  21 and name   HD#)  (resid  19 and name   HD1#)  4.0 2.2 2.0 !TYR ILE 91089.97265625
assign (resid  21 and name   HD#)  (resid  21 and name   HA)  4.0 2.2 2.0 !TYR TYR 90400.738769531
assign (resid  21 and name   HD#)  (resid  21 and name   HE#)  4.0 2.2 2.0 !TYR TYR 89327.216796875
assign (resid  21 and name    HD#) (resid  21 and name    HE#) 4.0 2.2 2.0 !FAB 1.000000 1 TYR/TYR 2.78 2.20e-001 0 0
assign (resid  21 and name   HE#)  (resid  19 and name   HD1#)  4.0 2.2 2.0 !TYR ILE 145248.328125
assign (resid  21 and name   HE#)  (resid  21 and name   HA)  4.0 2.2 2.0 !TYR TYR 144864.71484375
assign (resid  21 and name   HE#)  (resid  29 and name   HA)  4.0 2.2 2.0 !TYR ARG 144229.01269531
assign (resid  21 and name   HN)  (resid  19 and name   HA)  4.0 2.2 2.0 !TYR ILE 52742.370315552
assign (resid  21 and name   HN)  (resid  19 and name   HN)  4.0 2.2 2.0 !TYR ILE 52419.8359375
assign (resid  21 and name   HN)  (resid  20 and name   HB)  4.0 2.2 2.0 !TYR ILE 53818.240234375
assign (resid  21 and name   HN)  (resid  20 and name   HD1#)  4.0 2.2 2.0 !TYR ILE 53153.524230957
assign (resid  21 and name   HN)  (resid  21 and name   HA)  4.0 2.2 2.0 !TYR TYR 53814.143554688
assign (resid  21 and name   HN)  (resid  21 and name   HD#)  4.0 2.2 2.0 !TYR TYR 52706.421875
assign (resid  21 and name   HN)  (resid  21 and name   HE#)  4.0 2.2 2.0 !TYR TYR 53663.98046875
assign (resid  21 and name   HN)  (resid  23 and name   HN)  4.0 2.2 2.0 !TYR LEU 53157.660797119
assign (resid  22 and name   HA)  (resid  24 and name   HN)  4.0 2.2 2.0 !ALA ARG 248632.1328125
!assign (resid  22 and name   HB#)  (resid  21 and name   HD#)  4.0 2.2 2.0 !ALA TYR 13963.835449219
assign (resid  22 and name   HB#)  (resid  22 and name   HA)  4.0 2.2 2.0 !ALA ALA 14100.224609375
assign (resid  22 and name   HB#)  (resid  22 and name   HN)  4.0 2.2 2.0 !ALA ALA 13625.580078125
assign (resid  22 and name   HN)  (resid  19 and name   HA)  4.0 2.2 2.0 !ALA ILE 57971.12890625
assign (resid  22 and name   HN)  (resid  19 and name   HN)  4.0 2.2 2.0 !ALA ILE 57186.19140625
assign (resid  22 and name   HN)  (resid  20 and name   HD1#)  4.0 2.2 2.0 !ALA ILE 58767.716552734
assign (resid  22 and name   HN)  (resid  21 and name   HA)  4.0 2.2 2.0 !ALA TYR 59703.5
assign (resid  22 and name   HN)  (resid  21 and name   HD#)  4.0 2.2 2.0 !ALA TYR 57410.951049805
assign (resid  22 and name   HN)  (resid  22 and name   HA)  4.0 2.2 2.0 !ALA ALA 59754.5
assign (resid  22 and name    HN) (resid  23 and name    HG) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/LEU 6.59 -2.59e+000 0 0
assign (resid  22 and name   HN)  (resid  23 and name   HN)  4.0 2.2 2.0 !ALA LEU 59358.26953125
assign (resid  22 and name    HN) (resid  23 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/LEU 4.38 -1.38e+000 0 0
assign (resid  22 and name    HN) (resid  24 and name    HN) 4.0 2.2 2.0 !T 1.096352 5 ALA/ARG 4.78 -7.81e-001 0 0
assign (resid  23 and name   HA)  (resid  23 and name   HD1#)  4.0 2.2 2.0 !LEU LEU 156108.1574707
assign (resid  23 and name    HA) (resid  23 and name    HG) 4.0 2.2 2.0 ! 1.037693 5 LEU/LEU 2.30 -3.01e-001 0 0
assign (resid  23 and name   HB1)  (resid  23 and name   HA)  4.0 2.2 2.0 !LEU LEU 34474.270507813
assign (resid  23 and name   HB1)  (resid  23 and name   HB2)  4.0 2.2 2.0 !LEU LEU 34569.330078125
assign (resid  23 and name   HB1)  (resid  23 and name   HD1#)  4.0 2.2 2.0 !LEU LEU 34860.905273438
assign (resid  23 and name   HB1)  (resid  23 and name   HG)  4.0 2.2 2.0 !LEU LEU 33916.313964844
assign (resid  23 and name   HB1)  (resid  23 and name   HN)  4.0 2.2 2.0 !LEU LEU 34029.67578125
assign (resid  23 and name   HB2)  (resid  23 and name   HA)  4.0 2.2 2.0 !LEU LEU 400427.796875
assign (resid  23 and name   HB2)  (resid  23 and name   HD1#)  4.0 2.2 2.0 !LEU LEU 421070.171875
assign (resid  23 and name    HB2) (resid  23 and name    HG) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/LEU 3.02 -1.02e+000 0 0
assign (resid  23 and name   HD1#) (resid  24 and name    HN) 4.0 2.2 2.0 ! 1.005409 2 LEU/ARG 5.04 -1.04e+000 0 0
assign (resid  23 and name   HD1#)  (resid  24 and name   HN)  4.0 2.2 2.0 !LEU ARG 550547.375
assign (resid  23 and name   HD2#)  (resid  23 and name   HA)  4.0 2.2 2.0 !LEU LEU 8515.7501220703
assign (resid  23 and name   HD2#)  (resid  23 and name   HB1)  4.0 2.2 2.0 !LEU LEU 7128.9799804688
assign (resid  23 and name   HD2#)  (resid  23 and name   HB2)  4.0 2.2 2.0 !LEU LEU 8631.75
assign (resid  23 and name   HD2#)  (resid  23 and name   HG)  4.0 2.2 2.0 !LEU LEU 7824.3999023438
assign (resid  23 and name   HD2#)  (resid  23 and name   HN)  4.0 2.2 2.0 !LEU LEU 8018.7099609375
assign (resid  23 and name   HD2#) (resid  24 and name    HN) 4.0 2.2 2.0 ! 1.083019 2 LEU/ARG 6.46 -2.46e+000 0 0
assign (resid  23 and name   HD2#)  (resid  24 and name   HN)  4.0 2.2 2.0 !LEU ARG 9504.6747741699
assign (resid  23 and name   HG)  (resid  23 and name   HA)  4.0 2.2 2.0 !LEU LEU 78796.165039063
assign (resid  23 and name   HG)  (resid  23 and name   HD1#)  4.0 2.2 2.0 !LEU LEU 79090.152832031
assign (resid  23 and name   HG)  (resid  23 and name   HN)  4.0 2.2 2.0 !LEU LEU 77946.185546875
assign (resid  23 and name   HG)  (resid  24 and name   HN)  4.0 2.2 2.0 !LEU ARG 79190.849609375
assign (resid  23 and name    HG) (resid  24 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/ARG 5.14 -1.14e+000 0 0
assign (resid  23 and name    HG) (resid  26 and name    HG1) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/LYS 5.32 -3.32e+000 0 0
assign (resid  23 and name    HG) (resid  26 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/LYS 6.46 -2.46e+000 0 0
assign (resid  23 and name   HN)  (resid  22 and name   HA)  4.0 2.2 2.0  !LEU ALA 135627.703125
assign (resid  23 and name   HN)  (resid  23 and name   HA)  4.0 2.2 2.0 !LEU LEU 134106.265625
assign (resid  23 and name    HN) (resid  23 and name    HB2) 4.0 2.2 2.0 ! 1.047188 5 LEU/LEU 2.43 -4.29e-001 0 0
assign (resid  23 and name   HN)  (resid  23 and name   HB2)  4.0 2.2 2.0 !LEU LEU 135646.515625
assign (resid  23 and name   HN)  (resid  23 and name   HD1#)  4.0 2.2 2.0 !LEU LEU 136585.1171875
assign (resid  23 and name    HN) (resid  23 and name   HD1#) 4.0 2.2 2.0 ! 0.930576 2 LEU/LEU 2.37 -3.72e-001 0 0
assign (resid  23 and name    HN) (resid  23 and name   HD2#) 4.0 2.2 2.0 ! 0.987918 2 LEU/LEU 4.77 -7.73e-001 0 0
assign (resid  23 and name    HN) (resid  23 and name    HG) 4.0 2.2 2.0 ! 1.061480 5 LEU/LEU 3.33 6.72e-001 0 0
assign (resid  23 and name    HN) (resid  24 and name    HG2) 4.0 2.2 2.0 !B 1.055434 5 LEU/ARG 5.27 -1.27e+000 0 2
assign (resid  23 and name   HN)  (resid  24 and name   HN)  4.0 2.2 2.0 !LEU ARG 137095.71875
assign (resid  23 and name    HN) (resid  24 and name    HN) 4.0 2.2 2.0 !T 1.098150 5 LEU/ARG 2.85 1.49e-001 0 0
assign (resid  23 and name   HN)  (resid  25 and name   HN)  4.0 2.2 2.0 !LEU SER 134447.61328125
assign (resid  23 and name    HN) (resid  25 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/SER 5.59 -1.59e+000 0 0
assign (resid  23 and name    HN) (resid  26 and name    HB2) 4.0 2.2 2.0 !B 1.059960 5 LEU/LYS 5.34 -1.34e+000 0 2
assign (resid  23 and name    HN) (resid  26 and name    HG1) 4.0 2.2 2.0 !T 1.060818 5 LEU/LYS 6.48 -2.48e+000 0 0
assign (resid  23 and name    HN) (resid  27 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/ASP 5.84 -1.84e+000 0 0
assign (resid  24 and name    HA) (resid  24 and name    HG1) 4.0 2.2 2.0 !TB 0.902407 5 ARG/ARG 3.24 7.62e-001 0 2
assign (resid  24 and name    HA) (resid  24 and name    HG2) 4.0 2.2 2.0 !TB 0.902407 5 ARG/ARG 2.39 6.05e-001 0 2
assign (resid  24 and name    HB1) (resid  24 and name    HD1) 4.0 2.2 2.0 !AB 0.954388 5 ARG/ARG 2.33 -3.28e-001 2 2
assign (resid  24 and name    HB1) (resid  24 and name    HD2) 4.0 2.2 2.0 !AB 0.954388 5 ARG/ARG 2.99 1.45e-002 2 2
assign (resid  24 and name    HB2) (resid  24 and name    HD1) 4.0 2.2 2.0 !AB 0.954388 5 ARG/ARG 3.16 -1.55e-001 2 2
assign (resid  24 and name    HB2) (resid  24 and name    HD2) 4.0 2.2 2.0 !AB 0.954388 5 ARG/ARG 2.72 2.77e-001 2 2
assign (resid  24 and name    HB2) (resid  25 and name    HB1) 4.0 2.2 2.0 !A 0.935739 5 ARG/SER 3.91 8.90e-002 2 0
assign (resid  24 and name   HB#)  (resid  24 and name   HA)  4.0 2.2 2.0 !ARG ARG 177098.4140625
assign (resid  24 and name   HB#)  (resid  24 and name   HG#)  4.0 2.2 2.0 !ARG ARG 173958.1875
assign (resid  24 and name   HB#)  (resid  24 and name   HN)  4.0 2.2 2.0 !ARG ARG 175421.9453125
assign (resid  24 and name   HD#)  (resid  24 and name   HA)  4.0 2.2 2.0 !ARG ARG 23294.424804688
assign (resid  24 and name   HD#)  (resid  24 and name   HB#)  4.0 2.2 2.0 !ARG ARG 22982.815429688
assign (resid  24 and name   HD#)  (resid  24 and name   HG#)  4.0 2.2 2.0 !ARG ARG 23040.145507813
assign (resid  24 and name   HD#)  (resid  24 and name   HN)  4.0 2.2 2.0 !ARG ARG 23138.090332031
assign (resid  24 and name    HG1) (resid  24 and name    HD1) 4.0 2.2 2.0 !AB 0.904639 5 ARG/ARG 3.03 -3.21e-002 2 2
assign (resid  24 and name    HG1) (resid  24 and name    HD2) 4.0 2.2 2.0 !AB 0.904639 5 ARG/ARG 2.42 -4.20e-001 2 2
assign (resid  24 and name    HG1) (resid  25 and name    HB1) 4.0 2.2 2.0 !A 0.955393 5 ARG/SER 6.01 -2.01e+000 2 0
assign (resid  24 and name    HG2) (resid  24 and name    HD1) 4.0 2.2 2.0 !AB 0.904639 5 ARG/ARG 2.52 -5.25e-001 2 2
assign (resid  24 and name    HG2) (resid  24 and name    HD2) 4.0 2.2 2.0 !AB 0.904639 5 ARG/ARG 3.03 -3.36e-002 2 2
assign (resid  24 and name    HG2) (resid  25 and name    HB1) 4.0 2.2 2.0 !A 0.955393 5 ARG/SER 6.76 -2.76e+000 2 0
assign (resid  24 and name   HG#)  (resid  24 and name   HA)  4.0 2.2 2.0 !ARG ARG 300557.68554688
assign (resid  24 and name   HG#)  (resid  24 and name   HN)  4.0 2.2 2.0 !ARG ARG 296676.015625
assign (resid  24 and name   HN)  (resid  24 and name   HA)  4.0 2.2 2.0 !ARG ARG 776290.40625
assign (resid  24 and name    HN) (resid  24 and name    HB1) 4.0 2.2 2.0 !B 1.083263 5 ARG/ARG 3.64 3.61e-001 0 2
assign (resid  24 and name    HN) (resid  24 and name    HB2) 4.0 2.2 2.0 !B 1.083263 5 ARG/ARG 2.50 -4.98e-001 0 2
assign (resid  24 and name    HN) (resid  24 and name    HD1) 4.0 2.2 2.0 !B 0.965697 5 ARG/ARG 4.88 -8.78e-001 0 2
assign (resid  24 and name    HN) (resid  24 and name    HD2) 4.0 2.2 2.0 !B 0.965697 5 ARG/ARG 4.33 -3.31e-001 0 2
assign (resid  24 and name    HN) (resid  24 and name    HG1) 4.0 2.2 2.0 !B 0.929857 5 ARG/ARG 2.36 -3.58e-001 0 2
assign (resid  24 and name    HN) (resid  24 and name    HG2) 4.0 2.2 2.0 !B 0.929857 5 ARG/ARG 3.29 -2.95e-001 0 2
assign (resid  24 and name    HN) (resid  25 and name    HN) 4.0 2.2 2.0 ! 1.050724 5 ARG/SER 2.97 2.85e-002 0 0
assign (resid  24 and name    HN) (resid  26 and name    HN) 4.0 2.2 2.0 ! 1.049949 5 ARG/LYS 3.48 5.21e-001 0 0
assign (resid  24 and name    HN) (resid  27 and name    HN) 4.0 2.2 2.0 ! 1.084644 5 ARG/ASP 4.40 -4.00e-001 0 0
assign (resid  25 and name    HA) (resid  25 and name    HB1) 4.0 2.2 2.0 ! 1.075885 5 SER/SER 2.97 3.04e-002 0 0
assign (resid  25 and name    HA) (resid  25 and name    HB2) 4.0 2.2 2.0 ! 1.017994 5 SER/SER 2.32 -3.20e-001 0 0
assign (resid  25 and name   HB1)  (resid  25 and name   HA)  4.0 2.2 2.0 !SER SER 232208.2109375
assign (resid  25 and name   HB1)  (resid  25 and name   HB2)  4.0 2.2 2.0 !SER SER 227884.484375
assign (resid  25 and name   HB1)  (resid  26 and name   HN)  4.0 2.2 2.0 !SER LYS 229983.421875
assign (resid  25 and name    HB1) (resid  27 and name    HN) 4.0 2.2 2.0 !T 1.098158 5 SER/ASP 5.51 -1.51e+000 0 0
assign (resid  25 and name    HB1) (resid  28 and name    HB1) 4.0 2.2 2.0 ! 1.091954 5 SER/LEU 6.64 -2.64e+000 0 0
assign (resid  25 and name   HB2)  (resid  25 and name   HA)  4.0 2.2 2.0 !SER SER 260680.7109375
assign (resid  25 and name    HB2) (resid  25 and name    HB1) 4.0 2.2 2.0 !F 1.000000 5 SER/SER 1.78 2.20e-001 0 0
assign (resid  25 and name    HB2) (resid  26 and name    HN) 4.0 2.2 2.0 ! 1.020686 5 SER/LYS 4.11 -1.06e-001 0 0
assign (resid  25 and name   HB2)  (resid  26 and name   HN)  4.0 2.2 2.0 !SER LYS 254145.484375
assign (resid  25 and name    HB2) (resid  27 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 SER/ASP 7.22 -3.22e+000 0 0
assign (resid  25 and name    HB2) (resid  28 and name    HB2) 4.0 2.2 2.0 ! 0.988247 5 SER/LEU 4.38 -3.76e-001 0 0
assign (resid  25 and name    HB2) (resid  28 and name    HG) 4.0 2.2 2.0 ! 1.076903 5 SER/LEU 6.25 -2.25e+000 0 0
assign (resid  25 and name   HN)  (resid  24 and name   HN)  4.0 2.2 2.0 !SER ARG 166704.53125
assign (resid  25 and name   HN)  (resid  25 and name   HA)  4.0 2.2 2.0 !SER SER 169517.796875
assign (resid  25 and name   HN)  (resid  25 and name   HB1)  4.0 2.2 2.0 !SER SER 162114.40234375
assign (resid  25 and name   HN)  (resid  25 and name   HB2)  4.0 2.2 2.0 !SER SER 162675.5703125
assign (resid  25 and name    HN) (resid  25 and name    HB2) 4.0 2.2 2.0 ! 1.021352 5 SER/SER 2.83 1.72e-001 0 0
assign (resid  25 and name   HN)  (resid  26 and name   HN)  4.0 2.2 2.0 !SER LYS 164461.046875
assign (resid  25 and name    HN) (resid  26 and name    HN) 4.0 2.2 2.0 !T 1.099460 5 SER/LYS 2.75 -7.53e-001 0 0
assign (resid  26 and name    HA) (resid  27 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/ASP 5.81 -2.81e+000 0 0
assign (resid  26 and name    HA) (resid  28 and name    HN) 4.0 2.2 2.0 !T 1.092932 5 LYS/LEU 3.83 -8.32e-001 0 0
assign (resid  26 and name    HB1) (resid  26 and name    HD1) 4.0 2.2 2.0 !A 1.084730 5 LYS/LYS 3.74 2.61e-001 2 0
assign (resid  26 and name    HB1) (resid  26 and name    HG2) 4.0 2.2 2.0 !A 0.984094 5 LYS/LYS 2.51 -5.06e-001 2 0
assign (resid  26 and name    HB1) (resid  27 and name    HB1) 4.0 2.2 2.0 !A 1.009144 5 LYS/ASP 4.90 -9.02e-001 2 0
assign (resid  26 and name    HB1) (resid  27 and name    HN) 4.0 2.2 2.0 !A 1.016267 5 LYS/ASP 2.36 -3.65e-001 2 0
assign (resid  26 and name    HB2) (resid  26 and name    HD1) 4.0 2.2 2.0 !A 1.084730 5 LYS/LYS 3.23 -2.34e-001 2 0
assign (resid  26 and name    HB2) (resid  26 and name    HG2) 4.0 2.2 2.0 !A 0.984094 5 LYS/LYS 2.43 -4.26e-001 2 0
assign (resid  26 and name    HB2) (resid  27 and name    HB1) 4.0 2.2 2.0 !A 1.009144 5 LYS/ASP 6.39 -2.39e+000 2 0
assign (resid  26 and name    HB2) (resid  27 and name    HN) 4.0 2.2 2.0 !A 1.016267 5 LYS/ASP 3.81 1.93e-001 2 0
assign (resid  26 and name   HB#)  (resid  26 and name   HA)  4.0 2.2 2.0 !LYS LYS 36711.62109375
assign (resid  26 and name   HB#)  (resid  26 and name   HD2)  4.0 2.2 2.0 !LYS LYS 35498.35546875
assign (resid  26 and name   HB#)  (resid  26 and name   HE#)  4.0 2.2 2.0 !LYS LYS 36148.759765625
assign (resid  26 and name   HB#)  (resid  26 and name   HG1)  4.0 2.2 2.0 !LYS LYS 36147.649414063
assign (resid  26 and name   HB#)  (resid  26 and name   HN)  4.0 2.2 2.0 !LYS LYS 36450.209716797
assign (resid  26 and name   HD1)  (resid  26 and name   HA)  4.0 2.2 2.0 !LYS LYS 15056.034667969
assign (resid  26 and name   HD1)  (resid  26 and name   HB#)  4.0 2.2 2.0 !LYS LYS 14242.439941406
assign (resid  26 and name   HD1)  (resid  26 and name   HD2)  4.0 2.2 2.0 !LYS LYS 14254.104736328
assign (resid  26 and name   HD1)  (resid  26 and name   HE#)  4.0 2.2 2.0 !LYS LYS 14516.549804688
assign (resid  26 and name   HD1)  (resid  26 and name   HG1)  4.0 2.2 2.0 !LYS LYS 14294.450195313
assign (resid  26 and name   HD1)  (resid  26 and name   HG2)  4.0 2.2 2.0 !LYS LYS 14198.939941406
assign (resid  26 and name   HD1)  (resid  26 and name   HN)  4.0 2.2 2.0 !LYS LYS 14701.669921875
assign (resid  26 and name   HD1)  (resid  27 and name   HN)  4.0 2.2 2.0 !LYS ASP 14242.250488281
assign (resid  26 and name    HD1) (resid  27 and name    HN) 4.0 2.2 2.0 !T 1.094794 5 LYS/ASP 4.22 -2.24e-001 0 0
assign (resid  26 and name    HD1) (resid  28 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/LEU 4.85 -1.85e+000 0 0
assign (resid  26 and name    HD1) (resid  29 and name    HB1) 4.0 2.2 2.0 !T 1.098131 5 LYS/ARG 2.34 -3.39e-001 0 0
assign (resid  26 and name   HD2)  (resid  26 and name   HA)  4.0 2.2 2.0 !LYS LYS 45877.418945313
assign (resid  26 and name   HD2)  (resid  26 and name   HG1)  4.0 2.2 2.0 !LYS LYS 44867.036132813
assign (resid  26 and name   HD2)  (resid  26 and name   HN)  4.0 2.2 2.0 !LYS LYS 45784.780273438
assign (resid  26 and name    HD2) (resid  29 and name    HD1) 4.0 2.2 2.0 ! 1.006277 5 LYS/ARG 5.37 -1.37e+000 0 0
assign (resid  26 and name   HE#)  (resid  26 and name   HA)  4.0 2.2 2.0 !LYS LYS 171309.4921875
assign (resid  26 and name   HE#)  (resid  26 and name   HN)  4.0 2.2 2.0 !LYS LYS 169690.359375
assign (resid  26 and name   HG1)  (resid  26 and name   HA)  4.0 2.2 2.0 !LYS LYS 57114.291015625
assign (resid  26 and name    HG1) (resid  26 and name    HD1) 4.0 2.2 2.0 !T 0.906645 5 LYS/LYS 2.45 5.45e-001 0 0
assign (resid  26 and name    HG1) (resid  26 and name    HD2) 4.0 2.2 2.0 ! 1.092861 5 LYS/LYS 2.48 -4.83e-001 0 0
assign (resid  26 and name    HG1) (resid  26 and name    HE1) 4.0 2.2 2.0 !TBISPA 1.000000 5 LYS/LYS 3.61 3.95e-001 0 2
assign (resid  26 and name    HG1) (resid  26 and name    HE2) 4.0 2.2 2.0 !TBISPA 1.000000 5 LYS/LYS 3.93 7.31e-002 0 2
assign (resid  26 and name   HG1)  (resid  26 and name   HN)  4.0 2.2 2.0 !LYS LYS 56953.400390625
assign (resid  26 and name    HG1) (resid  29 and name    HB2) 4.0 2.2 2.0 ! 1.072406 5 LYS/ARG 5.52 -1.52e+000 0 0
assign (resid  26 and name   HG1)  (resid  30 and name   HD2)  4.0 2.2 2.0 !LYS HIS 56708.886230469
assign (resid  26 and name   HG2)  (resid  17 and name   HD21)  4.0 2.2 2.0 !LYS ASN 19550.635742188
assign (resid  26 and name   HG2)  (resid  26 and name   HA)  4.0 2.2 2.0 !LYS LYS 19690.794921875
assign (resid  26 and name   HG2)  (resid  26 and name   HB#)  4.0 2.2 2.0 !LYS LYS 19630.179199219
assign (resid  26 and name    HG2) (resid  26 and name    HD1) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/LYS 3.03 -1.03e+000 0 0
assign (resid  26 and name   HG2)  (resid  26 and name   HE#)  4.0 2.2 2.0 !LYS LYS 19648.719970703
!assign (resid  26 and name    HG2) (resid  27 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/ASP 6.51 -2.51e+000 0 0
assign (resid  26 and name    HG2) (resid  29 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/ARG 6.10 -2.10e+000 0 0
assign (resid  26 and name    HG2) (resid  29 and name    HD2) 4.0 2.2 2.0 ! 1.048789 5 LYS/ARG 5.62 -1.62e+000 0 0
assign (resid  26 and name    HG2) (resid  30 and name    HD2) 4.0 2.2 2.0 ! 1.086869 5 LYS/HIS 5.57 -1.57e+000 0 0
assign (resid  26 and name   HN)  (resid  24 and name   HN)  4.0 2.2 2.0 !LYS ARG 306129.90625
assign (resid  26 and name   HN)  (resid  26 and name   HA)  4.0 2.2 2.0 !LYS LYS 305136.34375
assign (resid  26 and name    HN) (resid  26 and name    HD1) 4.0 2.2 2.0 !T 1.099024 5 LYS/LYS 4.72 -7.24e-001 0 0
assign (resid  26 and name    HN) (resid  27 and name    HA) 4.0 2.2 2.0 !T 1.096696 5 LYS/ASP 5.50 -1.50e+000 0 0
assign (resid  26 and name    HN) (resid  27 and name    HB1) 4.0 2.2 2.0 !T 1.096930 5 LYS/ASP 4.98 -9.81e-001 0 0
assign (resid  26 and name    HN) (resid  27 and name    HN) 4.0 2.2 2.0 !T 1.098688 5 LYS/ASP 2.93 7.15e-002 0 0
assign (resid  26 and name    HN) (resid  28 and name    HN) 4.0 2.2 2.0 !T 1.087958 5 LYS/LEU 3.84 1.64e-001 0 0
assign (resid  27 and name    HA) (resid  27 and name    HB1) 4.0 2.2 2.0 ! 1.013686 5 ASP/ASP 3.04 -3.57e-002 0 0
assign (resid  27 and name    HA) (resid  27 and name    HB2) 4.0 2.2 2.0 ! 1.004106 5 ASP/ASP 2.47 -4.65e-001 0 0
assign (resid  27 and name    HA) (resid  28 and name    HB2) 4.0 2.2 2.0 !T 1.091742 5 ASP/LEU 5.75 -1.75e+000 0 0
assign (resid  27 and name    HA) (resid  28 and name    HN) 4.0 2.2 2.0 !T 1.098588 5 ASP/LEU 3.49 5.13e-001 0 0
assign (resid  27 and name    HA) (resid  30 and name    HD2) 4.0 2.2 2.0 !T 1.091797 5 ASP/HIS 5.14 -1.14e+000 0 0
assign (resid  27 and name   HB1)  (resid  27 and name   HA)  4.0 2.2 2.0 !ASP ASP 4780.4348602295
assign (resid  27 and name   HB1)  (resid  27 and name   HB2)  4.0 2.2 2.0 !ASP ASP 6071.8950195313
assign (resid  27 and name   HB1)  (resid  27 and name   HN)  4.0 2.2 2.0 !ASP ASP 4952.5498046875
assign (resid  27 and name    HB1) (resid  28 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 ASP/LEU 5.85 -1.85e+000 0 0
assign (resid  27 and name    HB1) (resid  28 and name    HB2) 4.0 2.2 2.0 ! 1.012378 5 ASP/LEU 4.78 -7.81e-001 0 0
assign (resid  27 and name    HB1) (resid  28 and name    HN) 4.0 2.2 2.0 ! 1.045651 5 ASP/LEU 2.97 3.33e-002 0 0
assign (resid  27 and name   HB1)  (resid  28 and name   HN)  4.0 2.2 2.0 !ASP LEU 5771.759765625
assign (resid  27 and name    HB1) (resid  30 and name    HD2) 4.0 2.2 2.0 !T 1.096941 5 ASP/HIS 7.74 -3.74e+000 0 0
assign (resid  27 and name   HB2)  (resid  27 and name   HA)  4.0 2.2 2.0 !ASP ASP 461125.03125
assign (resid  27 and name    HB2) (resid  28 and name    HB2) 4.0 2.2 2.0 !T 1.072484 5 ASP/LEU 6.24 -2.24e+000 0 0
assign (resid  27 and name    HB2) (resid  28 and name    HN) 4.0 2.2 2.0 ! 1.039670 5 ASP/LEU 4.10 -9.82e-002 0 0
assign (resid  27 and name    HB2) (resid  30 and name    HD2) 4.0 2.2 2.0 !T 1.082490 5 ASP/HIS 7.47 -3.47e+000 0 0
!assign (resid  27 and name   HN)  (resid  12 and name   HD#)  4.0 2.2 2.0 !ASP LEU 20794.2109375
assign (resid  27 and name   HN)  (resid  26 and name   HA)  4.0 2.2 2.0 !ASP LYS 21284.935913086
assign (resid  27 and name   HN)  (resid  26 and name   HB#)  4.0 2.2 2.0 !ASP LYS 20705.155273438
assign (resid  27 and name   HN)  (resid  26 and name   HD2)  4.0 2.2 2.0 !ASP LYS 21023.323730469
assign (resid  27 and name   HN)  (resid  26 and name   HN)  4.0 2.2 2.0 !ASP LYS 21242.3359375
assign (resid  27 and name    HN) (resid  27 and name    HA) 4.0 2.2 2.0 ! 1.086372 5 ASP/ASP 2.80 1.97e-001 0 0
assign (resid  27 and name   HN)  (resid  27 and name   HA)  4.0 2.2 2.0 !ASP ASP 19707.100097656
assign (resid  27 and name    HN) (resid  27 and name    HB1) 4.0 2.2 2.0 ! 1.026164 5 ASP/ASP 2.60 -5.95e-001 0 0
assign (resid  27 and name   HN)  (resid  27 and name   HB2)  4.0 2.2 2.0 !ASP ASP 21348.315429688
assign (resid  27 and name    HN) (resid  28 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ASP/LEU 4.90 -1.90e+000 0 0
assign (resid  27 and name   HN)  (resid  28 and name   HN)  4.0 2.2 2.0 !ASP LEU 21209.856079102
assign (resid  27 and name    HN) (resid  30 and name    HD2) 4.0 2.2 2.0 !TISPA 1.000000 5 ASP/HIS 6.35 -2.35e+000 0 0
assign (resid  28 and name    HA) (resid  32 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/PHE 4.79 -1.79e+000 0 0
assign (resid  28 and name    HA) (resid  32 and name    HB2) 4.0 2.2 2.0 ! 1.045944 5 LEU/PHE 4.00 1.09e-003 0 0
assign (resid  28 and name    HA) (resid  36 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/PHE 7.92 -4.92e+000 0 0
assign (resid  28 and name   HB1)  (resid  28 and name   HA)  4.0 2.2 2.0 !LEU LEU 68112.291503906
assign (resid  28 and name   HB1)  (resid  28 and name   HB2)  4.0 2.2 2.0 !LEU LEU 66410.0390625
assign (resid  28 and name   HB1)  (resid  28 and name   HD#)  4.0 2.2 2.0 !LEU LEU 66549.49609375
assign (resid  28 and name   HB1)  (resid  28 and name   HG)  4.0 2.2 2.0 !LEU LEU 66604.603515625
assign (resid  28 and name   HB1)  (resid  29 and name   HN)  4.0 2.2 2.0 !LEU ARG 66219.579711914
assign (resid  28 and name   HB2)  (resid  28 and name   HA)  4.0 2.2 2.0 !LEU LEU 112453.54638672
assign (resid  28 and name   HB2)  (resid  28 and name   HD#)  4.0 2.2 2.0 !LEU LEU 110563.171875
assign (resid  28 and name   HB2)  (resid  28 and name   HG)  4.0 2.2 2.0 !LEU LEU 111709.15380859
assign (resid  28 and name   HD#)  (resid  28 and name   HA)  4.0 2.2 2.0 !LEU LEU 250730.625
assign (resid  28 and name   HD#)  (resid  28 and name   HG)  4.0 2.2 2.0 !LEU LEU 250601.9296875
assign (resid  28 and name   HD#) (resid  32 and name    HB2) 4.0 2.2 2.0 ! 1.061995 2 LEU/PHE 6.52 -2.52e+000 0 0
assign (resid  28 and name   HD#) (resid  32 and name    HD#) 4.0 2.2 2.0 !TB 1.097845 2 LEU/PHE 8.57 -4.57e+000 0 0
assign (resid  28 and name   HD#) (resid  32 and name    HN) 4.0 2.2 2.0 !T 1.094087 2 LEU/PHE 7.79 -3.79e+000 0 0
assign (resid  28 and name   HG)  (resid  28 and name   HA)  4.0 2.2 2.0 !LEU LEU 252228.4921875
assign (resid  28 and name   HN)  (resid  26 and name   HA)  4.0 2.2 2.0 !LEU LYS 50037.03515625
assign (resid  28 and name   HN)  (resid  27 and name   HA)  4.0 2.2 2.0 !LEU ASP 48304.786132813
assign (resid  28 and name   HN)  (resid  27 and name   HB2)  4.0 2.2 2.0 !LEU ASP 50222.44921875
assign (resid  28 and name   HN)  (resid  28 and name   HA)  4.0 2.2 2.0 !LEU LEU 50083.60546875
assign (resid  28 and name    HN) (resid  28 and name    HA) 4.0 2.2 2.0 !T 1.097778 5 LEU/LEU 2.95 4.91e-002 0 0
assign (resid  28 and name   HN)  (resid  28 and name   HB1)  4.0 2.2 2.0 !LEU LEU 48395.6796875
assign (resid  28 and name    HN) (resid  28 and name    HB2) 4.0 2.2 2.0 ! 1.037468 5 LEU/LEU 2.35 -3.45e-001 0 0
assign (resid  28 and name   HN)  (resid  28 and name   HB2)  4.0 2.2 2.0 !LEU LEU 48804.386230469
assign (resid  28 and name    HN) (resid  28 and name   HD#) 4.0 2.2 2.0 ! 0.992887 2 LEU/LEU 4.25 -2.46e-001 0 0
assign (resid  28 and name   HN)  (resid  28 and name   HD#)  4.0 2.2 2.0 !LEU LEU 49220.5
assign (resid  28 and name   HN)  (resid  28 and name   HG)  4.0 2.2 2.0 !LEU LEU 49861.100585938
assign (resid  28 and name    HN) (resid  29 and name    HB1) 4.0 2.2 2.0 ! 1.032977 5 LEU/ARG 4.51 -5.06e-001 0 0
assign (resid  28 and name    HN) (resid  29 and name    HN) 4.0 2.2 2.0 ! 1.017173 5 LEU/ARG 2.27 -2.71e-001 0 0
assign (resid  28 and name   HN)  (resid  29 and name   HN)  4.0 2.2 2.0 !LEU ARG 48617.763671875
assign (resid  28 and name    HN) (resid  32 and name    HB2) 4.0 2.2 2.0 !T 1.067714 5 LEU/PHE 6.12 -2.12e+000 0 0
assign (resid  28 and name    HN) (resid  32 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/PHE 5.81 -1.81e+000 0 0
assign (resid  29 and name   HA)  (resid  29 and name   HD2)  4.0 2.2 2.0 !ARG ARG 84933.65234375
assign (resid  29 and name   HA)  (resid  30 and name   HN)  4.0 2.2 2.0 !ARG HIS 84789.21875
assign (resid  29 and name    HA) (resid  32 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 4.18 -1.18e+000 0 0
assign (resid  29 and name   HA)  (resid  33 and name   HN)  4.0 2.2 2.0 !ARG ARG 84823.65234375
assign (resid  29 and name   HB1)  (resid  29 and name   HA)  4.0 2.2 2.0 !ARG ARG 69892.099609375
assign (resid  29 and name    HB1) (resid  29 and name    HD1) 4.0 2.2 2.0 ! 0.913315 5 ARG/ARG 3.70 2.96e-001 0 0
assign (resid  29 and name   HB1)  (resid  29 and name   HD2)  4.0 2.2 2.0 !ARG ARG 70246.628662109
assign (resid  29 and name    HB1) (resid  29 and name    HG1) 4.0 2.2 2.0 !B 1.044102 5 ARG/ARG 3.02 -1.89e-002 0 2
assign (resid  29 and name    HB1) (resid  29 and name    HG2) 4.0 2.2 2.0 !B 1.044102 5 ARG/ARG 2.36 -3.62e-001 0 2
assign (resid  29 and name   HB1)  (resid  29 and name   HG#)  4.0 2.2 2.0 !ARG ARG 70246.58984375
assign (resid  29 and name   HB1)  (resid  29 and name   HN)  4.0 2.2 2.0 !ARG ARG 69296.921875
assign (resid  29 and name    HB1) (resid  30 and name    HD2) 4.0 2.2 2.0 ! 0.910455 5 ARG/HIS 2.39 -3.88e-001 0 0
assign (resid  29 and name   HB1)  (resid  30 and name   HN)  4.0 2.2 2.0 !ARG HIS 70207.2734375
assign (resid  29 and name   HB2)  (resid  29 and name   HA)  4.0 2.2 2.0 !ARG ARG 12042.845214844
assign (resid  29 and name   HB2)  (resid  29 and name   HB1)  4.0 2.2 2.0 !ARG ARG 11233.150146484
assign (resid  29 and name   HB2)  (resid  29 and name   HD1)  4.0 2.2 2.0 !ARG ARG 11224.900146484
assign (resid  29 and name   HB2)  (resid  29 and name   HD2)  4.0 2.2 2.0 !ARG ARG 12180.059570313
assign (resid  29 and name    HB2) (resid  29 and name    HD2) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/ARG 2.57 1.43e+000 0 0
assign (resid  29 and name   HB2)  (resid  29 and name   HG#)  4.0 2.2 2.0 !ARG ARG 12145.550292969
assign (resid  29 and name   HB2)  (resid  29 and name   HN)  4.0 2.2 2.0 !ARG ARG 11793.620117188
assign (resid  29 and name   HB2)  (resid  30 and name   HD2)  4.0 2.2 2.0 !ARG HIS 11743.170410156
assign (resid  29 and name    HB2) (resid  32 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 6.45 -3.45e+000 0 0
assign (resid  29 and name    HB2) (resid  32 and name    HD#) 4.0 2.2 2.0 !TBISPA 1.000000 1 ARG/PHE 7.54 -4.54e+000 0 0
assign (resid  29 and name    HB2) (resid  32 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 6.14 -2.14e+000 0 0
assign (resid  29 and name   HD1)  (resid  29 and name   HA)  4.0 2.2 2.0 !ARG ARG 43572.739257813
assign (resid  29 and name   HD1)  (resid  29 and name   HB1)  4.0 2.2 2.0 !ARG ARG 42661.744140625
assign (resid  29 and name   HD1)  (resid  29 and name   HD2)  4.0 2.2 2.0 !ARG ARG 44042.904296875
assign (resid  29 and name   HD1)  (resid  29 and name   HN)  4.0 2.2 2.0 !ARG ARG 43181.765625
assign (resid  29 and name    HD2) (resid  33 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/ARG 7.93 -3.93e+000 0 0
assign (resid  29 and name    HG1) (resid  30 and name    HA) 4.0 2.2 2.0 !A 1.010777 5 ARG/HIS 4.57 -5.73e-001 2 0
assign (resid  29 and name    HG1) (resid  30 and name    HB1) 4.0 2.2 2.0 !A 1.051444 5 ARG/HIS 6.70 -2.70e+000 2 0
assign (resid  29 and name    HG1) (resid  33 and name    HG1) 4.0 2.2 2.0 !TAISPA 1.000000 5 ARG/ARG 5.94 -2.94e+000 2 0
assign (resid  29 and name    HG2) (resid  30 and name    HB1) 4.0 2.2 2.0 !A 1.051444 5 ARG/HIS 5.36 -1.36e+000 2 0
assign (resid  29 and name    HG2) (resid  33 and name    HG1) 4.0 2.2 2.0 !TAISPA 1.000000 5 ARG/ARG 5.48 -2.48e+000 2 0
assign (resid  29 and name   HG#)  (resid  29 and name   HA)  4.0 2.2 2.0 !ARG ARG 147782.40625
assign (resid  29 and name   HG#)  (resid  29 and name   HD1)  4.0 2.2 2.0 !ARG ARG 147645.625
assign (resid  29 and name   HG#)  (resid  29 and name   HD2)  4.0 2.2 2.0 !ARG ARG 152860.12890625
assign (resid  29 and name   HN)  (resid  28 and name   HA)  4.0 2.2 2.0 !ARG LEU 80852.866210938
assign (resid  29 and name   HN)  (resid  28 and name   HD#)  4.0 2.2 2.0 !ARG LEU 80835.390625
assign (resid  29 and name   HN)  (resid  29 and name   HA)  4.0 2.2 2.0 !ARG ARG 80760.037109375
assign (resid  29 and name   HN)  (resid  29 and name   HD2)  4.0 2.2 2.0 !ARG ARG 81309.879882813
assign (resid  29 and name   HN)  (resid  29 and name   HG#)  4.0 2.2 2.0 !ARG ARG 80801.955810547
assign (resid  29 and name    HN) (resid  30 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/HIS 5.44 -3.44e+000 0 0
assign (resid  29 and name    HN) (resid  30 and name    HD2) 4.0 2.2 2.0 !T 0.901478 5 ARG/HIS 4.41 -4.13e-001 0 0
assign (resid  29 and name    HN) (resid  32 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 5.25 -2.25e+000 0 0
assign (resid  29 and name    HN) (resid  32 and name    HD#) 4.0 2.2 2.0 !TB 1.085716 1 ARG/PHE 7.35 -3.35e+000 0 0
assign (resid  29 and name    HN) (resid  32 and name    HN) 4.0 2.2 2.0 !T 1.085331 5 ARG/PHE 4.76 -7.61e-001 0 0
assign (resid   2 and name    HA) (resid   2 and name    HB) 4.0 2.2 2.0 ! 1.051313 5 VAL/VAL 3.03 -2.71e-002 0 0
assign (resid   2 and name    HA) (resid   2 and name   HG1#) 4.0 2.2 2.0 ! 0.990259 2 VAL/VAL 3.03 -2.53e-002 0 0
assign (resid  2 and name   HA)  (resid  2 and name   HG2#)  4.0 2.2 2.0 !VAL VAL 264224.0703125
assign (resid   2 and name    HA) (resid   3 and name    HN) 4.0 2.2 2.0 !T 1.099449 5 VAL/PHE 3.50 -5.00e-001 0 0
assign (resid  2 and name   HA)  (resid  3 and name   HN)  4.0 2.2 2.0 !VAL PHE 264859.109375
assign (resid   2 and name    HA) (resid   5 and name    HD#) 4.0 2.2 2.0 !B 0.995285 1 VAL/PHE 4.92 -9.24e-001 0 0
assign (resid   2 and name    HA) (resid   5 and name    HN) 4.0 2.2 2.0 ! 0.956674 5 VAL/PHE 3.64 3.62e-001 0 0
assign (resid  2 and name   HB)  (resid  2 and name   HA)  4.0 2.2 2.0 !VAL VAL 100104.9453125
assign (resid  2 and name   HB)  (resid  2 and name   HG1#)  4.0 2.2 2.0 !VAL VAL 98732.45703125
assign (resid  2 and name   HB)  (resid  2 and name   HG2#)  4.0 2.2 2.0 !VAL VAL 100160.953125
assign (resid  2 and name   HB)  (resid  2 and name   HN)  4.0 2.2 2.0 !VAL VAL 99847.8359375
assign (resid   2 and name    HB) (resid   3 and name    HN) 4.0 2.2 2.0 ! 0.999658 5 VAL/PHE 2.85 1.50e-001 0 0
assign (resid  2 and name   HB)  (resid  3 and name   HN)  4.0 2.2 2.0 !VAL PHE 100491.24609375
assign (resid   2 and name    HB) (resid   6 and name    HB#) 4.0 2.2 2.0 !T 1.099452 2 VAL/ALA 6.12 -2.12e+000 0 0
assign (resid  2 and name   HG1#)  (resid  2 and name   HA)  4.0 2.2 2.0 !VAL VAL 160665.40625
assign (resid  2 and name   HG1#)  (resid  2 and name   HN)  4.0 2.2 2.0 !VAL VAL 159132.9609375
assign (resid   2 and name   HG1#) (resid   3 and name    HN) 4.0 2.2 2.0 ! 0.972585 2 VAL/PHE 4.76 -7.65e-001 0 0
assign (resid  2 and name   HG1#)  (resid  3 and name   HN)  4.0 2.2 2.0 !VAL PHE 160696.515625
assign (resid   2 and name   HG1#) (resid   5 and name    HB1) 4.0 2.2 2.0 !B 0.957594 2 VAL/PHE 4.55 -5.47e-001 0 2
assign (resid   2 and name   HG1#) (resid   5 and name    HB2) 4.0 2.2 2.0 !B 0.957594 2 VAL/PHE 5.57 -1.57e+000 0 2
assign (resid   2 and name   HG1#) (resid   5 and name    HD#) 4.0 2.2 2.0 !B 1.029580 2 VAL/PHE 6.88 -2.88e+000 0 0
assign (resid   2 and name   HG1#) (resid   5 and name    HN) 4.0 2.2 2.0 ! 1.051933 2 VAL/PHE 5.95 -1.95e+000 0 0
assign (resid   2 and name   HG1#) (resid   6 and name    HB#) 4.0 2.2 2.0 ! 0.948539 2 VAL/ALA 4.86 -8.60e-001 0 0
assign (resid   2 and name   HG2#) (resid   3 and name    HN) 4.0 2.2 2.0 ! 0.970530 2 VAL/PHE 4.63 -6.30e-001 0 0
assign (resid  2 and name   HG2#)  (resid  3 and name   HN)  4.0 2.2 2.0 !VAL PHE 294822.546875
assign (resid   2 and name   HG2#) (resid   5 and name    HN) 4.0 2.2 2.0 !T 1.097522 2 VAL/PHE 6.49 -2.49e+000 0 0
assign (resid  2 and name   HN)  (resid  2 and name   HA)  4.0 2.2 2.0 !VAL VAL 217814.265625
assign (resid   2 and name    HN) (resid   2 and name    HB) 4.0 2.2 2.0 ! 1.016781 5 VAL/VAL 2.72 2.76e-001 0 0
assign (resid   2 and name    HN) (resid   2 and name   HG1#) 4.0 2.2 2.0 ! 1.011463 2 VAL/VAL 4.62 -6.19e-001 0 0
assign (resid  2 and name   HN)  (resid  2 and name   HG2#)  4.0 2.2 2.0 !VAL VAL 218979.828125
assign (resid   2 and name    HN) (resid   3 and name    HD#) 4.0 2.2 2.0 !BISPAC 1.000000 1 VAL/PHE 7.22 -3.22e+000 0 0
assign (resid  2 and name   HN)  (resid  3 and name   HN)  4.0 2.2 2.0 !VAL PHE 221717.6875
assign (resid   2 and name    HN) (resid   3 and name    HN) 4.0 2.2 2.0 ! 1.025717 5 VAL/PHE 2.72 2.75e-001 0 0
assign (resid   2 and name    HN) (resid   4 and name    HN) 4.0 2.2 2.0 ! 1.031892 5 VAL/ALA 4.91 -9.07e-001 0 0
assign (resid   2 and name    HN) (resid   5 and name    HB1) 4.0 2.2 2.0 !B 0.986277 5 VAL/PHE 5.22 -1.22e+000 0 2
assign (resid   2 and name    HN) (resid   5 and name    HB2) 4.0 2.2 2.0 !B 0.986277 5 VAL/PHE 4.71 -7.14e-001 0 2
assign (resid   2 and name    HN) (resid   5 and name    HN) 4.0 2.2 2.0 ! 1.071374 5 VAL/PHE 4.81 -8.11e-001 0 0
assign (resid   2 and name    HN) (resid   6 and name    HN) 4.0 2.2 2.0 !T 1.095527 5 VAL/ALA 5.85 -1.85e+000 0 0
assign (resid  30 and name   HA)  (resid  30 and name   HB1)  4.0 2.2 2.0 !HIS HIS 31343.080078125
assign (resid  30 and name   HA)  (resid  30 and name   HB2)  4.0 2.2 2.0 !HIS HIS 32013.069580078
assign (resid  30 and name   HA)  (resid  30 and name   HD2)  4.0 2.2 2.0 !HIS HIS 31792.370605469
assign (resid  30 and name    HA) (resid  30 and name    HD2) 4.0 2.2 2.0 !T 1.098640 5 HIS/HIS 3.59 -5.88e-001 0 0
assign (resid  30 and name   HA)  (resid  30 and name   HN)  4.0 2.2 2.0 !HIS HIS 31943.494140625
assign (resid  30 and name    HA) (resid  31 and name    HN) 4.0 2.2 2.0 !T 1.097644 5 HIS/ALA 3.59 -5.94e-001 0 0
!assign (resid  30 and name    HA) (resid  33 and name    HG2) 4.0 2.2 2.0 ! 0.941185 5 HIS/ARG 2.76 2.44e-001 0 0
assign (resid  30 and name    HA) (resid  33 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 HIS/ARG 3.52 -1.52e+000 0 0
assign (resid  30 and name   HB1)  (resid  30 and name   HB2)  4.0 2.2 2.0 !HIS HIS 62228.369689941
assign (resid  30 and name   HB1)  (resid  30 and name   HD2)  4.0 2.2 2.0 !HIS HIS 62113.187988281
assign (resid  30 and name   HB1)  (resid  30 and name   HN)  4.0 2.2 2.0 !HIS HIS 62136.1328125
assign (resid  30 and name    HB1) (resid  31 and name    HB#) 4.0 2.2 2.0 ! 0.975704 2 HIS/ALA 5.62 -1.62e+000 0 0
assign (resid  30 and name    HB1) (resid  31 and name    HN) 4.0 2.2 2.0 ! 0.949351 5 HIS/ALA 3.20 -2.02e-001 0 0
assign (resid  30 and name    HB1) (resid  33 and name    HN) 4.0 2.2 2.0 !T 1.033122 5 HIS/ARG 5.62 -1.62e+000 0 0
assign (resid  30 and name    HB2) (resid  30 and name    HD2) 4.0 2.2 2.0 ! 1.077245 5 HIS/HIS 3.05 -5.19e-002 0 0
assign (resid  30 and name    HB2) (resid  31 and name    HB#) 4.0 2.2 2.0 ! 1.006431 2 HIS/ALA 5.00 -9.96e-001 0 0
assign (resid  30 and name    HB2) (resid  33 and name    HB1) 4.0 2.2 2.0 !TBISPA 1.000000 5 HIS/ARG 7.22 -3.22e+000 0 2
assign (resid  30 and name    HB2) (resid  33 and name    HB2) 4.0 2.2 2.0 !TBISPA 1.000000 5 HIS/ARG 8.11 -4.11e+000 0 2
assign (resid  30 and name    HB2) (resid  34 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 HIS/SER 7.44 -3.44e+000 0 0
assign (resid  30 and name    HB2) (resid  34 and name    HB2) 4.0 2.2 2.0 !T 1.097279 5 HIS/SER 5.37 -1.37e+000 0 0
assign (resid  30 and name   HD2)  (resid  29 and name   HG#)  4.0 2.2 2.0 !HIS ARG 72990.86328125
assign (resid  30 and name   HD2)  (resid  30 and name   HB2)  4.0 2.2 2.0 !HIS HIS 73083.419921875
assign (resid  30 and name   HD2)  (resid  30 and name   HN)  4.0 2.2 2.0 !HIS HIS 72863.955078125
assign (resid  30 and name   HN)  (resid  27 and name   HA)  4.0 2.2 2.0 !HIS ASP 132813.5859375
assign (resid  30 and name   HN)  (resid  29 and name   HG#)  4.0 2.2 2.0 !HIS ARG 132927.125
assign (resid  30 and name    HN) (resid  30 and name    HA) 4.0 2.2 2.0 !T 1.096514 5 HIS/HIS 2.95 -9.49e-001 0 0
assign (resid  30 and name   HN)  (resid  30 and name   HB2)  4.0 2.2 2.0 !HIS HIS 132959.57421875
assign (resid  30 and name    HN) (resid  30 and name    HD2) 4.0 2.2 2.0 !T 0.901682 5 HIS/HIS 2.59 4.11e-001 0 0
assign (resid  30 and name    HN) (resid  32 and name    HN) 4.0 2.2 2.0 ! 1.080750 5 HIS/PHE 3.63 3.72e-001 0 0
assign (resid  31 and name   HA)  (resid  32 and name   HN)  4.0 2.2 2.0 !ALA PHE 91865.5703125
assign (resid  31 and name    HA) (resid  32 and name    HN) 4.0 2.2 2.0 !T 1.099615 5 ALA/PHE 3.40 -4.00e-001 0 0
assign (resid  31 and name   HA)  (resid  34 and name   HN)  4.0 2.2 2.0 !ALA SER 92357.919433594
assign (resid  31 and name    HA) (resid  36 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/PHE 6.51 -2.51e+000 0 0
assign (resid  31 and name   HB#)  (resid  31 and name   HA)  4.0 2.2 2.0 !ALA ALA 21481.874511719
assign (resid  31 and name    HB#) (resid  32 and name    HB1) 4.0 2.2 2.0 ! 1.030668 2 ALA/PHE 5.92 -1.92e+000 0 0
assign (resid  31 and name    HB#) (resid  32 and name    HB2) 4.0 2.2 2.0 ! 1.042425 2 ALA/PHE 5.30 -1.30e+000 0 0
assign (resid  31 and name    HB#) (resid  32 and name    HN) 4.0 2.2 2.0 ! 1.066577 2 ALA/PHE 3.86 1.38e-001 0 0
assign (resid  31 and name   HB#)  (resid  32 and name   HN)  4.0 2.2 2.0 !ALA PHE 21516.065429688
assign (resid  31 and name    HB#) (resid  34 and name    HB2) 4.0 2.2 2.0 ! 1.020203 2 ALA/SER 6.44 -2.44e+000 0 0
assign (resid  31 and name    HB#) (resid  35 and name    HB2) 4.0 2.2 2.0 !T 1.089395 2 ALA/MET 4.90 -8.96e-001 0 0
assign (resid  31 and name    HB#) (resid  35 and name    HG2) 4.0 2.2 2.0 ! 1.025594 2 ALA/MET 6.40 -2.40e+000 0 0
assign (resid  31 and name   HN)  (resid  27 and name   HA)  4.0 2.2 2.0 !ALA ASP 15120.675292969
assign (resid  31 and name   HN)  (resid  28 and name   HA)  4.0 2.2 2.0 !ALA LEU 16676.270263672
assign (resid  31 and name   HN)  (resid  30 and name   HA)  4.0 2.2 2.0 !ALA HIS 15540.159667969
assign (resid  31 and name   HN)  (resid  30 and name   HB1)  4.0 2.2 2.0 !ALA HIS 15832.449707031
assign (resid  31 and name   HN)  (resid  30 and name   HB2)  4.0 2.2 2.0 !ALA HIS 16907.94921875
assign (resid  31 and name   HN)  (resid  30 and name   HN)  4.0 2.2 2.0 !ALA HIS 16045.929962158
assign (resid  31 and name   HN)  (resid  31 and name   HA)  4.0 2.2 2.0 !ALA ALA 16042.724609375
assign (resid  31 and name    HN) (resid  31 and name    HA) 4.0 2.2 2.0 !T 1.097989 5 ALA/ALA 2.79 2.06e-001 0 0
assign (resid  31 and name   HN)  (resid  31 and name   HB#)  4.0 2.2 2.0 !ALA ALA 15324.259765625
assign (resid  31 and name    HN) (resid  32 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/PHE 5.28 -2.28e+000 0 0
!assign (resid  31 and name    HN) (resid  32 and name    HD#) 4.0 2.2 2.0 !BISPAC 1.000000 1 ALA/PHE 7.28 -3.28e+000 0 0
assign (resid  31 and name   HN)  (resid  32 and name   HN)  4.0 2.2 2.0 !ALA PHE 16421.530273438
assign (resid  31 and name    HN) (resid  32 and name    HN) 4.0 2.2 2.0 !T 1.098684 5 ALA/PHE 2.79 2.07e-001 0 0
assign (resid  31 and name   HN)  (resid  33 and name   HN)  4.0 2.2 2.0 !ALA ARG 16304.010009766
assign (resid  31 and name    HN) (resid  33 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/ARG 5.08 -1.08e+000 0 0
assign (resid  32 and name   HA)  (resid  32 and name   HB1)  4.0 2.2 2.0 !PHE PHE 68154.8984375
assign (resid  32 and name    HA) (resid  32 and name    HB1) 4.0 2.2 2.0 ! 1.061617 5 PHE/PHE 3.04 -3.55e-002 0 0
assign (resid  32 and name    HA) (resid  32 and name    HB2) 4.0 2.2 2.0 ! 1.040758 5 PHE/PHE 2.43 -4.27e-001 0 0
assign (resid  32 and name   HA)  (resid  32 and name   HN)  4.0 2.2 2.0 !PHE PHE 68881.849609375
assign (resid  32 and name    HA) (resid  33 and name    HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/ARG 6.78 -2.78e+000 0 0
assign (resid  32 and name    HA) (resid  35 and name    HB2) 4.0 2.2 2.0 !T 1.094688 5 PHE/MET 4.26 -1.26e+000 0 0
assign (resid  32 and name    HA) (resid  35 and name    HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/MET 6.85 -2.85e+000 0 0
assign (resid  32 and name    HB1) (resid  32 and name    HD#) 4.0 2.2 2.0 !B 0.978498 1 PHE/PHE 2.64 -6.37e-001 0 0
assign (resid  32 and name   HB1)  (resid  32 and name   HN)  4.0 2.2 2.0 !PHE PHE 161530.984375
assign (resid  32 and name    HB1) (resid  33 and name    HB1) 4.0 2.2 2.0 !B 1.061767 5 PHE/ARG 4.01 -6.07e-003 0 2
assign (resid  32 and name    HB1) (resid  33 and name    HB2) 4.0 2.2 2.0 !B 1.061767 5 PHE/ARG 5.50 -1.50e+000 0 2
assign (resid  32 and name    HB1) (resid  33 and name    HG1) 4.0 2.2 2.0 ! 1.087545 5 PHE/ARG 4.53 -5.28e-001 0 0
assign (resid  32 and name   HB1)  (resid  33 and name   HN)  4.0 2.2 2.0 !PHE ARG 160707.109375
assign (resid  32 and name    HB1) (resid  33 and name    HN) 4.0 2.2 2.0 ! 1.029499 5 PHE/ARG 2.11 -1.09e-001 0 0
!assign (resid  32 and name    HB1) (resid  34 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 7.16 -3.16e+000 0 0
assign (resid  32 and name    HB1) (resid  34 and name    HN) 4.0 2.2 2.0 ! 1.044858 5 PHE/SER 4.32 -3.17e-001 0 0
assign (resid  32 and name    HB1) (resid  35 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/MET 6.99 -3.99e+000 0 0
assign (resid  32 and name    HB1) (resid  35 and name    HN) 4.0 2.2 2.0 !T 1.094559 5 PHE/MET 5.96 -1.96e+000 0 0
assign (resid  32 and name    HB1) (resid  36 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/PHE 6.85 -2.85e+000 0 0
assign (resid  32 and name   HB2)  (resid  32 and name   HA)  4.0 2.2 2.0 !PHE PHE 44268.08984375
assign (resid  32 and name   HB2)  (resid  32 and name   HB1)  4.0 2.2 2.0 !PHE PHE 44473.724609375
assign (resid  32 and name    HB2) (resid  32 and name    HD#) 4.0 2.2 2.0 !B 1.039135 1 PHE/PHE 2.81 1.88e-001 0 0
assign (resid  32 and name   HB2)  (resid  32 and name   HN)  4.0 2.2 2.0 !PHE PHE 44602.9609375
!assign (resid  32 and name    HB2) (resid  33 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/ARG 5.60 -2.60e+000 0 0
assign (resid  32 and name    HB2) (resid  33 and name    HB2) 4.0 2.2 2.0 !TBISPA 1.000000 5 PHE/ARG 7.07 -3.07e+000 0 2
assign (resid  32 and name    HB2) (resid  33 and name    HG1) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/ARG 6.00 -3.00e+000 0 0
assign (resid  32 and name    HB2) (resid  33 and name    HN) 4.0 2.2 2.0 ! 0.986688 5 PHE/ARG 3.64 3.65e-001 0 0
assign (resid  32 and name   HB2)  (resid  33 and name   HN)  4.0 2.2 2.0 !PHE ARG 44548.28515625
assign (resid  32 and name    HB2) (resid  34 and name    HN) 4.0 2.2 2.0 ! 1.082250 5 PHE/SER 5.24 -1.24e+000 0 0
assign (resid  32 and name    HB2) (resid  35 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/MET 6.50 -3.50e+000 0 0
assign (resid  32 and name    HB2) (resid  36 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/PHE 7.78 -3.78e+000 0 0
assign (resid  32 and name   HD#)  (resid  32 and name   HA)  4.0 2.2 2.0 !PHE PHE 18361.145507813
assign (resid  32 and name   HD#)  (resid  32 and name   HB1)  4.0 2.2 2.0 !PHE PHE 18505.865234375
assign (resid  32 and name   HD#)  (resid  32 and name   HB2)  4.0 2.2 2.0 !PHE PHE 18200.150390625
assign (resid  32 and name   HD#)  (resid  32 and name   HN)  4.0 2.2 2.0 !PHE PHE 18669.299804688
assign (resid  32 and name    HD#) (resid  33 and name    HG1) 4.0 2.2 2.0 !A 1.070719 1 PHE/ARG 5.32 -1.32e+000 0 0
assign (resid  32 and name    HD#) (resid  33 and name    HN) 4.0 2.2 2.0 !A 0.939186 1 PHE/ARG 2.83 1.68e-001 0 0
assign (resid  32 and name   HD#)  (resid  33 and name   HN)  4.0 2.2 2.0 !PHE ARG 18614.9453125
assign (resid  32 and name    HD#) (resid  34 and name    HN) 4.0 2.2 2.0 !A 0.900849 1 PHE/SER 5.40 -1.40e+000 0 0
assign (resid  32 and name    HD#) (resid  35 and name    HB2) 4.0 2.2 2.0 !TAISPA 1.000000 1 PHE/MET 6.91 -3.91e+000 0 0
assign (resid  32 and name    HD#) (resid  36 and name    HA) 4.0 2.2 2.0 !TA 1.030749 1 PHE/PHE 6.77 -2.77e+000 0 0
assign (resid  32 and name    HD#) (resid  36 and name    HB1) 4.0 2.2 2.0 !A 0.966309 1 PHE/PHE 4.13 -1.31e-001 0 0
assign (resid  32 and name    HD#) (resid  36 and name    HB2) 4.0 2.2 2.0 !A 0.931032 1 PHE/PHE 4.28 -2.80e-001 0 0
assign (resid  32 and name    HD#) (resid  36 and name    HD#) 4.0 2.2 2.0 !TABISPA 1.000000 1 PHE/PHE 4.67 -2.67e+000 0 0
assign (resid  32 and name    HD#) (resid  36 and name    HN) 4.0 2.2 2.0 !TA 1.083848 1 PHE/PHE 6.71 -2.71e+000 0 0
assign (resid  32 and name   HN)  (resid  28 and name   HA)  4.0 2.2 2.0 !PHE LEU 239107.546875
assign (resid  32 and name    HN) (resid  32 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/PHE 2.95 -9.54e-001 0 0
assign (resid  32 and name    HN) (resid  32 and name    HB1) 4.0 2.2 2.0 ! 1.023043 5 PHE/PHE 2.42 -4.21e-001 0 0
assign (resid  32 and name    HN) (resid  32 and name    HB2) 4.0 2.2 2.0 ! 1.088618 5 PHE/PHE 2.86 1.39e-001 0 0
assign (resid  32 and name    HN) (resid  32 and name    HD#) 4.0 2.2 2.0 !B 1.014527 1 PHE/PHE 4.70 -7.00e-001 0 0
assign (resid  32 and name    HN) (resid  33 and name    HN) 4.0 2.2 2.0 ! 1.090697 5 PHE/ARG 2.71 2.86e-001 0 0
assign (resid  32 and name    HN) (resid  34 and name    HN) 4.0 2.2 2.0 ! 1.048087 5 PHE/SER 3.30 7.00e-001 0 0
assign (resid  32 and name   HN)  (resid  34 and name   HN)  4.0 2.2 2.0 !PHE SER 232891.5078125
assign (resid  32 and name    HN) (resid  35 and name    HB2) 4.0 2.2 2.0 !T 1.063832 5 PHE/MET 5.64 -1.64e+000 0 0
assign (resid  32 and name    HN) (resid  35 and name    HN) 4.0 2.2 2.0 ! 1.059382 5 PHE/MET 4.50 -4.96e-001 0 0
assign (resid  33 and name    HA) (resid  33 and name    HB1) 4.0 2.2 2.0 !B 0.987241 5 ARG/ARG 2.56 -5.57e-001 0 2
assign (resid  33 and name    HA) (resid  33 and name    HB2) 4.0 2.2 2.0 !B 0.987241 5 ARG/ARG 2.38 -3.84e-001 0 2
assign (resid  33 and name   HA)  (resid  33 and name   HN)  4.0 2.2 2.0 !ARG ARG 130872.18359375
assign (resid  33 and name    HA) (resid  34 and name    HA) 4.0 2.2 2.0 !T 1.087906 5 ARG/SER 4.71 -7.06e-001 0 0
assign (resid  33 and name    HA) (resid  34 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/SER 5.68 -1.68e+000 0 0
assign (resid  33 and name    HA) (resid  34 and name    HN) 4.0 2.2 2.0 !T 1.098740 5 ARG/SER 3.45 -4.45e-001 0 0
assign (resid  33 and name    HA) (resid  36 and name    HN) 4.0 2.2 2.0 !T 1.092543 5 ARG/PHE 4.34 -3.41e-001 0 0
assign (resid  33 and name    HB1) (resid  33 and name    HG2) 4.0 2.2 2.0 !A 1.001590 5 ARG/ARG 2.30 -3.03e-001 2 0
assign (resid  33 and name    HB1) (resid  34 and name    HN) 4.0 2.2 2.0 !A 1.074472 5 ARG/SER 4.07 -6.53e-002 2 0
assign (resid  33 and name    HB2) (resid  33 and name    HG2) 4.0 2.2 2.0 !A 1.001590 5 ARG/ARG 2.74 2.61e-001 2 0
assign (resid  33 and name    HB2) (resid  34 and name    HN) 4.0 2.2 2.0 !A 1.074472 5 ARG/SER 4.22 -2.24e-001 2 0
assign (resid  33 and name   HB#)  (resid  33 and name   HA)  4.0 2.2 2.0 !ARG ARG 30105.825378418
assign (resid  33 and name   HB#)  (resid  33 and name   HG1)  4.0 2.2 2.0 !ARG ARG 30170.71484375
assign (resid  33 and name   HB#)  (resid  33 and name   HG2)  4.0 2.2 2.0 !ARG ARG 30069.365478516
assign (resid  33 and name   HB#)  (resid  33 and name   HN)  4.0 2.2 2.0 !ARG ARG 30216.750488281
assign (resid  33 and name   HB#)  (resid  34 and name   HN)  4.0 2.2 2.0 !ARG SER 30316.034851074
assign (resid  33 and name   HG1)  (resid  33 and name   HA)  4.0 2.2 2.0 !ARG ARG 179323.03515625
assign (resid  33 and name   HG1)  (resid  33 and name   HN)  4.0 2.2 2.0 !ARG ARG 180475.140625
assign (resid  33 and name   HG1)  (resid  34 and name   HN)  4.0 2.2 2.0 !ARG SER 182936.0390625
assign (resid  33 and name   HG2)  (resid  33 and name   HA)  4.0 2.2 2.0 !ARG ARG 54313.619140625
assign (resid  33 and name   HG2)  (resid  33 and name   HG1)  4.0 2.2 2.0 !ARG ARG 54574.270751953
assign (resid  33 and name   HG2)  (resid  33 and name   HN)  4.0 2.2 2.0 !ARG ARG 54623.639404297
assign (resid  33 and name    HG2) (resid  34 and name    HB2) 4.0 2.2 2.0 ! 1.001691 5 ARG/SER 4.97 -9.69e-001 0 0
assign (resid  33 and name    HG2) (resid  34 and name    HN) 4.0 2.2 2.0 ! 0.954926 5 ARG/SER 4.02 -2.05e-002 0 0
assign (resid  33 and name   HG2)  (resid  34 and name   HN)  4.0 2.2 2.0 !ARG SER 54705.19140625
assign (resid  33 and name   HN)  (resid  30 and name   HA)  4.0 2.2 2.0 !ARG HIS 195750.4921875
assign (resid  33 and name   HN)  (resid  32 and name   HA)  4.0 2.2 2.0 !ARG PHE 197115.8984375
assign (resid  33 and name   HN)  (resid  32 and name   HN)  4.0 2.2 2.0 !ARG PHE 198977.671875
assign (resid  33 and name    HN) (resid  33 and name    HA) 4.0 2.2 2.0 !T 1.099029 5 ARG/ARG 2.84 -8.42e-001 0 0
assign (resid  33 and name    HN) (resid  33 and name    HB1) 4.0 2.2 2.0 !B 1.051045 5 ARG/ARG 2.38 -3.81e-001 0 2
assign (resid  33 and name    HN) (resid  33 and name    HB2) 4.0 2.2 2.0 !B 1.051045 5 ARG/ARG 3.60 3.95e-001 0 2
assign (resid  33 and name    HN) (resid  34 and name    HB2) 4.0 2.2 2.0 ! 1.034855 5 ARG/SER 5.29 -1.29e+000 0 0
assign (resid  33 and name   HN)  (resid  34 and name   HN)  4.0 2.2 2.0 !ARG SER 200226.5
assign (resid  33 and name    HN) (resid  34 and name    HN) 4.0 2.2 2.0 !T 1.096877 5 ARG/SER 2.70 -6.97e-001 0 0
assign (resid  33 and name    HN) (resid  36 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 4.93 -9.26e-001 0 0
assign (resid  33 and name    HN) (resid  36 and name    HB2) 4.0 2.2 2.0 !T 1.048612 5 ARG/PHE 5.54 -1.54e+000 0 0
assign (resid  34 and name    HA) (resid  34 and name    HB1) 4.0 2.2 2.0 ! 0.945342 5 SER/SER 3.01 -1.48e-002 0 0
assign (resid  34 and name    HA) (resid  34 and name    HB2) 4.0 2.2 2.0 ! 0.953853 5 SER/SER 2.37 -3.69e-001 0 0
assign (resid  34 and name    HA) (resid  35 and name    HB2) 4.0 2.2 2.0 !T 1.098747 5 SER/MET 5.97 -1.97e+000 0 0
assign (resid  34 and name    HA) (resid  35 and name    HG2) 4.0 2.2 2.0 ! 1.081892 5 SER/MET 5.40 -1.40e+000 0 0
assign (resid  34 and name    HA) (resid  36 and name    HN) 4.0 2.2 2.0 !T 1.095614 5 SER/PHE 3.92 7.65e-002 0 0
assign (resid  34 and name   HB1)  (resid  34 and name   HA)  4.0 2.2 2.0 !SER SER 102309.00390625
assign (resid  34 and name   HB1)  (resid  34 and name   HN)  4.0 2.2 2.0 !SER SER 102332.56640625
assign (resid  34 and name    HB1) (resid  35 and name    HB2) 4.0 2.2 2.0 ! 1.035819 5 SER/MET 4.41 -4.14e-001 0 0
assign (resid  34 and name   HB1)  (resid  35 and name   HN)  4.0 2.2 2.0 !SER MET 103944.2734375
assign (resid  34 and name   HB2)  (resid  34 and name   HA)  4.0 2.2 2.0 !SER SER 23339.470214844
assign (resid  34 and name    HB2) (resid  34 and name    HB1) 4.0 2.2 2.0 !F 1.000000 5 SER/SER 1.78 2.20e-001 0 0
assign (resid  34 and name   HB2)  (resid  34 and name   HB1)  4.0 2.2 2.0 !SER SER 23432.259765625
assign (resid  34 and name   HB2)  (resid  34 and name   HN)  4.0 2.2 2.0 !SER SER 23479.594726563
assign (resid  34 and name    HB2) (resid  35 and name    HG2) 4.0 2.2 2.0 ! 0.988947 5 SER/MET 5.42 -1.42e+000 0 0
assign (resid  34 and name   HB2)  (resid  35 and name   HN)  4.0 2.2 2.0 !SER MET 23659.065429688
assign (resid  34 and name   HN)  (resid  33 and name   HA)  4.0 2.2 2.0 !SER ARG 327190.9453125
assign (resid  34 and name   HN)  (resid  34 and name   HA)  4.0 2.2 2.0 !SER SER 313152.359375
assign (resid  34 and name    HN) (resid  34 and name    HA) 4.0 2.2 2.0 !T 1.099323 5 SER/SER 2.92 7.60e-002 0 0
assign (resid  34 and name    HN) (resid  34 and name    HB1) 4.0 2.2 2.0 ! 0.910039 5 SER/SER 2.30 -3.02e-001 0 0
assign (resid  34 and name    HN) (resid  34 and name    HB2) 4.0 2.2 2.0 ! 1.009297 5 SER/SER 2.93 6.83e-002 0 0
assign (resid  34 and name    HN) (resid  35 and name    HB2) 4.0 2.2 2.0 !T 1.098637 5 SER/MET 5.03 -1.03e+000 0 0
assign (resid  34 and name   HN)  (resid  35 and name   HN)  4.0 2.2 2.0 !SER MET 333782.5
assign (resid  34 and name    HN) (resid  36 and name    HB2) 4.0 2.2 2.0 !T 1.084975 5 SER/PHE 5.11 -1.11e+000 0 0
assign (resid  35 and name   HA)  (resid  35 and name   HB1)  4.0 2.2 2.0 !MET MET 104144.3046875
assign (resid  35 and name    HA) (resid  35 and name    HB1) 4.0 2.2 2.0 ! 1.021829 5 MET/MET 2.46 -4.56e-001 0 0
assign (resid  35 and name    HA) (resid  35 and name    HB2) 4.0 2.2 2.0 ! 1.032968 5 MET/MET 3.03 -3.45e-002 0 0
assign (resid  35 and name   HA)  (resid  35 and name   HG1)  4.0 2.2 2.0 !MET MET 104434.296875
assign (resid  35 and name    HA) (resid  35 and name    HG1) 4.0 2.2 2.0 ! 0.974199 5 MET/MET 3.26 -2.60e-001 0 0
assign (resid  35 and name   HA)  (resid  35 and name   HN)  4.0 2.2 2.0 !MET MET 105017.625
assign (resid  35 and name   HA)  (resid  36 and name   HN)  4.0 2.2 2.0 !MET PHE 104006.60546875
assign (resid  35 and name    HA) (resid  36 and name    HN) 4.0 2.2 2.0 ! 1.073812 5 MET/PHE 2.83 1.72e-001 0 0
assign (resid  35 and name    HA) (resid  37 and name    HB1) 4.0 2.2 2.0 !TBISPA 1.000000 5 MET/PRO 5.96 -1.96e+000 0 2
assign (resid  35 and name   HB1)  (resid  35 and name   HG1)  4.0 2.2 2.0 !MET MET 191579.7421875
assign (resid  35 and name   HB1)  (resid  35 and name   HN)  4.0 2.2 2.0 !MET MET 195736.97460938
assign (resid  35 and name    HB1) (resid  36 and name    HB2) 4.0 2.2 2.0 ! 1.070953 5 MET/PHE 4.63 -6.35e-001 0 0
assign (resid  35 and name   HB2)  (resid  35 and name   HA)  4.0 2.2 2.0 !MET MET 54914.239257813
assign (resid  35 and name   HB2)  (resid  35 and name   HB1)  4.0 2.2 2.0 !MET MET 55752.828125
assign (resid  35 and name    HB2) (resid  35 and name    HG1) 4.0 2.2 2.0 ! 0.969926 5 MET/MET 2.38 -3.83e-001 0 0
assign (resid  35 and name   HB2)  (resid  35 and name   HG1)  4.0 2.2 2.0 !MET MET 55985.646484375
assign (resid  35 and name    HB2) (resid  35 and name    HG2) 4.0 2.2 2.0 ! 0.944291 5 MET/MET 3.03 -2.58e-002 0 0
assign (resid  35 and name   HB2)  (resid  35 and name   HG2)  4.0 2.2 2.0 !MET MET 54902.71875
assign (resid  35 and name   HB2)  (resid  35 and name   HN)  4.0 2.2 2.0 !MET MET 56002.74609375
assign (resid  35 and name    HB2) (resid  36 and name    HD#) 4.0 2.2 2.0 !TB 1.054161 1 MET/PHE 5.54 -1.54e+000 0 0
assign (resid  35 and name   HB2)  (resid  36 and name   HN)  4.0 2.2 2.0 !MET PHE 55549.314941406
assign (resid  35 and name    HB2) (resid  36 and name    HN) 4.0 2.2 2.0 !T 1.099142 5 MET/PHE 4.24 -2.38e-001 0 0
assign (resid  35 and name   HG1)  (resid  35 and name   HN)  4.0 2.2 2.0 !MET MET 243630.4296875
assign (resid  35 and name    HG1) (resid  36 and name    HN) 4.0 2.2 2.0 ! 1.024846 5 MET/PHE 5.07 -1.07e+000 0 0
assign (resid  35 and name   HG2)  (resid  35 and name   HA)  4.0 2.2 2.0 !MET MET 73108.03515625
assign (resid  35 and name   HG2)  (resid  35 and name   HB1)  4.0 2.2 2.0 !MET MET 73752.873046875
assign (resid  35 and name   HG2)  (resid  35 and name   HG1)  4.0 2.2 2.0 !MET MET 73897.6171875
assign (resid  35 and name    HG2) (resid  35 and name    HG1) 4.0 2.2 2.0 !F 1.000000 5 MET/MET 1.78 2.20e-001 0 0
assign (resid  35 and name   HG2)  (resid  35 and name   HN)  4.0 2.2 2.0 !MET MET 74434.078613281
assign (resid  35 and name   HN)  (resid  31 and name   HA)  4.0 2.2 2.0 !MET ALA 361918.296875
assign (resid  35 and name   HN)  (resid  32 and name   HA)  4.0 2.2 2.0 !MET PHE 345616.25
assign (resid  35 and name   HN)  (resid  34 and name   HA)  4.0 2.2 2.0 !MET SER 396875.71875
assign (resid  35 and name    HN) (resid  35 and name    HG1) 4.0 2.2 2.0 ! 0.959628 5 MET/MET 2.37 -3.69e-001 0 0
assign (resid  35 and name    HN) (resid  36 and name    HB1) 4.0 2.2 2.0 !T 1.082108 5 MET/PHE 5.09 -1.09e+000 0 0
assign (resid  35 and name    HN) (resid  36 and name    HB2) 4.0 2.2 2.0 !T 1.096866 5 MET/PHE 4.28 -2.77e-001 0 0
assign (resid  35 and name    HN) (resid  36 and name    HD#) 4.0 2.2 2.0 !B 1.018476 1 MET/PHE 6.63 -2.63e+000 0 0
assign (resid  35 and name    HN) (resid  37 and name    HD1) 4.0 2.2 2.0 !T 1.092495 5 MET/PRO 5.25 -1.25e+000 0 0
assign (resid  36 and name    HA) (resid  36 and name    HB1) 4.0 2.2 2.0 ! 1.050788 5 PHE/PHE 2.98 1.73e-002 0 0
assign (resid  36 and name    HA) (resid  36 and name    HB2) 4.0 2.2 2.0 ! 1.041467 5 PHE/PHE 2.69 -6.95e-001 0 0
assign (resid  36 and name   HA)  (resid  36 and name   HB2)  4.0 2.2 2.0 !PHE PHE 35020.9296875
assign (resid  36 and name    HA) (resid  36 and name    HD#) 4.0 2.2 2.0 !B 1.063697 1 PHE/PHE 3.12 -1.24e-001 0 0
assign (resid  36 and name    HA) (resid  37 and name    HD1) 4.0 2.2 2.0 ! 1.020021 5 PHE/PRO 2.75 2.55e-001 0 0
assign (resid  36 and name    HA) (resid  37 and name    HD2) 4.0 2.2 2.0 ! 1.004877 5 PHE/PRO 2.32 -3.20e-001 0 0
assign (resid  36 and name    HA) (resid  37 and name    HG1) 4.0 2.2 2.0 !B 1.028463 5 PHE/PRO 4.77 -7.71e-001 0 2
assign (resid  36 and name    HA) (resid  37 and name    HG2) 4.0 2.2 2.0 !B 1.028463 5 PHE/PRO 4.54 -5.37e-001 0 2
assign (resid  36 and name    HA) (resid  38 and name    HN) 4.0 2.2 2.0 ! 1.003729 5 PHE/SER 3.87 1.31e-001 0 0
assign (resid  36 and name   HB1)  (resid  36 and name   HA)  4.0 2.2 2.0 !PHE PHE 845464.15625
assign (resid  36 and name    HB1) (resid  36 and name    HD#) 4.0 2.2 2.0 !B 0.943992 1 PHE/PHE 3.01 -1.37e-002 0 0
assign (resid  36 and name    HB1) (resid  37 and name    HD1) 4.0 2.2 2.0 ! 1.048049 5 PHE/PRO 4.81 -8.10e-001 0 0
assign (resid  36 and name    HB1) (resid  37 and name    HD2) 4.0 2.2 2.0 ! 1.076541 5 PHE/PRO 4.92 -9.24e-001 0 0
assign (resid  36 and name    HB1) (resid  37 and name    HG2) 4.0 2.2 2.0 !TB 1.083223 5 PHE/PRO 6.70 -2.70e+000 0 2
assign (resid  36 and name    HB1) (resid  38 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 5.71 -2.71e+000 0 0
assign (resid  36 and name   HB2)  (resid  36 and name   HB1)  4.0 2.2 2.0 !PHE PHE 131092.1640625
assign (resid  36 and name    HB2) (resid  36 and name    HB1) 4.0 2.2 2.0 !F 1.000000 5 PHE/PHE 1.78 2.20e-001 0 0
assign (resid  36 and name    HB2) (resid  36 and name    HD#) 4.0 2.2 2.0 !B 1.010598 1 PHE/PHE 2.60 -6.00e-001 0 0
assign (resid  36 and name   HB2)  (resid  36 and name   HN)  4.0 2.2 2.0 !PHE PHE 130872.18359375
assign (resid  36 and name    HB2) (resid  37 and name    HD1) 4.0 2.2 2.0 ! 1.002480 5 PHE/PRO 4.72 -7.23e-001 0 0
assign (resid  36 and name    HB2) (resid  37 and name    HD2) 4.0 2.2 2.0 ! 1.022994 5 PHE/PRO 4.94 -9.38e-001 0 0
assign (resid  36 and name    HB2) (resid  38 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 6.50 -2.50e+000 0 0
assign (resid  36 and name    HB2) (resid  38 and name    HN) 4.0 2.2 2.0 !T 1.078971 5 PHE/SER 6.31 -2.31e+000 0 0
assign (resid  36 and name   HD#)  (resid  36 and name   HA)  4.0 2.2 2.0 !PHE PHE 12213.125244141
assign (resid  36 and name   HD#)  (resid  36 and name   HB1)  4.0 2.2 2.0 !PHE PHE 12966.420410156
assign (resid  36 and name   HD#)  (resid  36 and name   HB2)  4.0 2.2 2.0 !PHE PHE 12857.279541016
assign (resid  36 and name    HD#) (resid  37 and name    HD1) 4.0 2.2 2.0 !A 1.027863 1 PHE/PRO 5.34 -1.34e+000 0 0
assign (resid  36 and name    HD#) (resid  37 and name    HD2) 4.0 2.2 2.0 !A 1.043581 1 PHE/PRO 4.47 -4.69e-001 0 0
assign (resid  36 and name    HD#) (resid  37 and name    HG1) 4.0 2.2 2.0 !AB 1.073017 1 PHE/PRO 6.96 -2.96e+000 0 2
assign (resid  36 and name    HD#) (resid  37 and name    HG2) 4.0 2.2 2.0 !AB 1.073017 1 PHE/PRO 6.11 -2.11e+000 0 2
assign (resid  36 and name    HD#) (resid  38 and name    HB2) 4.0 2.2 2.0 !TAISPA 1.000000 1 PHE/SER 3.19 8.09e-001 0 0
assign (resid  36 and name    HD#) (resid  38 and name    HN) 4.0 2.2 2.0 !A 1.014545 1 PHE/SER 4.33 -3.26e-001 0 0
assign (resid  36 and name   HN)  (resid  35 and name   HB1)  4.0 2.2 2.0 !PHE MET 142532.2265625
assign (resid  36 and name   HN)  (resid  36 and name   HA)  4.0 2.2 2.0 !PHE PHE 142423.4609375
assign (resid  36 and name    HN) (resid  36 and name    HB1) 4.0 2.2 2.0 ! 1.073741 5 PHE/PHE 3.42 5.82e-001 0 0
assign (resid  36 and name   HN)  (resid  36 and name   HB1)  4.0 2.2 2.0 !PHE PHE 143618.515625
assign (resid  36 and name    HN) (resid  36 and name    HB2) 4.0 2.2 2.0 !T 1.096054 5 PHE/PHE 3.25 -2.49e-001 0 0
assign (resid  36 and name    HN) (resid  36 and name    HD#) 4.0 2.2 2.0 !B 1.076957 1 PHE/PHE 5.07 -1.07e+000 0 0
assign (resid  36 and name   HN)  (resid  36 and name   HD#)  4.0 2.2 2.0 !PHE PHE 139597.046875
assign (resid  36 and name   HN)  (resid  37 and name   HD1)  4.0 2.2 2.0 !PHE PRO 142924.69140625
assign (resid  36 and name    HN) (resid  37 and name    HD1) 4.0 2.2 2.0 !T 0.907411 5 PHE/PRO 2.32 -3.25e-001 0 0
assign (resid  36 and name    HN) (resid  37 and name    HD2) 4.0 2.2 2.0 ! 0.928904 5 PHE/PRO 3.62 3.80e-001 0 0
assign (resid  37 and name    HA) (resid  37 and name    HB1) 4.0 2.2 2.0 !B 1.000443 5 PRO/PRO 2.33 -3.31e-001 0 2
assign (resid  37 and name    HA) (resid  37 and name    HB2) 4.0 2.2 2.0 !B 1.000443 5 PRO/PRO 2.70 2.96e-001 0 2
assign (resid  37 and name   HA)  (resid  37 and name   HD1)  4.0 2.2 2.0 !PRO PRO 154054.25390625
assign (resid  37 and name   HA)  (resid  37 and name   HG#)  4.0 2.2 2.0 !PRO PRO 154308.82226563
assign (resid  37 and name    HA) (resid  38 and name    HB2) 4.0 2.2 2.0 !T 1.099332 5 PRO/SER 5.12 -1.12e+000 0 0
assign (resid  37 and name    HB1) (resid  37 and name    HD1) 4.0 2.2 2.0 !A 0.925939 5 PRO/PRO 3.14 -1.41e-001 2 0
assign (resid  37 and name    HB1) (resid  37 and name    HD2) 4.0 2.2 2.0 !A 0.911209 5 PRO/PRO 3.90 1.01e-001 2 0
assign (resid  37 and name    HB1) (resid  37 and name    HG1) 4.0 2.2 2.0 !AB 0.952227 5 PRO/PRO 2.31 -3.09e-001 2 2
assign (resid  37 and name    HB1) (resid  37 and name    HG2) 4.0 2.2 2.0 !AB 0.952227 5 PRO/PRO 2.99 1.49e-002 2 2
assign (resid  37 and name    HB1) (resid  38 and name    HN) 4.0 2.2 2.0 !A 0.971832 5 PRO/SER 3.97 2.73e-002 2 0
assign (resid  37 and name    HB2) (resid  37 and name    HD1) 4.0 2.2 2.0 !A 0.925939 5 PRO/PRO 4.03 -2.65e-002 2 0
assign (resid  37 and name    HB2) (resid  37 and name    HD2) 4.0 2.2 2.0 !A 0.911209 5 PRO/PRO 4.01 -1.14e-002 2 0
assign (resid  37 and name    HB2) (resid  37 and name    HG1) 4.0 2.2 2.0 !AB 0.952227 5 PRO/PRO 2.68 -6.84e-001 2 2
assign (resid  37 and name    HB2) (resid  37 and name    HG2) 4.0 2.2 2.0 !AB 0.952227 5 PRO/PRO 2.31 -3.14e-001 2 2
assign (resid  37 and name    HB2) (resid  38 and name    HN) 4.0 2.2 2.0 !A 0.971832 5 PRO/SER 3.13 -1.26e-001 2 0
assign (resid  37 and name   HB#)  (resid  37 and name   HA)  4.0 2.2 2.0 !PRO PRO 61079.353515625
assign (resid  37 and name   HB#)  (resid  37 and name   HD1)  4.0 2.2 2.0 !PRO PRO 61292.7109375
assign (resid  37 and name   HB#)  (resid  37 and name   HD2)  4.0 2.2 2.0 !PRO PRO 60946.85546875
assign (resid  37 and name   HB#)  (resid  37 and name   HG#)  4.0 2.2 2.0 !PRO PRO 61878.6796875
assign (resid  37 and name   HD1)  (resid  36 and name   HA)  4.0 2.2 2.0 !PRO PHE 282686.84375
assign (resid  37 and name   HD1)  (resid  37 and name   HG#)  4.0 2.2 2.0 !PRO PRO 292698.015625
assign (resid  37 and name    HD1) (resid  38 and name    HN) 4.0 2.2 2.0 !T 0.915028 5 PRO/SER 3.66 3.39e-001 0 0
assign (resid  37 and name   HD2)  (resid  36 and name   HA)  4.0 2.2 2.0 !PRO PHE 85034.37890625
assign (resid  37 and name   HD2)  (resid  37 and name   HA)  4.0 2.2 2.0 !PRO PRO 85233.8203125
assign (resid  37 and name   HD2)  (resid  37 and name   HD1)  4.0 2.2 2.0 !PRO PRO 85648.64453125
assign (resid  37 and name    HD2) (resid  37 and name    HD1) 4.0 2.2 2.0 !F 1.000000 5 PRO/PRO 1.78 2.20e-001 0 0
assign (resid  37 and name   HD2)  (resid  37 and name   HG#)  4.0 2.2 2.0 !PRO PRO 86335.296875
assign (resid  37 and name    HD2) (resid  38 and name    HN) 4.0 2.2 2.0 !T 0.905851 5 PRO/SER 2.32 -3.24e-001 0 0
assign (resid  37 and name    HG1) (resid  37 and name    HD1) 4.0 2.2 2.0 !A 0.965371 5 PRO/PRO 2.31 -3.14e-001 2 0
assign (resid  37 and name    HG1) (resid  37 and name    HD2) 4.0 2.2 2.0 !A 0.966474 5 PRO/PRO 2.79 2.07e-001 2 0
assign (resid  37 and name    HG1) (resid  38 and name    HB2) 4.0 2.2 2.0 !TAISPA 1.000000 5 PRO/SER 6.59 -2.59e+000 2 0
assign (resid  37 and name    HG1) (resid  38 and name    HN) 4.0 2.2 2.0 !TA 0.902309 5 PRO/SER 3.58 4.24e-001 2 0
assign (resid  37 and name    HG1) (resid  39 and name    HA) 4.0 2.2 2.0 !TA 1.097820 5 PRO/ALA 6.91 -2.91e+000 2 0
assign (resid  37 and name    HG1) (resid  39 and name    HB#) 4.0 2.2 2.0 !A 0.954890 2 PRO/ALA 5.96 -1.96e+000 2 0
assign (resid  37 and name    HG2) (resid  37 and name    HD1) 4.0 2.2 2.0 !A 0.965371 5 PRO/PRO 2.98 1.51e-002 2 0
assign (resid  37 and name    HG2) (resid  37 and name    HD2) 4.0 2.2 2.0 !A 0.966474 5 PRO/PRO 2.31 -3.12e-001 2 0
assign (resid  37 and name    HG2) (resid  38 and name    HB2) 4.0 2.2 2.0 !TAISPA 1.000000 5 PRO/SER 5.11 -2.11e+000 2 0
assign (resid  37 and name    HG2) (resid  38 and name    HN) 4.0 2.2 2.0 !TA 0.902309 5 PRO/SER 2.04 -4.13e-002 2 0
assign (resid  37 and name    HG2) (resid  39 and name    HA) 4.0 2.2 2.0 !TA 1.097820 5 PRO/ALA 5.77 -1.77e+000 2 0
assign (resid  37 and name    HG2) (resid  39 and name    HB#) 4.0 2.2 2.0 !A 0.954890 2 PRO/ALA 5.12 -1.12e+000 2 0
assign (resid  38 and name   HB1)  (resid  38 and name   HA)  4.0 2.2 2.0 !SER SER 1414.1449737549
assign (resid  38 and name   HB1)  (resid  38 and name   HB2)  4.0 2.2 2.0 !SER SER 713.60003662109
assign (resid  38 and name   HB1)  (resid  38 and name   HN)  4.0 2.2 2.0 !SER SER 1313.3800048828
assign (resid  38 and name   HB2)  (resid  38 and name   HA)  4.0 2.2 2.0 !SER SER 22972.854492188
assign (resid  38 and name   HB2)  (resid  38 and name   HN)  4.0 2.2 2.0 !SER SER 22679.25
assign (resid  38 and name    HB2) (resid  39 and name    HA) 4.0 2.2 2.0 !T 1.094877 5 SER/ALA 5.97 -1.97e+000 0 0
assign (resid  38 and name    HB2) (resid  39 and name    HN) 4.0 2.2 2.0 !T 1.096921 5 SER/ALA 4.62 -6.23e-001 0 0
assign (resid  38 and name   HN)  (resid  37 and name   HB#)  4.0 2.2 2.0 !SER PRO 56246.961425781
assign (resid  38 and name   HN)  (resid  37 and name   HD1)  4.0 2.2 2.0 !SER PRO 56274.69140625
assign (resid  38 and name   HN)  (resid  38 and name   HA)  4.0 2.2 2.0 !SER SER 56695.9609375
assign (resid  38 and name    HN) (resid  38 and name    HA) 4.0 2.2 2.0 !T 1.082541 5 SER/SER 2.35 -3.52e-001 0 0
assign (resid  38 and name    HN) (resid  38 and name    HB1) 4.0 2.2 2.0 ! 1.032631 5 SER/SER 3.54 4.65e-001 0 0
assign (resid  38 and name    HN) (resid  38 and name    HB2) 4.0 2.2 2.0 ! 1.017067 5 SER/SER 3.08 -7.54e-002 0 0
assign (resid  39 and name   HA)  (resid  39 and name   HB#)  4.0 2.2 2.0 !ALA ALA 73106.62121582
assign (resid  39 and name    HA) (resid  39 and name    HB#) 4.0 2.2 2.0 !T 0.900294 2 ALA/ALA 2.82 1.18e+000 0 0
assign (resid  39 and name   HN)  (resid  39 and name   HA)  4.0 2.2 2.0 !ALA ALA 92411.234375
assign (resid  39 and name   HN)  (resid  39 and name   HB#)  4.0 2.2 2.0 !ALA ALA 92581.984375
assign (resid  3 and name   HA)  (resid  3 and name   HB1)  4.0 2.2 2.0 !PHE PHE 93192.30078125
assign (resid   3 and name    HA) (resid   3 and name    HB1) 4.0 2.2 2.0 ! 0.991386 5 PHE/PHE 3.03 -2.99e-002 0 0
assign (resid   3 and name    HA) (resid   3 and name    HB2) 4.0 2.2 2.0 ! 1.012892 5 PHE/PHE 2.53 -5.31e-001 0 0
assign (resid   3 and name    HA) (resid   3 and name    HD#) 4.0 2.2 2.0 !B 0.989261 1 PHE/PHE 3.06 -6.27e-002 0 0
assign (resid  3 and name   HA)  (resid  3 and name   HN)  4.0 2.2 2.0 !PHE PHE 93246.98828125
assign (resid   3 and name    HA) (resid   4 and name    HB#) 4.0 2.2 2.0 !T 1.063254 2 PHE/ALA 6.17 -2.17e+000 0 0
assign (resid   3 and name    HA) (resid   4 and name    HN) 4.0 2.2 2.0 !T 1.099517 5 PHE/ALA 3.59 -5.86e-001 0 0
assign (resid   3 and name    HA) (resid   5 and name    HB1) 4.0 2.2 2.0 !TB 1.095494 5 PHE/PHE 5.49 -1.49e+000 0 2
assign (resid   3 and name    HA) (resid   5 and name    HB2) 4.0 2.2 2.0 !TB 1.095494 5 PHE/PHE 5.95 -1.95e+000 0 2
assign (resid   3 and name    HA) (resid   5 and name    HN) 4.0 2.2 2.0 !T 1.080219 5 PHE/PHE 4.38 -3.83e-001 0 0
assign (resid   3 and name    HA) (resid   7 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 7.10 -3.10e+000 0 0
assign (resid  3 and name   HB1)  (resid  3 and name   HD#)  4.0 2.2 2.0 !PHE PHE 145426.83398438
assign (resid   3 and name    HB1) (resid   3 and name    HD#) 4.0 2.2 2.0 !B 0.941711 1 PHE/PHE 2.66 -6.57e-001 0 0
assign (resid  3 and name   HB1)  (resid  3 and name   HN)  4.0 2.2 2.0 !PHE PHE 145435.27734375
assign (resid   3 and name    HB1) (resid   4 and name    HB#) 4.0 2.2 2.0 ! 0.956818 2 PHE/ALA 4.54 -5.37e-001 0 0
assign (resid  3 and name   HB1)  (resid  4 and name   HN)  4.0 2.2 2.0 !PHE ALA 145525.69140625
assign (resid   3 and name    HB1) (resid   4 and name    HN) 4.0 2.2 2.0 ! 0.954713 5 PHE/ALA 2.04 -4.03e-002 0 0
assign (resid  3 and name   HB2)  (resid  3 and name   HA)  4.0 2.2 2.0 !PHE PHE 18773.490234375
assign (resid  3 and name   HB2)  (resid  3 and name   HB1)  4.0 2.2 2.0 !PHE PHE 18816.075195313
assign (resid   3 and name    HB2) (resid   3 and name    HD#) 4.0 2.2 2.0 !B 0.940690 1 PHE/PHE 2.76 2.36e-001 0 0
assign (resid  3 and name   HB2)  (resid  3 and name   HD#)  4.0 2.2 2.0 !PHE PHE 18847.725585938
assign (resid  3 and name   HB2)  (resid  3 and name   HN)  4.0 2.2 2.0 !PHE PHE 19262.834960938
assign (resid  3 and name   HB2)  (resid  4 and name   HN)  4.0 2.2 2.0 !PHE ALA 19299.400390625
assign (resid   3 and name    HB2) (resid   5 and name    HN) 4.0 2.2 2.0 ! 1.037273 5 PHE/PHE 5.46 -1.46e+000 0 0
assign (resid   3 and name    HB2) (resid   6 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/ALA 5.99 -1.99e+000 0 0
assign (resid   3 and name    HB2) (resid   7 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 6.97 -2.97e+000 0 0
assign (resid  3 and name   HD#)  (resid  3 and name   HA)  4.0 2.2 2.0 !PHE PHE 187628.296875
assign (resid  3 and name   HD#)  (resid  3 and name   HN)  4.0 2.2 2.0 !PHE PHE 187635.92675781
assign (resid   3 and name    HD#) (resid   4 and name    HB#) 4.0 2.2 2.0 !A 0.929621 2 PHE/ALA 5.19 -1.19e+000 0 0
assign (resid  3 and name   HD#)  (resid  6 and name   HB#)  4.0 2.2 2.0 !PHE ALA 191129.234375
assign (resid   3 and name    HD#) (resid   6 and name    HB#) 4.0 2.2 2.0 !TA 1.095732 2 PHE/ALA 6.74 -2.74e+000 0 0
assign (resid   3 and name    HN) (resid   3 and name    HA) 4.0 2.2 2.0 !T 1.098158 5 PHE/PHE 2.87 1.26e-001 0 0
assign (resid   3 and name    HN) (resid   3 and name    HB1) 4.0 2.2 2.0 ! 1.033070 5 PHE/PHE 2.65 -6.49e-001 0 0
assign (resid   3 and name    HN) (resid   3 and name    HB2) 4.0 2.2 2.0 ! 1.050648 5 PHE/PHE 2.47 -4.65e-001 0 0
assign (resid   3 and name    HN) (resid   3 and name    HD#) 4.0 2.2 2.0 !B 0.964460 1 PHE/PHE 4.69 -6.93e-001 0 0
assign (resid   3 and name    HN) (resid   4 and name    HB#) 4.0 2.2 2.0 ! 1.041821 2 PHE/ALA 5.52 -1.52e+000 0 0
assign (resid   3 and name    HN) (resid   5 and name    HB1) 4.0 2.2 2.0 !B 1.032714 5 PHE/PHE 5.17 -1.17e+000 0 2
assign (resid   3 and name    HN) (resid   5 and name    HB2) 4.0 2.2 2.0 !B 1.032714 5 PHE/PHE 4.95 -9.55e-001 0 2
assign (resid   3 and name    HN) (resid   5 and name    HN) 4.0 2.2 2.0 ! 1.082574 5 PHE/PHE 3.84 1.64e-001 0 0
assign (resid   3 and name    HN) (resid   6 and name    HN) 4.0 2.2 2.0 !T 1.086620 5 PHE/ALA 4.70 -6.97e-001 0 0
assign (resid   4 and name    HA) (resid   4 and name    HB#) 4.0 2.2 2.0 ! 1.033723 2 ALA/ALA 2.82 1.82e-001 0 0
assign (resid  4 and name   HA)  (resid  4 and name   HN)  4.0 2.2 2.0 !ALA ALA 342054.5625
assign (resid  4 and name   HB#)  (resid  4 and name   HA)  4.0 2.2 2.0 !ALA ALA 147168.890625
assign (resid  4 and name   HB#)  (resid  4 and name   HN)  4.0 2.2 2.0 !ALA ALA 147559.234375
assign (resid   4 and name    HB#) (resid   5 and name    HA) 4.0 2.2 2.0 ! 1.072870 2 ALA/PHE 4.74 -7.36e-001 0 0
assign (resid   4 and name    HB#) (resid   5 and name    HB1) 4.0 2.2 2.0 !B 0.987975 2 ALA/PHE 6.17 -2.17e+000 0 2
assign (resid   4 and name    HB#) (resid   5 and name    HB2) 4.0 2.2 2.0 !B 0.987975 2 ALA/PHE 5.00 -9.97e-001 0 2
assign (resid   4 and name    HB#) (resid   5 and name    HN) 4.0 2.2 2.0 ! 1.008994 2 ALA/PHE 3.33 6.65e-001 0 0
assign (resid   4 and name    HB#) (resid   6 and name    HN) 4.0 2.2 2.0 !T 1.095303 2 ALA/ALA 5.94 -1.94e+000 0 0
assign (resid   4 and name    HB#) (resid   7 and name    HB2) 4.0 2.2 2.0 ! 1.016290 2 ALA/SER 6.08 -2.08e+000 0 0
assign (resid   4 and name    HB#) (resid   8 and name    HB2) 4.0 2.2 2.0 !T 1.097663 2 ALA/MET 7.45 -3.45e+000 0 0
assign (resid   4 and name    HB#) (resid   8 and name    HG1) 4.0 2.2 2.0 ! 1.010620 2 ALA/MET 6.17 -2.17e+000 0 0
assign (resid   4 and name    HB#) (resid   8 and name    HN) 4.0 2.2 2.0 !T 1.094555 2 ALA/MET 6.18 -2.18e+000 0 0
assign (resid  4 and name   HN)  (resid  1 and name   HA)  4.0 2.2 2.0 !ALA THR 549804.25
assign (resid  4 and name   HN)  (resid  3 and name   HA)  4.0 2.2 2.0 !ALA PHE 545541.609375
assign (resid   4 and name    HN) (resid   4 and name    HB#) 4.0 2.2 2.0 ! 1.033226 2 ALA/ALA 2.91 8.82e-002 0 0
assign (resid   4 and name    HN) (resid   5 and name    HB1) 4.0 2.2 2.0 !B 1.053813 5 ALA/PHE 5.40 -1.40e+000 0 2
assign (resid   4 and name    HN) (resid   5 and name    HB2) 4.0 2.2 2.0 !B 1.053813 5 ALA/PHE 4.77 -7.67e-001 0 2
assign (resid   4 and name    HN) (resid   5 and name    HN) 4.0 2.2 2.0 ! 1.075208 5 ALA/PHE 2.72 2.78e-001 0 0
assign (resid   5 and name    HA) (resid   5 and name    HD#) 4.0 2.2 2.0 !B 1.009339 1 PHE/PHE 3.34 6.65e-001 0 0
assign (resid   5 and name    HA) (resid   6 and name    HB#) 4.0 2.2 2.0 !TISPA 1.000000 2 PHE/ALA 6.13 -4.13e+000 0 0
assign (resid   5 and name    HA) (resid   7 and name    HN) 4.0 2.2 2.0 ! 1.072975 5 PHE/SER 3.55 4.52e-001 0 0
assign (resid   5 and name    HA) (resid   8 and name    HG1) 4.0 2.2 2.0 ! 1.083509 5 PHE/MET 4.26 -2.62e-001 0 0
assign (resid   5 and name    HA) (resid   8 and name    HG2) 4.0 2.2 2.0 !T 1.099829 5 PHE/MET 5.73 -1.73e+000 0 0
assign (resid   5 and name    HA) (resid   9 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/LEU 7.07 -3.07e+000 0 0
assign (resid   5 and name    HB1) (resid   5 and name    HD#) 4.0 2.2 2.0 !AB 0.911163 1 PHE/PHE 2.75 2.52e-001 2 0
assign (resid   5 and name    HB1) (resid   6 and name    HB#) 4.0 2.2 2.0 !A 0.954241 2 PHE/ALA 4.79 -7.91e-001 2 0
assign (resid   5 and name    HB1) (resid   6 and name    HN) 4.0 2.2 2.0 !A 0.964003 5 PHE/ALA 2.26 -2.55e-001 2 0
assign (resid   5 and name    HB1) (resid   9 and name    HB1) 4.0 2.2 2.0 !TA 1.098928 5 PHE/LEU 6.97 -2.97e+000 2 0
assign (resid   5 and name    HB1) (resid   9 and name    HB2) 4.0 2.2 2.0 !A 1.050373 5 PHE/LEU 5.52 -1.52e+000 2 0
assign (resid   5 and name    HB2) (resid   5 and name    HD#) 4.0 2.2 2.0 !AB 0.911163 1 PHE/PHE 2.67 -6.73e-001 2 0
assign (resid   5 and name    HB2) (resid   6 and name    HB#) 4.0 2.2 2.0 !A 0.954241 2 PHE/ALA 6.18 -2.18e+000 2 0
assign (resid   5 and name    HB2) (resid   6 and name    HN) 4.0 2.2 2.0 !A 0.964003 5 PHE/ALA 3.41 5.88e-001 2 0
assign (resid   5 and name    HB2) (resid   9 and name    HB2) 4.0 2.2 2.0 !A 1.050373 5 PHE/LEU 6.91 -2.91e+000 2 0
assign (resid  5 and name   HB#)  (resid  5 and name   HA)  4.0 2.2 2.0 !PHE PHE 13557.614746094
assign (resid  5 and name   HB#)  (resid  5 and name   HD#)  4.0 2.2 2.0 !PHE PHE 13391.550048828
assign (resid  5 and name   HB#)  (resid  5 and name   HN)  4.0 2.2 2.0 !PHE PHE 13466.159667969
assign (resid  5 and name   HB#)  (resid  6 and name   HN)  4.0 2.2 2.0 !PHE ALA 13008.835327148
assign (resid  5 and name   HD#)  (resid  5 and name   HA)  4.0 2.2 2.0 !PHE PHE 53846.918457031
assign (resid  5 and name   HD#)  (resid  5 and name   HN)  4.0 2.2 2.0 !PHE PHE 53842.622070313
assign (resid   5 and name    HD#) (resid   6 and name    HN) 4.0 2.2 2.0 !TA 0.900136 1 PHE/ALA 4.16 -1.60e-001 0 0
assign (resid   5 and name    HD#) (resid   8 and name    HB1) 4.0 2.2 2.0 !TA 1.094493 1 PHE/MET 6.87 -2.87e+000 0 0
assign (resid   5 and name    HD#) (resid   9 and name    HB1) 4.0 2.2 2.0 !A 1.053380 1 PHE/LEU 6.47 -2.47e+000 0 0
assign (resid   5 and name    HD#) (resid   9 and name   HD#) 4.0 2.2 2.0 !TA 1.098448 2 PHE/LEU 8.59 -4.59e+000 0 0
assign (resid  5 and name   HN)  (resid  2 and name   HA)  4.0 2.2 2.0 !PHE VAL 116624.42578125
assign (resid  5 and name   HN)  (resid  4 and name   HA)  4.0 2.2 2.0 !PHE ALA 119224.8828125
assign (resid  5 and name   HN)  (resid  4 and name   HB#)  4.0 2.2 2.0 !PHE ALA 116011.84179688
assign (resid  5 and name   HN)  (resid  4 and name   HN)  4.0 2.2 2.0 !PHE ALA 122576.72265625
assign (resid  5 and name   HN)  (resid  5 and name   HA)  4.0 2.2 2.0 !PHE PHE 119808.94335938
assign (resid   5 and name    HN) (resid   5 and name    HA) 4.0 2.2 2.0 ! 1.098013 5 PHE/PHE 2.86 1.45e-001 0 0
assign (resid   5 and name    HN) (resid   5 and name    HB1) 4.0 2.2 2.0 !B 1.027464 5 PHE/PHE 2.92 8.22e-002 0 2
assign (resid   5 and name    HN) (resid   5 and name    HB2) 4.0 2.2 2.0 !B 1.027464 5 PHE/PHE 2.25 -2.50e-001 0 2
assign (resid   5 and name    HN) (resid   5 and name    HD#) 4.0 2.2 2.0 !B 0.957284 1 PHE/PHE 4.49 -4.94e-001 0 0
assign (resid   5 and name    HN) (resid   6 and name    HA) 4.0 2.2 2.0 ! 1.074879 5 PHE/ALA 5.45 -1.45e+000 0 0
assign (resid   5 and name    HN) (resid   6 and name    HN) 4.0 2.2 2.0 ! 1.057229 5 PHE/ALA 2.85 1.47e-001 0 0
assign (resid   5 and name    HN) (resid   7 and name    HN) 4.0 2.2 2.0 ! 1.044009 5 PHE/SER 3.75 2.52e-001 0 0
assign (resid   5 and name    HN) (resid   8 and name    HB2) 4.0 2.2 2.0 !T 1.097871 5 PHE/MET 6.40 -2.40e+000 0 0
assign (resid   5 and name    HN) (resid   8 and name    HN) 4.0 2.2 2.0 !T 1.093872 5 PHE/MET 5.22 -1.22e+000 0 0
assign (resid   5 and name    HN) (resid   9 and name    HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/LEU 7.08 -3.08e+000 0 0
assign (resid  6 and name   HA)  (resid  6 and name   HB#)  4.0 2.2 2.0 !ALA ALA 115937.96875
assign (resid   6 and name    HA) (resid   6 and name    HB#) 4.0 2.2 2.0 ! 1.052010 2 ALA/ALA 2.82 1.76e-001 0 0
assign (resid   6 and name    HB#) (resid   7 and name    HN) 4.0 2.2 2.0 ! 1.047444 2 ALA/SER 3.65 3.53e-001 0 0
assign (resid   6 and name    HB#) (resid   8 and name    HN) 4.0 2.2 2.0 !T 1.084779 2 ALA/MET 6.04 -2.04e+000 0 0
assign (resid   6 and name    HB#) (resid   9 and name    HN) 4.0 2.2 2.0 !T 1.098826 2 ALA/LEU 5.57 -1.57e+000 0 0
assign (resid  6 and name   HN)  (resid  3 and name   HA)  4.0 2.2 2.0 !ALA PHE 40412.203369141
assign (resid  6 and name   HN)  (resid  4 and name   HN)  4.0 2.2 2.0 !ALA ALA 41985.551757813
assign (resid  6 and name   HN)  (resid  5 and name   HA)  4.0 2.2 2.0 !ALA PHE 41692.563720703
assign (resid  6 and name   HN)  (resid  5 and name   HN)  4.0 2.2 2.0 !ALA PHE 40890.529296875
assign (resid  6 and name   HN)  (resid  6 and name   HA)  4.0 2.2 2.0 !ALA ALA 40759.669921875
assign (resid  6 and name   HN)  (resid  6 and name   HB#)  4.0 2.2 2.0 !ALA ALA 41486.533203125
assign (resid   6 and name    HN) (resid   7 and name    HN) 4.0 2.2 2.0 ! 1.075992 5 ALA/SER 2.73 2.73e-001 0 0
assign (resid  6 and name   HN)  (resid  7 and name   HN)  4.0 2.2 2.0 !ALA SER 40372.50390625
assign (resid   6 and name    HN) (resid   9 and name    HB1) 4.0 2.2 2.0 ! 1.060943 5 ALA/LEU 5.87 -1.87e+000 0 0
assign (resid   6 and name    HN) (resid   9 and name    HG) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/LEU 6.43 -2.43e+000 0 0
assign (resid   7 and name    HA) (resid   8 and name    HA) 4.0 2.2 2.0 !T 1.099074 5 SER/MET 4.69 -6.91e-001 0 0
assign (resid   7 and name    HA) (resid   8 and name    HG1) 4.0 2.2 2.0 !T 1.098505 5 SER/MET 5.21 -1.21e+000 0 0
assign (resid  7 and name   HA)  (resid  9 and name   HN)  4.0 2.2 2.0 !SER LEU 35448.5859375
assign (resid   7 and name    HB1) (resid  11 and name    HB1) 4.0 2.2 2.0 !TBISPA 1.000000 5 SER/LEU 8.76 -4.76e+000 0 2
assign (resid   7 and name    HB1) (resid  11 and name    HB2) 4.0 2.2 2.0 !TBISPA 1.000000 5 SER/LEU 7.19 -3.19e+000 0 2
assign (resid  7 and name   HB1)  (resid  7 and name   HA)  4.0 2.2 2.0 !SER SER 147619.78125
assign (resid   7 and name    HB1) (resid   8 and name    HN) 4.0 2.2 2.0 ! 0.996836 5 SER/MET 3.45 5.54e-001 0 0
assign (resid  7 and name   HB2)  (resid  7 and name   HA)  4.0 2.2 2.0 !SER SER 22048.260742188
assign (resid   7 and name    HB2) (resid   7 and name    HB1) 4.0 2.2 2.0 !F 1.000000 5 SER/SER 1.78 2.20e-001 0 0
assign (resid  7 and name   HB2)  (resid  7 and name   HB1)  4.0 2.2 2.0 !SER SER 22339.600097656
assign (resid  7 and name   HB2)  (resid  7 and name   HN)  4.0 2.2 2.0 !SER SER 22293.544921875
assign (resid   7 and name    HB2) (resid   8 and name    HA) 4.0 2.2 2.0 !T 1.086784 5 SER/MET 4.86 -8.63e-001 0 0
assign (resid   7 and name    HB2) (resid   8 and name    HB2) 4.0 2.2 2.0 !T 1.095294 5 SER/MET 6.08 -2.08e+000 0 0
assign (resid   7 and name    HB2) (resid   9 and name    HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 SER/LEU 6.88 -2.88e+000 0 0
assign (resid   7 and name    HB2) (resid   9 and name    HN) 4.0 2.2 2.0 ! 1.072077 5 SER/LEU 4.93 -9.33e-001 0 0
assign (resid  7 and name   HN)  (resid  5 and name   HA)  4.0 2.2 2.0 !SER PHE 77751.203125
assign (resid  7 and name   HN)  (resid  6 and name   HB#)  4.0 2.2 2.0 !SER ALA 77122.5703125
assign (resid  7 and name   HN)  (resid  7 and name   HA)  4.0 2.2 2.0 !SER SER 76628.93359375
assign (resid   7 and name    HN) (resid   7 and name    HA) 4.0 2.2 2.0 !T 1.098181 5 SER/SER 2.89 1.13e-001 0 0
assign (resid  7 and name   HN)  (resid  7 and name   HB1)  4.0 2.2 2.0 !SER SER 76826.32421875
assign (resid   7 and name    HN) (resid   7 and name    HB1) 4.0 2.2 2.0 ! 0.997137 5 SER/SER 2.27 -2.70e-001 0 0
assign (resid   7 and name    HN) (resid   7 and name    HB2) 4.0 2.2 2.0 ! 0.995076 5 SER/SER 3.57 4.29e-001 0 0
assign (resid   7 and name    HN) (resid   8 and name    HA) 4.0 2.2 2.0 !T 1.093070 5 SER/MET 5.36 -1.36e+000 0 0
assign (resid   7 and name    HN) (resid   8 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 SER/MET 6.32 -2.32e+000 0 0
assign (resid  7 and name   HN)  (resid  8 and name   HN)  4.0 2.2 2.0 !SER MET 76657.439453125
assign (resid   7 and name    HN) (resid   8 and name    HN) 4.0 2.2 2.0 !T 1.097587 5 SER/MET 2.76 -7.61e-001 0 0
assign (resid   7 and name    HN) (resid   9 and name    HB1) 4.0 2.2 2.0 ! 1.076100 5 SER/LEU 5.24 -1.24e+000 0 0
assign (resid   8 and name    HA) (resid  11 and name    HG) 4.0 2.2 2.0 ! 1.084829 5 MET/LEU 5.10 -1.10e+000 0 0
assign (resid   8 and name    HA) (resid  12 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 5.89 -1.89e+000 0 0
assign (resid   8 and name    HA) (resid  12 and name   HD#) 4.0 2.2 2.0 !TISPA 1.000000 2 MET/LEU 7.33 -4.33e+000 0 0
assign (resid   8 and name    HA) (resid  12 and name    HN) 4.0 2.2 2.0 ! 1.076145 5 MET/LEU 3.66 3.38e-001 0 0
assign (resid   8 and name    HA) (resid   8 and name    HB1) 4.0 2.2 2.0 ! 1.083713 5 MET/MET 2.50 -4.95e-001 0 0
assign (resid   8 and name    HA) (resid   8 and name    HG1) 4.0 2.2 2.0 ! 0.949407 5 MET/MET 2.79 2.09e-001 0 0
assign (resid   8 and name    HA) (resid   8 and name    HG2) 4.0 2.2 2.0 ! 0.953567 5 MET/MET 2.61 -6.07e-001 0 0
assign (resid   8 and name    HA) (resid   9 and name    HN) 4.0 2.2 2.0 !T 1.097518 5 MET/LEU 3.08 -7.84e-002 0 0
assign (resid   8 and name    HB1) (resid  11 and name    HB1) 4.0 2.2 2.0 !B 1.040650 5 MET/LEU 5.36 -1.36e+000 0 2
assign (resid   8 and name    HB1) (resid  11 and name    HB2) 4.0 2.2 2.0 !B 1.040650 5 MET/LEU 4.26 -2.61e-001 0 2
assign (resid   8 and name    HB1) (resid  12 and name    HB1) 4.0 2.2 2.0 !TB 1.095649 5 MET/LEU 5.44 -1.44e+000 0 2
assign (resid   8 and name    HB1) (resid  12 and name    HB2) 4.0 2.2 2.0 !TB 1.095649 5 MET/LEU 4.24 -2.40e-001 0 2
assign (resid   8 and name    HB1) (resid  12 and name    HG) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 6.86 -2.86e+000 0 0
assign (resid   8 and name    HB1) (resid  12 and name    HN) 4.0 2.2 2.0 ! 1.053802 5 MET/LEU 4.41 -4.14e-001 0 0
assign (resid  8 and name   HB1)  (resid  8 and name   HA)  4.0 2.2 2.0 !MET MET 52135.91015625
assign (resid   8 and name    HB1) (resid   8 and name    HG1) 4.0 2.2 2.0 ! 0.991093 5 MET/MET 3.02 -2.30e-002 0 0
assign (resid   8 and name    HB1) (resid   8 and name    HG2) 4.0 2.2 2.0 ! 1.008933 5 MET/MET 2.38 -3.83e-001 0 0
assign (resid  8 and name   HB1)  (resid  8 and name   HG2)  4.0 2.2 2.0 !MET MET 51500.984375
assign (resid  8 and name   HB1)  (resid  8 and name   HN)  4.0 2.2 2.0 !MET MET 51758.59765625
assign (resid   8 and name    HB1) (resid   9 and name    HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 6.75 -2.75e+000 0 0
assign (resid   8 and name    HB1) (resid   9 and name    HB2) 4.0 2.2 2.0 !T 1.096820 5 MET/LEU 5.76 -1.76e+000 0 0
assign (resid   8 and name    HB1) (resid   9 and name   HD#) 4.0 2.2 2.0 !T 1.091528 2 MET/LEU 7.79 -3.79e+000 0 0
assign (resid  8 and name   HB2)  (resid  8 and name   HA)  4.0 2.2 2.0 !MET MET 201121.984375
assign (resid   8 and name    HB2) (resid   8 and name    HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/MET 3.02 9.80e-001 0 0
assign (resid   8 and name    HB2) (resid   9 and name    HB2) 4.0 2.2 2.0 !T 1.090308 5 MET/LEU 4.87 -8.69e-001 0 0
assign (resid   8 and name    HB2) (resid   9 and name    HG) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 7.15 -3.15e+000 0 0
assign (resid   8 and name    HB2) (resid   9 and name    HN) 4.0 2.2 2.0 ! 1.016405 5 MET/LEU 3.77 2.31e-001 0 0
assign (resid  8 and name   HB2)  (resid  9 and name   HN)  4.0 2.2 2.0 !MET LEU 207709.28515625
assign (resid   8 and name    HG1) (resid  11 and name   HD#) 4.0 2.2 2.0 !T 1.086454 2 MET/LEU 6.44 -2.44e+000 0 0
assign (resid   8 and name    HG1) (resid  12 and name    HB2) 4.0 2.2 2.0 !TB 1.095133 5 MET/LEU 7.01 -3.01e+000 0 2
assign (resid  8 and name   HG1)  (resid  8 and name   HA)  4.0 2.2 2.0 !MET MET 27732.959777832
assign (resid  8 and name   HG1)  (resid  8 and name   HB2)  4.0 2.2 2.0 !MET MET 27475.149658203
assign (resid  8 and name   HG1)  (resid  8 and name   HG2)  4.0 2.2 2.0 !MET MET 27242.990234375
assign (resid  8 and name   HG1)  (resid  8 and name   HN)  4.0 2.2 2.0 !MET MET 27452.944580078
assign (resid   8 and name    HG2) (resid  11 and name    HB1) 4.0 2.2 2.0 !B 0.961272 5 MET/LEU 5.26 -1.26e+000 0 2
assign (resid   8 and name    HG2) (resid  11 and name    HB2) 4.0 2.2 2.0 !B 0.961272 5 MET/LEU 4.34 -3.37e-001 0 2
assign (resid   8 and name    HG2) (resid  11 and name   HD#) 4.0 2.2 2.0 !T 1.097671 2 MET/LEU 6.39 -2.39e+000 0 0
assign (resid   8 and name    HG2) (resid  12 and name    HA) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 7.13 -3.13e+000 0 0
assign (resid   8 and name    HG2) (resid  12 and name    HB1) 4.0 2.2 2.0 !TB 1.091711 5 MET/LEU 7.37 -3.37e+000 0 2
assign (resid   8 and name    HG2) (resid  12 and name    HB2) 4.0 2.2 2.0 !TB 1.091711 5 MET/LEU 6.19 -2.19e+000 0 2
assign (resid   8 and name    HG2) (resid  12 and name    HN) 4.0 2.2 2.0 ! 1.070849 5 MET/LEU 5.66 -1.66e+000 0 0
assign (resid  8 and name   HG2)  (resid  8 and name   HA)  4.0 2.2 2.0 !MET MET 39611.579589844
assign (resid  8 and name   HG2)  (resid  8 and name   HB2)  4.0 2.2 2.0 !MET MET 39484.374023438
assign (resid   8 and name    HG2) (resid   8 and name    HG1) 4.0 2.2 2.0 !F 1.000000 5 MET/MET 1.78 2.20e-001 0 0
assign (resid  8 and name   HG2)  (resid  8 and name   HN)  4.0 2.2 2.0 !MET MET 39469.319335938
assign (resid  8 and name   HN)  (resid  10 and name   HN)  4.0 2.2 2.0 !MET CYS 95200.10546875
assign (resid  8 and name   HN)  (resid  6 and name   HB#)  4.0 2.2 2.0 !MET ALA 97530.6015625
assign (resid  8 and name   HN)  (resid  8 and name   HA)  4.0 2.2 2.0 !MET MET 95938.796875
assign (resid   8 and name    HN) (resid   8 and name    HA) 4.0 2.2 2.0 !T 1.099870 5 MET/MET 2.88 -8.80e-001 0 0
assign (resid  8 and name   HN)  (resid  8 and name   HB2)  4.0 2.2 2.0 !MET MET 95295.953125
assign (resid   8 and name    HN) (resid   8 and name    HG1) 4.0 2.2 2.0 !T 0.903738 5 MET/MET 2.30 -2.95e-001 0 0
assign (resid   8 and name    HN) (resid   8 and name    HG2) 4.0 2.2 2.0 ! 0.946957 5 MET/MET 3.69 3.11e-001 0 0
assign (resid   8 and name    HN) (resid   9 and name    HB1) 4.0 2.2 2.0 !T 1.097744 5 MET/LEU 5.32 -1.32e+000 0 0
assign (resid  8 and name   HN)  (resid  9 and name   HN)  4.0 2.2 2.0 !MET LEU 96030.015625
assign (resid   9 and name    HA) (resid   9 and name    HG) 4.0 2.2 2.0 !T 1.098996 5 LEU/LEU 3.61 -6.08e-001 0 0
assign (resid  9 and name   HB1)  (resid  9 and name   HA)  4.0 2.2 2.0 !LEU LEU 38617.213134766
assign (resid  9 and name   HB1)  (resid  9 and name   HB2)  4.0 2.2 2.0 !LEU LEU 37064.565429688
assign (resid  9 and name   HB1)  (resid  9 and name   HD#)  4.0 2.2 2.0 !LEU LEU 38191.705078125
assign (resid  9 and name   HB1)  (resid  9 and name   HG)  4.0 2.2 2.0 !LEU LEU 37164.068969727
assign (resid  9 and name   HB1)  (resid  9 and name   HN)  4.0 2.2 2.0 !LEU LEU 38382.165008545
assign (resid  9 and name   HB2)  (resid  9 and name   HA)  4.0 2.2 2.0 !LEU LEU 48013.12109375
assign (resid   9 and name    HB2) (resid   9 and name    HB1) 4.0 2.2 2.0 !F 1.000000 5 LEU/LEU 1.78 2.20e-001 0 0
assign (resid   9 and name    HB2) (resid   9 and name   HD#) 4.0 2.2 2.0 ! 0.997580 2 LEU/LEU 4.01 -6.10e-003 0 0
assign (resid  9 and name   HB2)  (resid  9 and name   HD#)  4.0 2.2 2.0 !LEU LEU 46237.279296875
assign (resid   9 and name    HB2) (resid   9 and name    HG) 4.0 2.2 2.0 ! 1.053926 5 LEU/LEU 2.50 -5.03e-001 0 0
assign (resid  9 and name   HB2)  (resid  9 and name   HG)  4.0 2.2 2.0 !LEU LEU 46211.483398438
assign (resid  9 and name   HB2)  (resid  9 and name   HN)  4.0 2.2 2.0 !LEU LEU 47568.62890625
assign (resid   9 and name   HD#) (resid  10 and name    HN) 4.0 2.2 2.0 ! 1.045167 2 LEU/CYS 4.29 -2.95e-001 0 0
assign (resid   9 and name   HD#) (resid  12 and name    HB2) 4.0 2.2 2.0 !B 0.941712 2 LEU/LEU 5.74 -1.74e+000 0 2
assign (resid   9 and name   HD#) (resid  13 and name   HD21) 4.0 2.2 2.0 !T 0.916328 2 LEU/ASN 3.48 5.16e-001 0 0
assign (resid   9 and name   HD#) (resid  13 and name   HD22) 4.0 2.2 2.0 !T 0.903489 2 LEU/ASN 2.78 1.22e+000 0 0
assign (resid   9 and name   HD#) (resid  23 and name    HB1) 4.0 2.2 2.0 ! 1.046050 2 LEU/LEU 6.36 -2.36e+000 0 0
assign (resid   9 and name   HD#) (resid  23 and name    HB2) 4.0 2.2 2.0 !ISPAC 1.000000 2 LEU/LEU 7.12 -3.12e+000 0 0
assign (resid   9 and name   HD#) (resid  23 and name   HD1#) 4.0 2.2 2.0 !TISPA 1.000000 2 LEU/LEU 6.25 -4.25e+000 0 0
assign (resid  9 and name   HD#)  (resid  9 and name   HA)  4.0 2.2 2.0 !LEU LEU 82851.893737793
assign (resid  9 and name   HD#)  (resid  9 and name   HN)  4.0 2.2 2.0 !LEU LEU 82127.40234375
assign (resid   9 and name    HG) (resid  13 and name   HD21) 4.0 2.2 2.0 ! 1.060753 5 LEU/ASN 5.70 -1.70e+000 0 0
assign (resid  9 and name   HG)  (resid  9 and name   HA)  4.0 2.2 2.0 !LEU LEU 75244.91015625
assign (resid  9 and name   HG)  (resid  9 and name   HD#)  4.0 2.2 2.0 !LEU LEU 75052.1171875
assign (resid   9 and name    HG) (resid   9 and name   HD#) 4.0 2.2 2.0 !F 1.000000 2 LEU/LEU 2.80 1.96e-001 0 0
assign (resid  9 and name   HG)  (resid  9 and name   HN)  4.0 2.2 2.0 !LEU LEU 75068.650390625
assign (resid  9 and name   HN)  (resid  5 and name   HA)  4.0 2.2 2.0 !LEU PHE 274513.6875
assign (resid  9 and name   HN)  (resid  8 and name   HA)  4.0 2.2 2.0 !LEU MET 273388.5859375
assign (resid  9 and name   HN)  (resid  9 and name   HA)  4.0 2.2 2.0 !LEU LEU 277404.8515625
assign (resid   9 and name    HN) (resid   9 and name    HB1) 4.0 2.2 2.0 ! 1.030674 5 LEU/LEU 2.82 1.82e-001 0 0
assign (resid   9 and name    HN) (resid   9 and name    HB2) 4.0 2.2 2.0 ! 1.056913 5 LEU/LEU 2.51 -5.05e-001 0 0
assign (resid 1 and name o) (resid 5 and name n) 3.0 0.7 0.5
assign (resid 1 and name o) (resid 5 and name hn) 2.5 0.7 0.5
assign (resid 2 and name o) (resid 6 and name n) 3.0 0.7 0.5
assign (resid 2 and name o) (resid 6 and name hn) 2.5 0.7 0.5
assign (resid 3 and name o) (resid 7 and name n) 3.0 0.7 0.5
assign (resid 3 and name o) (resid 7 and name hn) 2.5 0.7 0.5
assign (resid 4 and name o) (resid 8 and name n) 3.0 0.7 0.5
assign (resid 4 and name o) (resid 8 and name hn) 2.5 0.7 0.5
assign (resid 5 and name o) (resid 9 and name n) 3.0 0.7 0.5
assign (resid 5 and name o) (resid 9 and name hn) 2.5 0.7 0.5
assign (resid 6 and name o) (resid 10 and name n) 3.0 0.7 0.5
assign (resid 6 and name o) (resid 10 and name hn) 2.5 0.7 0.5
assign (resid 7 and name o) (resid 11 and name n) 3.0 0.7 0.5
assign (resid 7 and name o) (resid 11 and name hn) 2.5 0.7 0.5
assign (resid 8 and name o) (resid 12 and name n) 3.0 0.7 0.5
assign (resid 8 and name o) (resid 12 and name hn) 2.5 0.7 0.5
assign (resid 9 and name o) (resid 13 and name n) 3.0 0.7 0.5
assign (resid 9 and name o) (resid 13 and name hn) 2.5 0.7 0.5
assign (resid 10 and name o) (resid 14 and name n) 3.0 0.7 0.5
assign (resid 10 and name o) (resid 14 and name hn) 2.5 0.7 0.5
assign (resid 11 and name o) (resid 15 and name n) 3.0 0.7 0.5
assign (resid 11 and name o) (resid 15 and name hn) 2.5 0.7 0.5
assign (resid 12 and name o) (resid 16 and name n) 3.0 0.7 0.5
assign (resid 12 and name o) (resid 16 and name hn) 2.5 0.7 0.5
assign (resid 25 and name o) (resid 29 and name n) 3.0 0.7 0.5
assign (resid 25 and name o) (resid 29 and name hn) 2.5 0.7 0.5
assign (resid 26 and name o) (resid 30 and name n) 3.0 0.7 0.5
assign (resid 26 and name o) (resid 30 and name hn) 2.5 0.7 0.5
assign (resid 27 and name o) (resid 31 and name n) 3.0 0.7 0.5
assign (resid 27 and name o) (resid 31 and name hn) 2.5 0.7 0.5
assign (resid 28 and name o) (resid 32 and name n) 3.0 0.7 0.5
assign (resid 28 and name o) (resid 32 and name hn) 2.5 0.7 0.5
assign (resid 29 and name o) (resid 33 and name n) 3.0 0.7 0.5
assign (resid 29 and name o) (resid 33 and name hn) 2.5 0.7 0.5
assign (resid 30 and name o) (resid 34 and name n) 3.0 0.7 0.5
assign (resid 30 and name o) (resid 34 and name hn) 2.5 0.7 0.5
assign (resid 31 and name o) (resid 35 and name n) 3.0 0.7 0.5
assign (resid 31 and name o) (resid 35 and name hn) 2.5 0.7 0.5
assign (resid 32 and name o) (resid 36 and name n) 3.0 0.7 0.5
assign (resid 32 and name o) (resid 36 and name hn) 2.5 0.7 0.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           HT1      THR   1  19.216  10.659  -6.277
    2    H2   THR   1           HT2      THR   1  20.678  10.319  -7.068
    3    H3   THR   1           HT3      THR   1  20.591  10.251  -5.375
    4    HA   THR   1           HA       THR   1  18.695   8.549  -6.718
    5    HB   THR   1           HB       THR   1  21.384   7.356  -6.748
    6    HG1  THR   1           HG1      THR   1  22.278   8.648  -8.164
    7   HG21  THR   1          HG21      THR   1  19.394   7.624  -9.007
    8   HG22  THR   1          HG22      THR   1  19.163   6.461  -7.701
    9   HG23  THR   1          HG23      THR   1  20.581   6.348  -8.742
   10    H    VAL   2           HN       VAL   2  18.440   9.280  -4.217
   11    HA   VAL   2           HA       VAL   2  19.999   8.136  -2.182
   12    HB   VAL   2           HB       VAL   2  17.711   7.961  -0.952
   13   HG11  VAL   2          HG11      VAL   2  18.997   9.834  -0.408
   14   HG12  VAL   2          HG12      VAL   2  17.547  10.580  -1.076
   15   HG13  VAL   2          HG13      VAL   2  19.002  10.439  -2.064
   16   HG21  VAL   2          HG21      VAL   2  15.821   8.952  -1.991
   17   HG22  VAL   2          HG22      VAL   2  16.489   7.898  -3.236
   18   HG23  VAL   2          HG23      VAL   2  16.790   9.634  -3.296
   19    H    PHE   3           HN       PHE   3  17.707   6.619  -4.373
   20    HA   PHE   3           HA       PHE   3  17.393   4.137  -2.993
   21    HB2  PHE   3           HB2      PHE   3  16.376   5.145  -5.300
   22    HB3  PHE   3           HB1      PHE   3  17.588   4.038  -5.958
   23    HD1  PHE   3           HD1      PHE   3  14.970   4.150  -3.281
   24    HD2  PHE   3           HD2      PHE   3  16.982   1.812  -6.258
   25    HE1  PHE   3           HE1      PHE   3  13.480   2.227  -2.770
   26    HE2  PHE   3           HE2      PHE   3  15.499  -0.114  -5.759
   27    HZ   PHE   3           HZ       PHE   3  13.747   0.092  -4.013
   28    H    ALA   4           HN       ALA   4  19.888   5.349  -5.191
   29    HA   ALA   4           HA       ALA   4  21.394   2.899  -5.377
   30    HB1  ALA   4           HB1      ALA   4  22.433   5.754  -5.478
   31    HB2  ALA   4           HB2      ALA   4  21.772   4.882  -6.864
   32    HB3  ALA   4           HB3      ALA   4  23.252   4.317  -6.090
   33    H    PHE   5           HN       PHE   5  21.364   5.624  -3.138
   34    HA   PHE   5           HA       PHE   5  23.530   4.744  -1.455
   35    HB2  PHE   5           HB2      PHE   5  21.813   6.937  -1.506
   36    HB3  PHE   5           HB1      PHE   5  21.333   6.077  -0.043
   37    HD1  PHE   5           HD1      PHE   5  24.385   7.276  -1.867
   38    HD2  PHE   5           HD2      PHE   5  22.584   6.345   1.926
   39    HE1  PHE   5           HE1      PHE   5  26.385   8.157  -0.699
   40    HE2  PHE   5           HE2      PHE   5  24.588   7.228   3.091
   41    HZ   PHE   5           HZ       PHE   5  26.488   8.134   1.780
   42    H    ALA   6           HN       ALA   6  19.997   4.534  -0.867
   43    HA   ALA   6           HA       ALA   6  20.047   2.768   1.299
   44    HB1  ALA   6           HB1      ALA   6  17.985   3.823   0.360
   45    HB2  ALA   6           HB2      ALA   6  17.791   2.094   0.649
   46    HB3  ALA   6           HB3      ALA   6  18.054   2.688  -0.989
   47    H    SER   7           HN       SER   7  20.280   1.995  -2.160
   48    HA   SER   7           HA       SER   7  20.232  -0.863  -1.809
   49    HB2  SER   7           HB2      SER   7  21.514   0.742  -4.032
   50    HB3  SER   7           HB1      SER   7  21.025  -0.956  -4.106
   51    HG   SER   7           HG       SER   7  19.416   1.388  -3.910
   52    H    MET   8           HN       MET   8  22.976   1.284  -2.634
   53    HA   MET   8           HA       MET   8  25.059  -0.556  -2.247
   54    HB2  MET   8           HB2      MET   8  24.801   2.410  -2.013
   55    HB3  MET   8           HB1      MET   8  26.242   1.666  -1.318
   56    HG2  MET   8           HG2      MET   8  26.575   0.468  -3.527
   57    HG3  MET   8           HG1      MET   8  25.273   1.475  -4.183
   58    HE1  MET   8           HE1      MET   8  25.952   4.255  -2.356
   59    HE2  MET   8           HE2      MET   8  25.176   3.959  -3.908
   60    HE3  MET   8           HE3      MET   8  26.551   5.058  -3.814
   61    H    LEU   9           HN       LEU   9  23.381   1.460   0.100
   62    HA   LEU   9           HA       LEU   9  24.927   0.712   2.376
   63    HB2  LEU   9           HB2      LEU   9  22.387   2.099   1.826
   64    HB3  LEU   9           HB1      LEU   9  22.403   1.231   3.358
   65    HG   LEU   9           HG       LEU   9  23.224   3.580   3.585
   66   HD11  LEU   9          HD11      LEU   9  25.661   1.960   4.075
   67   HD12  LEU   9          HD12      LEU   9  24.168   1.372   4.810
   68   HD13  LEU   9          HD13      LEU   9  24.753   2.994   5.173
   69   HD21  LEU   9          HD21      LEU   9  25.159   4.346   2.494
   70   HD22  LEU   9          HD22      LEU   9  24.337   3.432   1.229
   71   HD23  LEU   9          HD23      LEU   9  25.696   2.715   2.095
   72    H    CYS  10           HN       CYS  10  21.651  -0.398   1.440
   73    HA   CYS  10           HA       CYS  10  21.419  -2.540   3.232
   74    HB2  CYS  10           HB2      CYS  10  20.375  -2.031   0.467
   75    HB3  CYS  10           HB1      CYS  10  20.154  -3.637   1.170
   76    HG   CYS  10           HG       CYS  10  19.299  -1.467   3.121
   77    H    LEU  11           HN       LEU  11  23.222  -2.355   0.212
   78    HA   LEU  11           HA       LEU  11  23.973  -5.202   0.406
   79    HB2  LEU  11           HB2      LEU  11  24.162  -3.063  -1.657
   80    HB3  LEU  11           HB1      LEU  11  25.430  -4.284  -1.677
   81    HG   LEU  11           HG       LEU  11  23.601  -6.043  -1.628
   82   HD11  LEU  11          HD11      LEU  11  21.718  -4.825  -0.820
   83   HD12  LEU  11          HD12      LEU  11  21.369  -5.151  -2.517
   84   HD13  LEU  11          HD13      LEU  11  21.931  -3.555  -2.024
   85   HD21  LEU  11          HD21      LEU  11  24.786  -5.403  -3.707
   86   HD22  LEU  11          HD22      LEU  11  23.604  -4.121  -3.977
   87   HD23  LEU  11          HD23      LEU  11  23.101  -5.811  -4.030
   88    H    LEU  12           HN       LEU  12  26.088  -2.511  -0.496
   89    HA   LEU  12           HA       LEU  12  28.442  -3.593   0.503
   90    HB2  LEU  12           HB2      LEU  12  27.554  -0.950  -0.347
   91    HB3  LEU  12           HB1      LEU  12  28.772  -0.848   0.925
   92    HG   LEU  12           HG       LEU  12  29.121  -2.665  -1.468
   93   HD11  LEU  12          HD11      LEU  12  28.998  -0.646  -2.610
   94   HD12  LEU  12          HD12      LEU  12  30.706  -0.665  -2.171
   95   HD13  LEU  12          HD13      LEU  12  29.563   0.294  -1.229
   96   HD21  LEU  12          HD21      LEU  12  30.530  -2.906   0.637
   97   HD22  LEU  12          HD22      LEU  12  31.174  -1.300   0.296
   98   HD23  LEU  12          HD23      LEU  12  31.439  -2.617  -0.844
   99    H    ASN  13           HN       ASN  13  25.964  -1.842   2.322
  100    HA   ASN  13           HA       ASN  13  27.697  -1.641   4.680
  101    HB2  ASN  13           HB2      ASN  13  25.588  -0.153   3.960
  102    HB3  ASN  13           HB1      ASN  13  24.736  -1.338   4.943
  103   HD21  ASN  13          HD21      ASN  13  27.964   0.218   5.305
  104   HD22  ASN  13          HD22      ASN  13  27.679   0.786   6.896
  105    H    SER  14           HN       SER  14  24.562  -3.237   4.117
  106    HA   SER  14           HA       SER  14  24.621  -4.761   6.471
  107    HB2  SER  14           HB2      SER  14  22.681  -4.407   4.795
  108    HB3  SER  14           HB1      SER  14  23.359  -5.783   3.926
  109    HG   SER  14           HG       SER  14  22.818  -7.097   5.535
  110    H    THR  15           HN       THR  15  26.089  -5.488   3.324
  111    HA   THR  15           HA       THR  15  26.674  -8.226   4.211
  112    HB   THR  15           HB       THR  15  25.954  -7.508   1.835
  113    HG1  THR  15           HG1      THR  15  26.575  -9.575   2.128
  114   HG21  THR  15          HG21      THR  15  28.170  -5.893   1.993
  115   HG22  THR  15          HG22      THR  15  27.385  -6.382   0.495
  116   HG23  THR  15          HG23      THR  15  28.786  -7.272   1.084
  117    H    VAL  16           HN       VAL  16  28.309  -5.199   4.235
  118    HA   VAL  16           HA       VAL  16  30.475  -6.423   5.702
  119    HB   VAL  16           HB       VAL  16  32.185  -5.321   4.007
  120   HG11  VAL  16          HG11      VAL  16  31.653  -7.852   4.754
  121   HG12  VAL  16          HG12      VAL  16  32.838  -7.462   3.509
  122   HG13  VAL  16          HG13      VAL  16  31.211  -7.961   3.051
  123   HG21  VAL  16          HG21      VAL  16  30.398  -6.468   1.941
  124   HG22  VAL  16          HG22      VAL  16  31.542  -5.136   1.822
  125   HG23  VAL  16          HG23      VAL  16  29.961  -4.874   2.553
  126    H    ASN  17           HN       ASN  17  30.027  -4.873   7.286
  127    HA   ASN  17           HA       ASN  17  31.452  -2.441   6.994
  128    HB2  ASN  17           HB2      ASN  17  28.770  -2.318   6.016
  129    HB3  ASN  17           HB1      ASN  17  28.877  -1.326   7.470
  130   HD21  ASN  17          HD21      ASN  17  31.680  -0.669   7.183
  131   HD22  ASN  17          HD22      ASN  17  31.797   0.444   5.886
  132    HA   PRO  18           HA       PRO  18  29.154  -2.436  11.217
  133    HB2  PRO  18           HB2      PRO  18  27.845  -5.037  11.398
  134    HB3  PRO  18           HB1      PRO  18  27.155  -3.425  11.639
  135    HG2  PRO  18           HG2      PRO  18  26.619  -5.075   9.518
  136    HG3  PRO  18           HG1      PRO  18  26.384  -3.316   9.523
  137    HD2  PRO  18           HD2      PRO  18  28.489  -4.940   8.207
  138    HD3  PRO  18           HD1      PRO  18  27.870  -3.330   7.778
  139    H    ILE  19           HN       ILE  19  31.395  -4.014   9.857
  140    HA   ILE  19           HA       ILE  19  32.105  -5.725  12.168
  141    HB   ILE  19           HB       ILE  19  33.350  -5.990   9.435
  142   HG12  ILE  19          HG12      ILE  19  31.357  -8.008   9.844
  143   HG13  ILE  19          HG11      ILE  19  30.584  -6.436  10.036
  144   HG21  ILE  19          HG21      ILE  19  33.748  -8.287  10.198
  145   HG22  ILE  19          HG22      ILE  19  32.856  -7.965  11.685
  146   HG23  ILE  19          HG23      ILE  19  34.383  -7.139  11.377
  147   HD11  ILE  19          HD11      ILE  19  32.168  -7.434   7.659
  148   HD12  ILE  19          HD12      ILE  19  31.724  -5.741   7.871
  149   HD13  ILE  19          HD13      ILE  19  30.469  -6.967   7.704
  150    H    ILE  20           HN       ILE  20  33.785  -4.081   9.486
  151    HA   ILE  20           HA       ILE  20  35.569  -2.784  11.502
  152    HB   ILE  20           HB       ILE  20  36.493  -3.704   8.768
  153   HG12  ILE  20          HG12      ILE  20  37.633  -5.394  10.682
  154   HG13  ILE  20          HG11      ILE  20  35.937  -5.311  11.146
  155   HG21  ILE  20          HG21      ILE  20  37.985  -2.112   9.666
  156   HG22  ILE  20          HG22      ILE  20  38.705  -3.662  10.101
  157   HG23  ILE  20          HG23      ILE  20  37.805  -2.741  11.305
  158   HD11  ILE  20          HD11      ILE  20  37.116  -6.195   8.515
  159   HD12  ILE  20          HD12      ILE  20  35.422  -5.728   8.654
  160   HD13  ILE  20          HD13      ILE  20  36.042  -7.092   9.586
  161    H    TYR  21           HN       TYR  21  35.046  -2.662   7.963
  162    HA   TYR  21           HA       TYR  21  35.749  -0.009   7.588
  163    HB2  TYR  21           HB2      TYR  21  33.415  -1.063   6.024
  164    HB3  TYR  21           HB1      TYR  21  34.784  -0.100   5.487
  165    HD1  TYR  21           HD2      TYR  21  37.160  -1.359   6.162
  166    HD2  TYR  21           HD1      TYR  21  33.423  -3.243   5.178
  167    HE1  TYR  21           HE2      TYR  21  38.373  -3.397   5.452
  168    HE2  TYR  21           HE1      TYR  21  34.639  -5.278   4.465
  169    HH   TYR  21           HH       TYR  21  36.627  -6.208   4.124
  170    H    ALA  22           HN       ALA  22  32.660  -1.195   8.829
  171    HA   ALA  22           HA       ALA  22  30.849  -0.053   9.778
  172    HB1  ALA  22           HB1      ALA  22  32.643   0.886  11.210
  173    HB2  ALA  22           HB2      ALA  22  31.350   2.050  10.927
  174    HB3  ALA  22           HB3      ALA  22  32.870   2.191  10.046
  175    H    LEU  23           HN       LEU  23  32.572   2.592   8.102
  176    HA   LEU  23           HA       LEU  23  30.992   2.761   5.803
  177    HB2  LEU  23           HB2      LEU  23  29.526   3.634   8.121
  178    HB3  LEU  23           HB1      LEU  23  29.867   5.039   7.102
  179    HG   LEU  23           HG       LEU  23  28.802   2.453   5.947
  180   HD11  LEU  23          HD11      LEU  23  27.101   4.849   6.672
  181   HD12  LEU  23          HD12      LEU  23  27.305   3.483   7.767
  182   HD13  LEU  23          HD13      LEU  23  26.570   3.239   6.186
  183   HD21  LEU  23          HD21      LEU  23  29.818   4.763   4.789
  184   HD22  LEU  23          HD22      LEU  23  28.077   5.042   4.757
  185   HD23  LEU  23          HD23      LEU  23  28.754   3.606   3.990
  186    H    ARG  24           HN       ARG  24  32.701   4.387   8.367
  187    HA   ARG  24           HA       ARG  24  33.728   6.540   6.685
  188    HB2  ARG  24           HB2      ARG  24  33.761   6.184   9.364
  189    HB3  ARG  24           HB1      ARG  24  35.326   5.482   8.978
  190    HG2  ARG  24           HG2      ARG  24  34.793   8.035   7.599
  191    HG3  ARG  24           HG1      ARG  24  34.862   8.168   9.356
  192    HD2  ARG  24           HD2      ARG  24  36.984   6.988   7.543
  193    HD3  ARG  24           HD1      ARG  24  37.107   8.470   8.486
  194    HE   ARG  24           HE       ARG  24  37.352   5.728   9.527
  195   HH11  ARG  24          HH21      ARG  24  36.808   9.093  10.163
  196   HH12  ARG  24          HH22      ARG  24  37.310   8.989  11.816
  197   HH21  ARG  24          HH11      ARG  24  38.018   5.593  11.677
  198   HH22  ARG  24          HH12      ARG  24  38.001   7.011  12.672
  199    H    SER  25           HN       SER  25  35.891   6.481   5.787
  200    HA   SER  25           HA       SER  25  37.571   5.494   4.532
  201    HB2  SER  25           HB2      SER  25  38.339   3.166   5.642
  202    HB3  SER  25           HB1      SER  25  38.798   4.745   6.286
  203    HG   SER  25           HG       SER  25  36.418   3.426   7.089
  204    H    LYS  26           HN       LYS  26  34.660   3.627   5.102
  205    HA   LYS  26           HA       LYS  26  34.957   1.399   3.416
  206    HB2  LYS  26           HB2      LYS  26  32.752   3.038   4.331
  207    HB3  LYS  26           HB1      LYS  26  32.521   2.639   2.638
  208    HG2  LYS  26           HG2      LYS  26  33.147   0.593   4.778
  209    HG3  LYS  26           HG1      LYS  26  31.516   0.993   4.244
  210    HD2  LYS  26           HD2      LYS  26  32.042   0.275   1.973
  211    HD3  LYS  26           HD1      LYS  26  33.723  -0.035   2.432
  212    HE2  LYS  26           HE2      LYS  26  32.822  -2.171   2.658
  213    HE3  LYS  26           HE1      LYS  26  32.613  -1.553   4.288
  214    HZ1  LYS  26           HZ1      LYS  26  30.548  -1.607   2.157
  215    HZ2  LYS  26           HZ2      LYS  26  30.348  -0.847   3.667
  216    HZ3  LYS  26           HZ3      LYS  26  30.567  -2.537   3.580
  217    H    ASP  27           HN       ASP  27  34.209   4.737   2.593
  218    HA   ASP  27           HA       ASP  27  33.968   4.778  -0.150
  219    HB2  ASP  27           HB2      ASP  27  34.059   6.770   1.383
  220    HB3  ASP  27           HB1      ASP  27  35.819   6.613   1.382
  221    H    LEU  28           HN       LEU  28  37.069   4.641   1.605
  222    HA   LEU  28           HA       LEU  28  38.567   4.250  -0.887
  223    HB2  LEU  28           HB2      LEU  28  39.349   4.161   2.042
  224    HB3  LEU  28           HB1      LEU  28  40.487   3.821   0.733
  225    HG   LEU  28           HG       LEU  28  38.858   6.369   0.818
  226   HD11  LEU  28          HD11      LEU  28  41.493   5.710   2.131
  227   HD12  LEU  28          HD12      LEU  28  40.095   6.530   2.825
  228   HD13  LEU  28          HD13      LEU  28  41.104   7.357   1.638
  229   HD21  LEU  28          HD21      LEU  28  40.881   7.113  -0.575
  230   HD22  LEU  28          HD22      LEU  28  39.791   5.962  -1.343
  231   HD23  LEU  28          HD23      LEU  28  41.318   5.406  -0.659
  232    H    ARG  29           HN       ARG  29  37.580   2.285   1.898
  233    HA   ARG  29           HA       ARG  29  38.881  -0.096   1.528
  234    HB2  ARG  29           HB2      ARG  29  36.968   0.505   3.128
  235    HB3  ARG  29           HB1      ARG  29  35.882  -0.077   1.864
  236    HG2  ARG  29           HG2      ARG  29  38.122  -1.684   3.134
  237    HG3  ARG  29           HG1      ARG  29  36.418  -1.846   3.524
  238    HD2  ARG  29           HD2      ARG  29  36.540  -3.525   1.974
  239    HD3  ARG  29           HD1      ARG  29  36.271  -2.188   0.854
  240    HE   ARG  29           HE       ARG  29  38.557  -2.321   0.184
  241   HH11  ARG  29          HH21      ARG  29  37.820  -4.340   2.917
  242   HH12  ARG  29          HH22      ARG  29  39.347  -5.151   2.887
  243   HH21  ARG  29          HH11      ARG  29  40.544  -3.385   0.157
  244   HH22  ARG  29          HH12      ARG  29  40.880  -4.618   1.323
  245    H    HIS  30           HN       HIS  30  35.684   0.389  -0.051
  246    HA   HIS  30           HA       HIS  30  36.166  -1.874  -1.775
  247    HB2  HIS  30           HB2      HIS  30  34.094  -1.120  -2.967
  248    HB3  HIS  30           HB1      HIS  30  33.886  -1.355  -1.225
  249    HD1  HIS  30           HD1      HIS  30  33.966   1.291  -3.877
  250    HD2  HIS  30           HD2      HIS  30  33.523   1.088   0.277
  251    HE1  HIS  30           HE1      HIS  30  33.160   3.572  -3.126
  252    HE2  HIS  30           HE2      HIS  30  32.872   3.455  -0.610
  253    H    ALA  31           HN       ALA  31  36.116   1.653  -2.382
  254    HA   ALA  31           HA       ALA  31  36.735   1.649  -5.122
  255    HB1  ALA  31           HB1      ALA  31  37.999   3.749  -4.691
  256    HB2  ALA  31           HB2      ALA  31  37.904   3.428  -2.959
  257    HB3  ALA  31           HB3      ALA  31  36.434   3.744  -3.882
  258    H    PHE  32           HN       PHE  32  38.934   1.317  -2.375
  259    HA   PHE  32           HA       PHE  32  41.336   0.886  -3.737
  260    HB2  PHE  32           HB2      PHE  32  40.682   0.836  -1.187
  261    HB3  PHE  32           HB1      PHE  32  40.567  -0.896  -1.464
  262    HD1  PHE  32           HD2      PHE  32  42.827  -1.137  -3.517
  263    HD2  PHE  32           HD1      PHE  32  42.527   0.961   0.225
  264    HE1  PHE  32           HE2      PHE  32  45.285  -1.276  -3.248
  265    HE2  PHE  32           HE1      PHE  32  44.994   0.822   0.491
  266    HZ   PHE  32           HZ       PHE  32  46.371  -0.296  -1.243
  267    H    ARG  33           HN       ARG  33  38.865  -1.516  -2.851
  268    HA   ARG  33           HA       ARG  33  40.050  -3.570  -4.571
  269    HB2  ARG  33           HB2      ARG  33  37.430  -3.419  -3.060
  270    HB3  ARG  33           HB1      ARG  33  37.969  -4.841  -3.946
  271    HG2  ARG  33           HG2      ARG  33  39.722  -3.556  -1.861
  272    HG3  ARG  33           HG1      ARG  33  38.481  -4.721  -1.390
  273    HD2  ARG  33           HD2      ARG  33  41.104  -5.212  -2.526
  274    HD3  ARG  33           HD1      ARG  33  39.949  -6.379  -1.892
  275    HE   ARG  33           HE       ARG  33  40.258  -5.596  -4.729
  276   HH11  ARG  33          HH21      ARG  33  38.472  -7.248  -2.264
  277   HH12  ARG  33          HH22      ARG  33  37.635  -8.277  -3.374
  278   HH21  ARG  33          HH11      ARG  33  39.167  -6.934  -6.193
  279   HH22  ARG  33          HH12      ARG  33  38.028  -8.100  -5.603
  280    H    SER  34           HN       SER  34  39.036  -0.928  -5.679
  281    HA   SER  34           HA       SER  34  37.627  -2.043  -7.979
  282    HB2  SER  34           HB2      SER  34  36.229  -0.509  -5.818
  283    HB3  SER  34           HB1      SER  34  35.664  -0.412  -7.487
  284    HG   SER  34           HG       SER  34  36.221  -2.892  -6.247
  285    H    MET  35           HN       MET  35  39.819   0.040  -6.868
  286    HA   MET  35           HA       MET  35  39.561   1.955  -9.094
  287    HB2  MET  35           HB2      MET  35  39.005   2.628  -6.215
  288    HB3  MET  35           HB1      MET  35  39.847   3.812  -7.212
  289    HG2  MET  35           HG2      MET  35  37.169   2.559  -7.870
  290    HG3  MET  35           HG1      MET  35  37.411   4.193  -7.245
  291    HE1  MET  35           HE1      MET  35  36.248   2.554  -9.783
  292    HE2  MET  35           HE2      MET  35  37.663   1.941 -10.633
  293    HE3  MET  35           HE3      MET  35  36.738   3.271 -11.323
  294    H    PHE  36           HN       PHE  36  41.138   1.543  -5.908
  295    HA   PHE  36           HA       PHE  36  43.291   3.126  -6.255
  296    HB2  PHE  36           HB2      PHE  36  42.780   1.580  -4.272
  297    HB3  PHE  36           HB1      PHE  36  43.814   0.402  -5.093
  298    HD1  PHE  36           HD1      PHE  36  43.767   4.032  -4.115
  299    HD2  PHE  36           HD2      PHE  36  46.119   0.471  -4.653
  300    HE1  PHE  36           HE1      PHE  36  45.761   5.218  -3.242
  301    HE2  PHE  36           HE2      PHE  36  48.110   1.661  -3.773
  302    HZ   PHE  36           HZ       PHE  36  47.931   4.033  -3.070
  303    HA   PRO  37           HA       PRO  37  45.414   1.237  -9.754
  304    HB2  PRO  37           HB2      PRO  37  46.952   3.333 -10.369
  305    HB3  PRO  37           HB1      PRO  37  45.191   3.429 -10.611
  306    HG2  PRO  37           HG2      PRO  37  46.836   4.468  -8.335
  307    HG3  PRO  37           HG1      PRO  37  45.571   5.272  -9.257
  308    HD2  PRO  37           HD2      PRO  37  45.102   4.092  -6.830
  309    HD3  PRO  37           HD1      PRO  37  43.851   4.246  -8.088
  310    H    SER  38           HN       SER  38  46.827   2.745  -6.910
  311    HA   SER  38           HA       SER  38  48.789   2.242  -5.726
  312    HB2  SER  38           HB2      SER  38  47.897  -0.149  -7.031
  313    HB3  SER  38           HB1      SER  38  49.665  -0.127  -7.025
  314    HG   SER  38           HG       SER  38  48.786  -1.048  -5.109
  315    H    ALA  39           HN       ALA  39  48.741   3.698  -8.354
  316    HA   ALA  39           HA       ALA  39  51.136   3.071  -9.825
  317    HB1  ALA  39           HB1      ALA  39  50.910   5.439 -10.655
  318    HB2  ALA  39           HB2      ALA  39  49.569   5.654  -9.530
  319    HB3  ALA  39           HB3      ALA  39  49.443   4.478 -10.840
  320    H    GLU  40           HN       GLU  40  50.434   5.472  -7.283
  321    HA   GLU  40           HA       GLU  40  53.362   5.556  -6.688
  322    HB2  GLU  40           HB2      GLU  40  51.796   7.923  -5.887
  323    HB3  GLU  40           HB1      GLU  40  53.362   7.832  -6.688
  324    HG2  GLU  40           HG2      GLU  40  51.965   7.047  -8.763
  325    HG3  GLU  40           HG1      GLU  40  50.615   7.797  -7.909
  Start of MODEL    2
    1    H1   THR   1           HT1      THR   1  17.803   8.741  -8.962
    2    H2   THR   1           HT2      THR   1  18.502   8.959  -7.430
    3    H3   THR   1           HT3      THR   1  16.818   8.795  -7.585
    4    HA   THR   1           HA       THR   1  16.900   6.558  -7.910
    5    HB   THR   1           HB       THR   1  19.830   6.651  -8.616
    6    HG1  THR   1           HG1      THR   1  17.599   7.060 -10.338
    7   HG21  THR   1          HG21      THR   1  17.761   4.859  -9.842
    8   HG22  THR   1          HG22      THR   1  18.301   4.521  -8.199
    9   HG23  THR   1          HG23      THR   1  19.466   4.540  -9.524
   10    H    VAL   2           HN       VAL   2  17.839   8.433  -5.675
   11    HA   VAL   2           HA       VAL   2  19.912   7.332  -4.152
   12    HB   VAL   2           HB       VAL   2  17.286   8.361  -3.027
   13   HG11  VAL   2          HG11      VAL   2  20.100   8.072  -1.958
   14   HG12  VAL   2          HG12      VAL   2  18.604   7.439  -1.271
   15   HG13  VAL   2          HG13      VAL   2  18.932   9.171  -1.225
   16   HG21  VAL   2          HG21      VAL   2  19.477  10.271  -3.125
   17   HG22  VAL   2          HG22      VAL   2  17.833  10.436  -3.739
   18   HG23  VAL   2          HG23      VAL   2  19.079   9.698  -4.743
   19    H    PHE   3           HN       PHE   3  16.600   6.151  -4.573
   20    HA   PHE   3           HA       PHE   3  16.505   4.284  -2.464
   21    HB2  PHE   3           HB2      PHE   3  14.660   3.398  -3.513
   22    HB3  PHE   3           HB1      PHE   3  14.784   4.895  -4.438
   23    HD1  PHE   3           HD1      PHE   3  15.868   4.877  -6.701
   24    HD2  PHE   3           HD2      PHE   3  15.087   1.266  -4.511
   25    HE1  PHE   3           HE1      PHE   3  16.150   3.556  -8.781
   26    HE2  PHE   3           HE2      PHE   3  15.370  -0.055  -6.590
   27    HZ   PHE   3           HZ       PHE   3  15.898   1.086  -8.725
   28    H    ALA   4           HN       ALA   4  17.931   3.917  -5.708
   29    HA   ALA   4           HA       ALA   4  18.878   1.239  -5.371
   30    HB1  ALA   4           HB1      ALA   4  20.575   1.857  -7.094
   31    HB2  ALA   4           HB2      ALA   4  20.081   3.542  -6.943
   32    HB3  ALA   4           HB3      ALA   4  18.944   2.344  -7.561
   33    H    PHE   5           HN       PHE   5  20.199   4.390  -4.482
   34    HA   PHE   5           HA       PHE   5  22.699   3.415  -3.414
   35    HB2  PHE   5           HB2      PHE   5  21.904   5.869  -3.989
   36    HB3  PHE   5           HB1      PHE   5  21.324   5.858  -2.324
   37    HD1  PHE   5           HD2      PHE   5  24.379   4.721  -4.216
   38    HD2  PHE   5           HD1      PHE   5  22.799   6.695  -0.734
   39    HE1  PHE   5           HE2      PHE   5  26.683   5.157  -3.416
   40    HE2  PHE   5           HE1      PHE   5  25.106   7.129   0.061
   41    HZ   PHE   5           HZ       PHE   5  27.049   6.361  -1.277
   42    H    ALA   6           HN       ALA   6  19.875   4.685  -1.621
   43    HA   ALA   6           HA       ALA   6  20.425   3.816   0.930
   44    HB1  ALA   6           HB1      ALA   6  18.111   3.885   1.380
   45    HB2  ALA   6           HB2      ALA   6  17.687   3.321  -0.235
   46    HB3  ALA   6           HB3      ALA   6  18.289   4.962  -0.004
   47    H    SER   7           HN       SER   7  19.306   1.818  -1.764
   48    HA   SER   7           HA       SER   7  18.859  -0.585  -0.258
   49    HB2  SER   7           HB2      SER   7  19.757  -0.359  -3.142
   50    HB3  SER   7           HB1      SER   7  18.897  -1.713  -2.397
   51    HG   SER   7           HG       SER   7  17.980   0.942  -2.891
   52    H    MET   8           HN       MET   8  21.630   0.272  -2.367
   53    HA   MET   8           HA       MET   8  23.370  -1.798  -1.455
   54    HB2  MET   8           HB2      MET   8  23.672   0.803  -2.860
   55    HB3  MET   8           HB1      MET   8  25.109   0.207  -2.030
   56    HG2  MET   8           HG2      MET   8  24.819  -1.986  -3.201
   57    HG3  MET   8           HG1      MET   8  23.473  -1.279  -4.108
   58    HE1  MET   8           HE1      MET   8  23.841   1.292  -4.792
   59    HE2  MET   8           HE2      MET   8  23.828   0.330  -6.268
   60    HE3  MET   8           HE3      MET   8  25.034   1.598  -6.061
   61    H    LEU   9           HN       LEU   9  22.761   1.466  -0.290
   62    HA   LEU   9           HA       LEU   9  24.710   1.686   1.718
   63    HB2  LEU   9           HB2      LEU   9  22.495   3.153   0.910
   64    HB3  LEU   9           HB1      LEU   9  22.051   2.637   2.539
   65    HG   LEU   9           HG       LEU   9  24.709   3.932   1.871
   66   HD11  LEU   9          HD11      LEU   9  22.077   5.127   2.742
   67   HD12  LEU   9          HD12      LEU   9  23.113   5.624   1.403
   68   HD13  LEU   9          HD13      LEU   9  23.612   5.930   3.067
   69   HD21  LEU   9          HD21      LEU   9  24.867   2.729   3.922
   70   HD22  LEU   9          HD22      LEU   9  23.245   3.211   4.418
   71   HD23  LEU   9          HD23      LEU   9  24.550   4.397   4.401
   72    H    CYS  10           HN       CYS  10  21.353   0.477   2.111
   73    HA   CYS  10           HA       CYS  10  21.684  -0.483   4.763
   74    HB2  CYS  10           HB2      CYS  10  19.465  -0.372   3.867
   75    HB3  CYS  10           HB1      CYS  10  19.889  -1.416   2.506
   76    HG   CYS  10           HG       CYS  10  19.003  -3.196   4.014
   77    H    LEU  11           HN       LEU  11  22.030  -2.236   1.669
   78    HA   LEU  11           HA       LEU  11  22.833  -4.717   2.818
   79    HB2  LEU  11           HB2      LEU  11  22.201  -4.108   0.347
   80    HB3  LEU  11           HB1      LEU  11  23.919  -3.754   0.177
   81    HG   LEU  11           HG       LEU  11  24.198  -6.120   1.339
   82   HD11  LEU  11          HD11      LEU  11  22.065  -7.277  -0.105
   83   HD12  LEU  11          HD12      LEU  11  21.355  -5.960   0.828
   84   HD13  LEU  11          HD13      LEU  11  22.265  -7.228   1.646
   85   HD21  LEU  11          HD21      LEU  11  25.011  -5.558  -0.907
   86   HD22  LEU  11          HD22      LEU  11  23.385  -5.746  -1.560
   87   HD23  LEU  11          HD23      LEU  11  24.245  -7.146  -0.923
   88    H    LEU  12           HN       LEU  12  25.003  -2.489   1.076
   89    HA   LEU  12           HA       LEU  12  27.414  -3.586   1.962
   90    HB2  LEU  12           HB2      LEU  12  26.604  -0.850   1.032
   91    HB3  LEU  12           HB1      LEU  12  28.231  -1.086   1.662
   92    HG   LEU  12           HG       LEU  12  27.090  -2.937  -0.431
   93   HD11  LEU  12          HD11      LEU  12  28.157  -1.558  -2.154
   94   HD12  LEU  12          HD12      LEU  12  28.640  -0.379  -0.935
   95   HD13  LEU  12          HD13      LEU  12  26.931  -0.621  -1.297
   96   HD21  LEU  12          HD21      LEU  12  29.967  -2.117  -0.120
   97   HD22  LEU  12          HD22      LEU  12  29.297  -3.627  -0.732
   98   HD23  LEU  12          HD23      LEU  12  29.279  -3.296   0.999
   99    H    ASN  13           HN       ASN  13  25.382  -1.155   3.585
  100    HA   ASN  13           HA       ASN  13  27.319  -0.639   5.674
  101    HB2  ASN  13           HB2      ASN  13  25.405   0.902   5.065
  102    HB3  ASN  13           HB1      ASN  13  24.330  -0.237   5.869
  103   HD21  ASN  13          HD21      ASN  13  27.467   1.419   6.588
  104   HD22  ASN  13          HD22      ASN  13  27.068   1.769   8.216
  105    H    SER  14           HN       SER  14  24.446  -2.697   5.437
  106    HA   SER  14           HA       SER  14  24.713  -3.662   8.157
  107    HB2  SER  14           HB2      SER  14  22.528  -3.632   7.067
  108    HB3  SER  14           HB1      SER  14  23.126  -4.678   5.780
  109    HG   SER  14           HG       SER  14  23.693  -5.934   7.994
  110    H    THR  15           HN       THR  15  26.487  -4.260   5.388
  111    HA   THR  15           HA       THR  15  27.184  -7.017   6.316
  112    HB   THR  15           HB       THR  15  28.043  -7.286   3.943
  113    HG1  THR  15           HG1      THR  15  26.435  -5.032   3.399
  114   HG21  THR  15          HG21      THR  15  25.109  -6.667   4.383
  115   HG22  THR  15          HG22      THR  15  25.893  -8.236   4.561
  116   HG23  THR  15          HG23      THR  15  25.746  -7.501   2.965
  117    H    VAL  16           HN       VAL  16  28.962  -5.094   4.048
  118    HA   VAL  16           HA       VAL  16  31.353  -5.321   5.790
  119    HB   VAL  16           HB       VAL  16  31.517  -4.181   3.064
  120   HG11  VAL  16          HG11      VAL  16  33.098  -6.560   3.859
  121   HG12  VAL  16          HG12      VAL  16  33.339  -5.137   4.870
  122   HG13  VAL  16          HG13      VAL  16  33.636  -5.046   3.133
  123   HG21  VAL  16          HG21      VAL  16  29.881  -5.849   2.557
  124   HG22  VAL  16          HG22      VAL  16  30.645  -7.028   3.623
  125   HG23  VAL  16          HG23      VAL  16  31.432  -6.561   2.117
  126    H    ASN  17           HN       ASN  17  30.675  -3.563   7.223
  127    HA   ASN  17           HA       ASN  17  31.643  -1.015   6.190
  128    HB2  ASN  17           HB2      ASN  17  28.800  -1.610   6.306
  129    HB3  ASN  17           HB1      ASN  17  29.208  -0.202   7.293
  130   HD21  ASN  17          HD21      ASN  17  31.385   0.794   5.824
  131   HD22  ASN  17          HD22      ASN  17  30.802   1.360   4.317
  132    HA   PRO  18           HA       PRO  18  30.765  -0.593  10.867
  133    HB2  PRO  18           HB2      PRO  18  30.159  -3.256  11.869
  134    HB3  PRO  18           HB1      PRO  18  29.217  -1.767  12.029
  135    HG2  PRO  18           HG2      PRO  18  28.541  -3.939  10.491
  136    HG3  PRO  18           HG1      PRO  18  27.874  -2.305  10.308
  137    HD2  PRO  18           HD2      PRO  18  29.846  -3.745   8.630
  138    HD3  PRO  18           HD1      PRO  18  28.776  -2.393   8.200
  139    H    ILE  19           HN       ILE  19  32.956  -1.526   9.262
  140    HA   ILE  19           HA       ILE  19  34.540  -2.911  11.339
  141    HB   ILE  19           HB       ILE  19  34.974  -3.307   8.378
  142   HG12  ILE  19          HG12      ILE  19  33.841  -5.632   9.614
  143   HG13  ILE  19          HG11      ILE  19  32.778  -4.271   9.954
  144   HG21  ILE  19          HG21      ILE  19  35.736  -5.561   9.879
  145   HG22  ILE  19          HG22      ILE  19  36.276  -4.178  10.827
  146   HG23  ILE  19          HG23      ILE  19  36.810  -4.365   9.159
  147   HD11  ILE  19          HD11      ILE  19  32.973  -3.702   7.457
  148   HD12  ILE  19          HD12      ILE  19  32.027  -5.132   7.878
  149   HD13  ILE  19          HD13      ILE  19  33.673  -5.312   7.268
  150    H    ILE  20           HN       ILE  20  35.365  -1.537   8.166
  151    HA   ILE  20           HA       ILE  20  37.154   0.398   9.579
  152    HB   ILE  20           HB       ILE  20  37.931  -0.298   6.824
  153   HG12  ILE  20          HG12      ILE  20  39.073  -2.452   7.876
  154   HG13  ILE  20          HG11      ILE  20  37.666  -2.419   8.935
  155   HG21  ILE  20          HG21      ILE  20  40.115  -0.186   7.742
  156   HG22  ILE  20          HG22      ILE  20  39.532  -0.496   9.377
  157   HG23  ILE  20          HG23      ILE  20  39.194   1.050   8.597
  158   HD11  ILE  20          HD11      ILE  20  36.336  -2.120   6.685
  159   HD12  ILE  20          HD12      ILE  20  36.889  -3.724   7.161
  160   HD13  ILE  20          HD13      ILE  20  37.792  -2.801   5.962
  161    H    TYR  21           HN       TYR  21  35.898  -0.123   6.260
  162    HA   TYR  21           HA       TYR  21  35.588   2.719   5.813
  163    HB2  TYR  21           HB2      TYR  21  33.955   1.484   3.938
  164    HB3  TYR  21           HB1      TYR  21  35.651   1.893   3.709
  165    HD1  TYR  21           HD2      TYR  21  33.329  -0.794   4.793
  166    HD2  TYR  21           HD1      TYR  21  37.333   0.199   3.604
  167    HE1  TYR  21           HE2      TYR  21  33.860  -3.200   4.576
  168    HE2  TYR  21           HE1      TYR  21  37.869  -2.210   3.386
  169    HH   TYR  21           HH       TYR  21  36.964  -4.397   4.364
  170    H    ALA  22           HN       ALA  22  34.381   2.325   8.169
  171    HA   ALA  22           HA       ALA  22  31.926   1.569   8.773
  172    HB1  ALA  22           HB1      ALA  22  33.169   4.256   9.112
  173    HB2  ALA  22           HB2      ALA  22  32.685   3.078  10.331
  174    HB3  ALA  22           HB3      ALA  22  31.467   4.075   9.539
  175    H    LEU  23           HN       LEU  23  32.171   4.614   6.906
  176    HA   LEU  23           HA       LEU  23  29.954   3.781   5.176
  177    HB2  LEU  23           HB2      LEU  23  29.591   5.674   7.457
  178    HB3  LEU  23           HB1      LEU  23  28.840   6.122   5.923
  179    HG   LEU  23           HG       LEU  23  28.470   3.444   7.291
  180   HD11  LEU  23          HD11      LEU  23  26.066   4.997   7.137
  181   HD12  LEU  23          HD12      LEU  23  27.310   5.985   7.901
  182   HD13  LEU  23          HD13      LEU  23  26.896   4.412   8.578
  183   HD21  LEU  23          HD21      LEU  23  26.424   3.548   5.638
  184   HD22  LEU  23          HD22      LEU  23  28.008   3.075   5.024
  185   HD23  LEU  23          HD23      LEU  23  27.421   4.721   4.778
  186    H    ARG  24           HN       ARG  24  31.083   6.973   6.268
  187    HA   ARG  24           HA       ARG  24  31.315   8.080   3.679
  188    HB2  ARG  24           HB2      ARG  24  33.078   9.601   4.852
  189    HB3  ARG  24           HB1      ARG  24  31.414   9.649   5.433
  190    HG2  ARG  24           HG2      ARG  24  31.911   8.342   7.336
  191    HG3  ARG  24           HG1      ARG  24  33.422   7.749   6.649
  192    HD2  ARG  24           HD2      ARG  24  33.535   9.622   8.467
  193    HD3  ARG  24           HD1      ARG  24  34.548   9.773   7.032
  194    HE   ARG  24           HE       ARG  24  33.202  11.594   6.308
  195   HH11  ARG  24          HH21      ARG  24  31.793   9.874   8.963
  196   HH12  ARG  24          HH22      ARG  24  30.565  11.062   9.246
  197   HH21  ARG  24          HH11      ARG  24  31.603  13.131   6.662
  198   HH22  ARG  24          HH12      ARG  24  30.463  12.914   7.951
  199    H    SER  25           HN       SER  25  33.659   6.308   5.649
  200    HA   SER  25           HA       SER  25  35.848   6.646   3.815
  201    HB2  SER  25           HB2      SER  25  36.533   4.423   5.184
  202    HB3  SER  25           HB1      SER  25  36.678   6.052   5.860
  203    HG   SER  25           HG       SER  25  35.474   5.042   7.342
  204    H    LYS  26           HN       LYS  26  33.003   4.810   3.528
  205    HA   LYS  26           HA       LYS  26  33.868   2.388   2.363
  206    HB2  LYS  26           HB2      LYS  26  31.478   4.102   2.042
  207    HB3  LYS  26           HB1      LYS  26  31.829   3.049   0.678
  208    HG2  LYS  26           HG2      LYS  26  32.030   1.850   3.391
  209    HG3  LYS  26           HG1      LYS  26  30.409   2.210   2.788
  210    HD2  LYS  26           HD2      LYS  26  30.569   0.670   1.068
  211    HD3  LYS  26           HD1      LYS  26  32.328   0.815   0.966
  212    HE2  LYS  26           HE2      LYS  26  32.420  -1.104   2.164
  213    HE3  LYS  26           HE1      LYS  26  31.931  -0.131   3.537
  214    HZ1  LYS  26           HZ1      LYS  26  29.613  -0.585   3.030
  215    HZ2  LYS  26           HZ2      LYS  26  30.483  -2.030   3.275
  216    HZ3  LYS  26           HZ3      LYS  26  30.077  -1.539   1.696
  217    H    ASP  27           HN       ASP  27  34.022   5.639   1.169
  218    HA   ASP  27           HA       ASP  27  34.516   5.107  -1.567
  219    HB2  ASP  27           HB2      ASP  27  34.386   7.389  -0.269
  220    HB3  ASP  27           HB1      ASP  27  36.137   7.179  -0.134
  221    H    LEU  28           HN       LEU  28  36.625   4.898   1.245
  222    HA   LEU  28           HA       LEU  28  39.006   4.225  -0.292
  223    HB2  LEU  28           HB2      LEU  28  38.282   4.568   2.523
  224    HB3  LEU  28           HB1      LEU  28  39.339   3.175   2.275
  225    HG   LEU  28           HG       LEU  28  40.419   5.210   0.652
  226   HD11  LEU  28          HD11      LEU  28  39.035   6.841   1.909
  227   HD12  LEU  28          HD12      LEU  28  40.755   7.060   2.233
  228   HD13  LEU  28          HD13      LEU  28  39.732   6.249   3.419
  229   HD21  LEU  28          HD21      LEU  28  41.214   4.235   3.416
  230   HD22  LEU  28          HD22      LEU  28  42.275   5.107   2.311
  231   HD23  LEU  28          HD23      LEU  28  41.688   3.499   1.884
  232    H    ARG  29           HN       ARG  29  36.156   2.548   0.393
  233    HA   ARG  29           HA       ARG  29  37.446  -0.091   0.615
  234    HB2  ARG  29           HB2      ARG  29  35.498  -0.081   1.856
  235    HB3  ARG  29           HB1      ARG  29  34.632   0.939   0.723
  236    HG2  ARG  29           HG2      ARG  29  33.596  -1.089   0.309
  237    HG3  ARG  29           HG1      ARG  29  34.899  -1.185  -0.867
  238    HD2  ARG  29           HD2      ARG  29  36.140  -2.189   1.343
  239    HD3  ARG  29           HD1      ARG  29  34.483  -2.731   1.618
  240    HE   ARG  29           HE       ARG  29  35.242  -3.274  -1.104
  241   HH11  ARG  29          HH21      ARG  29  35.794  -4.285   2.179
  242   HH12  ARG  29          HH22      ARG  29  36.100  -5.933   1.741
  243   HH21  ARG  29          HH11      ARG  29  35.620  -5.424  -1.658
  244   HH22  ARG  29          HH12      ARG  29  35.994  -6.580  -0.420
  245    H    HIS  30           HN       HIS  30  35.067   1.325  -1.659
  246    HA   HIS  30           HA       HIS  30  35.687  -0.703  -3.633
  247    HB2  HIS  30           HB2      HIS  30  34.153   0.464  -5.080
  248    HB3  HIS  30           HB1      HIS  30  33.458   0.458  -3.454
  249    HD1  HIS  30           HD1      HIS  30  34.441   2.689  -6.169
  250    HD2  HIS  30           HD2      HIS  30  33.950   3.054  -2.016
  251    HE1  HIS  30           HE1      HIS  30  34.313   5.172  -5.675
  252    HE2  HIS  30           HE2      HIS  30  34.050   5.424  -3.167
  253    H    ALA  31           HN       ALA  31  36.301   2.843  -3.523
  254    HA   ALA  31           HA       ALA  31  37.889   3.097  -5.809
  255    HB1  ALA  31           HB1      ALA  31  38.772   4.363  -3.220
  256    HB2  ALA  31           HB2      ALA  31  37.271   4.872  -3.994
  257    HB3  ALA  31           HB3      ALA  31  38.803   5.038  -4.848
  258    H    PHE  32           HN       PHE  32  38.730   1.758  -2.676
  259    HA   PHE  32           HA       PHE  32  41.498   1.167  -3.320
  260    HB2  PHE  32           HB2      PHE  32  40.763   1.217  -1.029
  261    HB3  PHE  32           HB1      PHE  32  39.476   0.083  -1.377
  262    HD1  PHE  32           HD1      PHE  32  43.111  -0.027  -2.295
  263    HD2  PHE  32           HD2      PHE  32  39.904  -1.816  -0.075
  264    HE1  PHE  32           HE1      PHE  32  44.608  -1.887  -1.638
  265    HE2  PHE  32           HE2      PHE  32  41.402  -3.682   0.584
  266    HZ   PHE  32           HZ       PHE  32  43.756  -3.715  -0.197
  267    H    ARG  33           HN       ARG  33  38.691  -0.997  -2.961
  268    HA   ARG  33           HA       ARG  33  39.888  -3.041  -4.647
  269    HB2  ARG  33           HB2      ARG  33  37.031  -2.792  -3.704
  270    HB3  ARG  33           HB1      ARG  33  37.839  -4.268  -4.232
  271    HG2  ARG  33           HG2      ARG  33  39.043  -2.687  -1.991
  272    HG3  ARG  33           HG1      ARG  33  37.623  -3.676  -1.647
  273    HD2  ARG  33           HD2      ARG  33  40.062  -4.706  -1.422
  274    HD3  ARG  33           HD1      ARG  33  38.733  -5.670  -2.054
  275    HE   ARG  33           HE       ARG  33  39.712  -5.558  -4.229
  276   HH11  ARG  33          HH21      ARG  33  41.264  -3.464  -1.963
  277   HH12  ARG  33          HH22      ARG  33  42.690  -3.256  -2.917
  278   HH21  ARG  33          HH11      ARG  33  41.569  -5.297  -5.497
  279   HH22  ARG  33          HH12      ARG  33  42.868  -4.304  -4.926
  280    H    SER  34           HN       SER  34  39.977  -0.881  -6.181
  281    HA   SER  34           HA       SER  34  38.638  -1.631  -8.567
  282    HB2  SER  34           HB2      SER  34  37.300   0.509  -6.919
  283    HB3  SER  34           HB1      SER  34  37.180   0.529  -8.682
  284    HG   SER  34           HG       SER  34  36.653  -1.832  -7.213
  285    H    MET  35           HN       MET  35  40.120   0.849  -6.601
  286    HA   MET  35           HA       MET  35  41.451   1.980  -9.027
  287    HB2  MET  35           HB2      MET  35  40.540   3.509  -6.559
  288    HB3  MET  35           HB1      MET  35  41.271   4.201  -8.018
  289    HG2  MET  35           HG2      MET  35  38.907   2.552  -8.600
  290    HG3  MET  35           HG1      MET  35  38.550   3.933  -7.556
  291    HE1  MET  35           HE1      MET  35  41.466   3.708 -10.248
  292    HE2  MET  35           HE2      MET  35  40.540   4.084 -11.698
  293    HE3  MET  35           HE3      MET  35  40.146   2.645 -10.760
  294    H    PHE  36           HN       PHE  36  41.669   2.092  -5.448
  295    HA   PHE  36           HA       PHE  36  44.559   2.462  -5.658
  296    HB2  PHE  36           HB2      PHE  36  42.807   3.297  -3.792
  297    HB3  PHE  36           HB1      PHE  36  43.375   1.810  -3.015
  298    HD1  PHE  36           HD1      PHE  36  44.486   5.028  -4.525
  299    HD2  PHE  36           HD2      PHE  36  45.588   1.639  -2.119
  300    HE1  PHE  36           HE1      PHE  36  46.613   6.150  -3.915
  301    HE2  PHE  36           HE2      PHE  36  47.710   2.764  -1.511
  302    HZ   PHE  36           HZ       PHE  36  48.225   5.017  -2.409
  303    HA   PRO  37           HA       PRO  37  45.103  -2.001  -5.442
  304    HB2  PRO  37           HB2      PRO  37  47.534  -2.118  -6.492
  305    HB3  PRO  37           HB1      PRO  37  46.184  -1.530  -7.503
  306    HG2  PRO  37           HG2      PRO  37  48.228   0.065  -5.994
  307    HG3  PRO  37           HG1      PRO  37  47.710   0.223  -7.667
  308    HD2  PRO  37           HD2      PRO  37  46.680   1.767  -5.630
  309    HD3  PRO  37           HD1      PRO  37  45.781   1.384  -7.121
  310    H    SER  38           HN       SER  38  47.467   0.399  -4.315
  311    HA   SER  38           HA       SER  38  48.973   0.362  -2.519
  312    HB2  SER  38           HB2      SER  38  46.511  -0.956  -1.673
  313    HB3  SER  38           HB1      SER  38  47.916  -1.515  -0.754
  314    HG   SER  38           HG       SER  38  48.248   0.501  -0.026
  315    H    ALA  39           HN       ALA  39  49.295  -1.432  -4.784
  316    HA   ALA  39           HA       ALA  39  50.007  -4.069  -3.985
  317    HB1  ALA  39           HB1      ALA  39  50.029  -4.134  -6.243
  318    HB2  ALA  39           HB2      ALA  39  51.667  -3.494  -6.135
  319    HB3  ALA  39           HB3      ALA  39  50.304  -2.397  -6.369
  320    H    GLU  40           HN       GLU  40  51.678  -1.022  -3.803
  321    HA   GLU  40           HA       GLU  40  54.139  -2.418  -2.841
  322    HB2  GLU  40           HB2      GLU  40  53.716   0.407  -3.872
  323    HB3  GLU  40           HB1      GLU  40  55.233  -0.177  -3.189
  324    HG2  GLU  40           HG2      GLU  40  54.257  -2.036  -5.187
  325    HG3  GLU  40           HG1      GLU  40  54.379  -0.412  -5.866
  Start of MODEL    3
    1    H1   THR   1           HT1      THR   1  14.985   7.885  -7.078
    2    H2   THR   1           HT2      THR   1  16.390   6.997  -7.406
    3    H3   THR   1           HT3      THR   1  16.217   7.790  -5.921
    4    HA   THR   1           HA       THR   1  14.019   6.216  -5.996
    5    HB   THR   1           HB       THR   1  16.382   4.592  -6.987
    6    HG1  THR   1           HG1      THR   1  15.825   5.480  -8.823
    7   HG21  THR   1          HG21      THR   1  14.626   3.470  -5.570
    8   HG22  THR   1          HG22      THR   1  14.758   2.813  -7.200
    9   HG23  THR   1          HG23      THR   1  13.437   3.907  -6.797
   10    H    VAL   2           HN       VAL   2  14.692   7.293  -3.899
   11    HA   VAL   2           HA       VAL   2  16.872   6.762  -2.308
   12    HB   VAL   2           HB       VAL   2  14.207   6.410  -0.985
   13   HG11  VAL   2          HG11      VAL   2  16.315   6.654   0.303
   14   HG12  VAL   2          HG12      VAL   2  15.197   7.983   0.610
   15   HG13  VAL   2          HG13      VAL   2  16.582   8.224  -0.456
   16   HG21  VAL   2          HG21      VAL   2  13.499   8.025  -2.566
   17   HG22  VAL   2          HG22      VAL   2  15.065   8.835  -2.573
   18   HG23  VAL   2          HG23      VAL   2  14.000   8.991  -1.179
   19    H    PHE   3           HN       PHE   3  14.127   4.570  -2.842
   20    HA   PHE   3           HA       PHE   3  14.722   2.546  -1.014
   21    HB2  PHE   3           HB2      PHE   3  12.896   1.748  -2.075
   22    HB3  PHE   3           HB1      PHE   3  13.184   2.794  -3.460
   23    HD1  PHE   3           HD2      PHE   3  14.728  -0.283  -1.927
   24    HD2  PHE   3           HD1      PHE   3  13.442   1.720  -5.507
   25    HE1  PHE   3           HE2      PHE   3  15.410  -2.248  -3.279
   26    HE2  PHE   3           HE1      PHE   3  14.124  -0.247  -6.852
   27    HZ   PHE   3           HZ       PHE   3  15.109  -2.232  -5.739
   28    H    ALA   4           HN       ALA   4  16.148   3.043  -4.237
   29    HA   ALA   4           HA       ALA   4  17.848   0.733  -4.189
   30    HB1  ALA   4           HB1      ALA   4  19.171   1.926  -5.908
   31    HB2  ALA   4           HB2      ALA   4  18.298   3.415  -5.543
   32    HB3  ALA   4           HB3      ALA   4  17.444   2.042  -6.250
   33    H    PHE   5           HN       PHE   5  18.343   4.091  -3.147
   34    HA   PHE   5           HA       PHE   5  21.047   3.757  -2.248
   35    HB2  PHE   5           HB2      PHE   5  19.459   5.911  -2.498
   36    HB3  PHE   5           HB1      PHE   5  19.223   5.611  -0.776
   37    HD1  PHE   5           HD1      PHE   5  21.829   6.130  -3.391
   38    HD2  PHE   5           HD2      PHE   5  20.911   6.165   0.807
   39    HE1  PHE   5           HE1      PHE   5  24.037   7.150  -2.916
   40    HE2  PHE   5           HE2      PHE   5  23.119   7.184   1.280
   41    HZ   PHE   5           HZ       PHE   5  24.682   7.679  -0.581
   42    H    ALA   6           HN       ALA   6  18.042   3.886  -0.312
   43    HA   ALA   6           HA       ALA   6  19.058   3.053   2.149
   44    HB1  ALA   6           HB1      ALA   6  16.469   1.876   1.168
   45    HB2  ALA   6           HB2      ALA   6  16.597   3.622   1.391
   46    HB3  ALA   6           HB3      ALA   6  16.859   2.538   2.757
   47    H    SER   7           HN       SER   7  18.168   1.046  -0.641
   48    HA   SER   7           HA       SER   7  18.577  -1.487   0.620
   49    HB2  SER   7           HB2      SER   7  18.956  -0.729  -2.291
   50    HB3  SER   7           HB1      SER   7  18.765  -2.373  -1.666
   51    HG   SER   7           HG       SER   7  16.898  -0.223  -1.689
   52    H    MET   8           HN       MET   8  20.766   0.186  -1.676
   53    HA   MET   8           HA       MET   8  23.020  -1.459  -1.193
   54    HB2  MET   8           HB2      MET   8  22.510   1.170  -2.401
   55    HB3  MET   8           HB1      MET   8  24.103   1.052  -1.655
   56    HG2  MET   8           HG2      MET   8  24.800  -0.648  -3.068
   57    HG3  MET   8           HG1      MET   8  23.146  -1.219  -3.355
   58    HE1  MET   8           HE1      MET   8  21.363   1.228  -4.685
   59    HE2  MET   8           HE2      MET   8  21.595  -0.518  -4.664
   60    HE3  MET   8           HE3      MET   8  21.777   0.369  -6.176
   61    H    LEU   9           HN       LEU   9  21.824   1.378   0.506
   62    HA   LEU   9           HA       LEU   9  23.996   1.819   2.260
   63    HB2  LEU   9           HB2      LEU   9  21.359   2.780   1.957
   64    HB3  LEU   9           HB1      LEU   9  21.441   2.160   3.604
   65    HG   LEU   9           HG       LEU   9  23.435   4.091   2.386
   66   HD11  LEU   9          HD11      LEU   9  21.064   4.960   2.799
   67   HD12  LEU   9          HD12      LEU   9  22.361   5.824   3.620
   68   HD13  LEU   9          HD13      LEU   9  21.368   4.672   4.511
   69   HD21  LEU   9          HD21      LEU   9  24.476   2.781   4.124
   70   HD22  LEU   9          HD22      LEU   9  23.066   2.943   5.169
   71   HD23  LEU   9          HD23      LEU   9  24.078   4.348   4.830
   72    H    CYS  10           HN       CYS  10  21.000  -0.005   2.974
   73    HA   CYS  10           HA       CYS  10  21.935  -1.178   5.386
   74    HB2  CYS  10           HB2      CYS  10  19.571  -1.226   4.802
   75    HB3  CYS  10           HB1      CYS  10  19.914  -2.208   3.374
   76    HG   CYS  10           HG       CYS  10  19.175  -3.612   5.634
   77    H    LEU  11           HN       LEU  11  21.841  -2.574   2.097
   78    HA   LEU  11           HA       LEU  11  23.037  -5.049   2.710
   79    HB2  LEU  11           HB2      LEU  11  22.750  -3.385   0.266
   80    HB3  LEU  11           HB1      LEU  11  24.030  -4.595   0.220
   81    HG   LEU  11           HG       LEU  11  22.407  -6.344   0.871
   82   HD11  LEU  11          HD11      LEU  11  19.925  -5.586   0.621
   83   HD12  LEU  11          HD12      LEU  11  20.552  -3.972   0.954
   84   HD13  LEU  11          HD13      LEU  11  20.756  -5.259   2.141
   85   HD21  LEU  11          HD21      LEU  11  22.713  -6.100  -1.487
   86   HD22  LEU  11          HD22      LEU  11  21.731  -4.636  -1.535
   87   HD23  LEU  11          HD23      LEU  11  20.971  -6.199  -1.237
   88    H    LEU  12           HN       LEU  12  24.692  -2.092   1.563
   89    HA   LEU  12           HA       LEU  12  27.339  -3.115   1.816
   90    HB2  LEU  12           HB2      LEU  12  26.139  -0.356   1.783
   91    HB3  LEU  12           HB1      LEU  12  27.855  -0.561   2.125
   92    HG   LEU  12           HG       LEU  12  26.445  -1.688  -0.313
   93   HD11  LEU  12          HD11      LEU  12  28.232   0.749  -0.045
   94   HD12  LEU  12          HD12      LEU  12  26.502   0.767  -0.387
   95   HD13  LEU  12          HD13      LEU  12  27.625   0.087  -1.564
   96   HD21  LEU  12          HD21      LEU  12  29.187  -1.882   0.812
   97   HD22  LEU  12          HD22      LEU  12  29.084  -1.598  -0.928
   98   HD23  LEU  12          HD23      LEU  12  28.307  -3.013  -0.217
   99    H    ASN  13           HN       ASN  13  25.465  -1.024   4.002
  100    HA   ASN  13           HA       ASN  13  27.341  -0.898   6.089
  101    HB2  ASN  13           HB2      ASN  13  24.389  -0.595   5.906
  102    HB3  ASN  13           HB1      ASN  13  25.053  -0.880   7.507
  103   HD21  ASN  13          HD21      ASN  13  27.142   0.669   5.227
  104   HD22  ASN  13          HD22      ASN  13  27.015   2.258   5.868
  105    H    SER  14           HN       SER  14  25.172  -3.466   5.183
  106    HA   SER  14           HA       SER  14  25.470  -4.775   7.740
  107    HB2  SER  14           HB2      SER  14  24.334  -5.829   5.140
  108    HB3  SER  14           HB1      SER  14  24.155  -6.590   6.722
  109    HG   SER  14           HG       SER  14  23.098  -4.148   5.751
  110    H    THR  15           HN       THR  15  27.616  -4.453   5.247
  111    HA   THR  15           HA       THR  15  29.074  -6.827   6.243
  112    HB   THR  15           HB       THR  15  28.314  -7.931   4.366
  113    HG1  THR  15           HG1      THR  15  30.609  -7.644   4.213
  114   HG21  THR  15          HG21      THR  15  26.869  -6.583   3.219
  115   HG22  THR  15          HG22      THR  15  28.233  -6.459   2.111
  116   HG23  THR  15          HG23      THR  15  27.939  -5.185   3.293
  117    H    VAL  16           HN       VAL  16  29.741  -4.825   3.433
  118    HA   VAL  16           HA       VAL  16  32.434  -4.340   4.439
  119    HB   VAL  16           HB       VAL  16  31.269  -2.962   2.052
  120   HG11  VAL  16          HG11      VAL  16  33.460  -3.104   1.227
  121   HG12  VAL  16          HG12      VAL  16  33.843  -4.512   2.218
  122   HG13  VAL  16          HG13      VAL  16  33.731  -2.914   2.958
  123   HG21  VAL  16          HG21      VAL  16  30.325  -5.069   1.637
  124   HG22  VAL  16          HG22      VAL  16  31.656  -5.923   2.417
  125   HG23  VAL  16          HG23      VAL  16  31.888  -5.194   0.828
  126    H    ASN  17           HN       ASN  17  31.441  -3.090   6.392
  127    HA   ASN  17           HA       ASN  17  31.883  -0.278   5.810
  128    HB2  ASN  17           HB2      ASN  17  29.144  -1.307   6.327
  129    HB3  ASN  17           HB1      ASN  17  29.593   0.185   7.149
  130   HD21  ASN  17          HD21      ASN  17  31.356   1.204   5.002
  131   HD22  ASN  17          HD22      ASN  17  30.333   1.606   3.692
  132    HA   PRO  18           HA       PRO  18  31.256  -0.958  10.607
  133    HB2  PRO  18           HB2      PRO  18  31.713  -3.891  10.713
  134    HB3  PRO  18           HB1      PRO  18  30.573  -2.894  11.630
  135    HG2  PRO  18           HG2      PRO  18  29.807  -4.524   9.638
  136    HG3  PRO  18           HG1      PRO  18  28.963  -3.007  10.014
  137    HD2  PRO  18           HD2      PRO  18  30.782  -3.651   7.751
  138    HD3  PRO  18           HD1      PRO  18  29.441  -2.490   7.814
  139    H    ILE  19           HN       ILE  19  33.413  -2.062   8.294
  140    HA   ILE  19           HA       ILE  19  35.587  -2.705  10.080
  141    HB   ILE  19           HB       ILE  19  35.856  -2.073   7.143
  142   HG12  ILE  19          HG12      ILE  19  35.672  -4.817   7.323
  143   HG13  ILE  19          HG11      ILE  19  34.444  -4.290   8.469
  144   HG21  ILE  19          HG21      ILE  19  37.634  -2.989   9.193
  145   HG22  ILE  19          HG22      ILE  19  37.978  -2.723   7.484
  146   HG23  ILE  19          HG23      ILE  19  37.403  -4.296   8.031
  147   HD11  ILE  19          HD11      ILE  19  33.111  -4.084   6.649
  148   HD12  ILE  19          HD12      ILE  19  34.478  -4.087   5.537
  149   HD13  ILE  19          HD13      ILE  19  34.004  -2.594   6.345
  150    H    ILE  20           HN       ILE  20  35.827  -0.340   7.479
  151    HA   ILE  20           HA       ILE  20  36.235   1.834   9.407
  152    HB   ILE  20           HB       ILE  20  38.439   2.230   7.739
  153   HG12  ILE  20          HG12      ILE  20  39.776   0.116   8.201
  154   HG13  ILE  20          HG11      ILE  20  38.247  -0.673   8.584
  155   HG21  ILE  20          HG21      ILE  20  39.732   1.794   9.819
  156   HG22  ILE  20          HG22      ILE  20  38.284   1.098  10.549
  157   HG23  ILE  20          HG23      ILE  20  38.318   2.805  10.102
  158   HD11  ILE  20          HD11      ILE  20  38.357   0.844   6.027
  159   HD12  ILE  20          HD12      ILE  20  37.555  -0.682   6.401
  160   HD13  ILE  20          HD13      ILE  20  39.290  -0.650   6.103
  161    H    TYR  21           HN       TYR  21  36.179   0.683   6.069
  162    HA   TYR  21           HA       TYR  21  35.645   3.295   4.926
  163    HB2  TYR  21           HB2      TYR  21  34.424   1.230   3.351
  164    HB3  TYR  21           HB1      TYR  21  35.848   2.192   2.988
  165    HD1  TYR  21           HD1      TYR  21  34.700  -0.876   4.779
  166    HD2  TYR  21           HD2      TYR  21  38.011   1.250   3.046
  167    HE1  TYR  21           HE1      TYR  21  36.128  -2.887   5.029
  168    HE2  TYR  21           HE2      TYR  21  39.434  -0.762   3.305
  169    HH   TYR  21           HH       TYR  21  39.572  -2.792   4.322
  170    H    ALA  22           HN       ALA  22  34.107   2.701   7.306
  171    HA   ALA  22           HA       ALA  22  31.432   1.915   6.811
  172    HB1  ALA  22           HB1      ALA  22  32.059   2.207   9.077
  173    HB2  ALA  22           HB2      ALA  22  30.934   3.526   8.763
  174    HB3  ALA  22           HB3      ALA  22  32.668   3.836   8.784
  175    H    LEU  23           HN       LEU  23  31.270   2.922   4.580
  176    HA   LEU  23           HA       LEU  23  30.127   4.411   3.196
  177    HB2  LEU  23           HB2      LEU  23  29.356   5.828   5.765
  178    HB3  LEU  23           HB1      LEU  23  28.586   6.011   4.189
  179    HG   LEU  23           HG       LEU  23  28.791   3.305   5.510
  180   HD11  LEU  23          HD11      LEU  23  27.595   4.361   7.195
  181   HD12  LEU  23          HD12      LEU  23  26.278   3.925   6.107
  182   HD13  LEU  23          HD13      LEU  23  26.917   5.567   6.105
  183   HD21  LEU  23          HD21      LEU  23  27.938   4.129   3.007
  184   HD22  LEU  23          HD22      LEU  23  26.429   4.038   3.915
  185   HD23  LEU  23          HD23      LEU  23  27.472   2.622   3.793
  186    H    ARG  24           HN       ARG  24  31.636   6.269   5.862
  187    HA   ARG  24           HA       ARG  24  32.111   8.566   4.266
  188    HB2  ARG  24           HB2      ARG  24  33.368   9.426   6.066
  189    HB3  ARG  24           HB1      ARG  24  32.199   8.358   6.833
  190    HG2  ARG  24           HG2      ARG  24  34.975   7.400   6.090
  191    HG3  ARG  24           HG1      ARG  24  34.651   8.199   7.621
  192    HD2  ARG  24           HD2      ARG  24  33.545   5.576   6.617
  193    HD3  ARG  24           HD1      ARG  24  34.435   5.890   8.102
  194    HE   ARG  24           HE       ARG  24  31.566   6.210   7.734
  195   HH11  ARG  24          HH21      ARG  24  34.403   7.354   9.366
  196   HH12  ARG  24          HH22      ARG  24  33.535   7.950  10.742
  197   HH21  ARG  24          HH11      ARG  24  30.425   6.987   9.525
  198   HH22  ARG  24          HH12      ARG  24  31.279   7.740  10.832
  199    H    SER  25           HN       SER  25  34.198   5.775   4.937
  200    HA   SER  25           HA       SER  25  36.120   6.854   2.919
  201    HB2  SER  25           HB2      SER  25  37.395   4.741   4.121
  202    HB3  SER  25           HB1      SER  25  37.545   6.424   4.641
  203    HG   SER  25           HG       SER  25  36.878   5.375   6.437
  204    H    LYS  26           HN       LYS  26  33.518   5.004   2.928
  205    HA   LYS  26           HA       LYS  26  34.172   2.457   1.946
  206    HB2  LYS  26           HB2      LYS  26  31.845   4.025   2.097
  207    HB3  LYS  26           HB1      LYS  26  32.014   3.600   0.394
  208    HG2  LYS  26           HG2      LYS  26  32.388   1.492   2.517
  209    HG3  LYS  26           HG1      LYS  26  30.765   1.939   1.978
  210    HD2  LYS  26           HD2      LYS  26  31.050   1.002  -0.088
  211    HD3  LYS  26           HD1      LYS  26  32.761   1.435  -0.167
  212    HE2  LYS  26           HE2      LYS  26  33.429  -0.505   0.840
  213    HE3  LYS  26           HE1      LYS  26  32.036  -0.553   1.913
  214    HZ1  LYS  26           HZ1      LYS  26  30.693  -1.170  -0.078
  215    HZ2  LYS  26           HZ2      LYS  26  31.836  -2.340   0.377
  216    HZ3  LYS  26           HZ3      LYS  26  32.136  -1.328  -0.948
  217    H    ASP  27           HN       ASP  27  34.134   5.556   0.306
  218    HA   ASP  27           HA       ASP  27  34.404   4.670  -2.354
  219    HB2  ASP  27           HB2      ASP  27  34.169   7.078  -1.492
  220    HB3  ASP  27           HB1      ASP  27  35.915   7.038  -1.241
  221    H    LEU  28           HN       LEU  28  36.764   4.762   0.242
  222    HA   LEU  28           HA       LEU  28  39.078   4.243  -1.442
  223    HB2  LEU  28           HB2      LEU  28  39.150   5.192   0.915
  224    HB3  LEU  28           HB1      LEU  28  38.737   3.577   1.499
  225    HG   LEU  28           HG       LEU  28  40.991   3.679  -0.429
  226   HD11  LEU  28          HD11      LEU  28  41.438   5.711   0.900
  227   HD12  LEU  28          HD12      LEU  28  42.599   4.438   1.279
  228   HD13  LEU  28          HD13      LEU  28  41.268   4.775   2.387
  229   HD21  LEU  28          HD21      LEU  28  40.555   2.369   2.277
  230   HD22  LEU  28          HD22      LEU  28  41.930   2.069   1.215
  231   HD23  LEU  28          HD23      LEU  28  40.308   1.604   0.707
  232    H    ARG  29           HN       ARG  29  36.867   2.254   0.501
  233    HA   ARG  29           HA       ARG  29  38.087  -0.226   0.336
  234    HB2  ARG  29           HB2      ARG  29  36.027  -0.001   1.559
  235    HB3  ARG  29           HB1      ARG  29  35.139   0.441   0.100
  236    HG2  ARG  29           HG2      ARG  29  34.600  -1.792   0.086
  237    HG3  ARG  29           HG1      ARG  29  36.176  -1.950  -0.679
  238    HD2  ARG  29           HD2      ARG  29  37.161  -2.217   1.646
  239    HD3  ARG  29           HD1      ARG  29  35.505  -2.338   2.246
  240    HE   ARG  29           HE       ARG  29  35.555  -4.212   0.231
  241   HH11  ARG  29          HH21      ARG  29  37.620  -3.548   2.948
  242   HH12  ARG  29          HH22      ARG  29  38.056  -5.202   3.170
  243   HH21  ARG  29          HH11      ARG  29  36.151  -6.355   0.511
  244   HH22  ARG  29          HH12      ARG  29  37.224  -6.796   1.800
  245    H    HIS  30           HN       HIS  30  35.376   0.407  -1.897
  246    HA   HIS  30           HA       HIS  30  36.059  -1.649  -3.636
  247    HB2  HIS  30           HB2      HIS  30  34.655  -0.631  -5.319
  248    HB3  HIS  30           HB1      HIS  30  33.904  -0.379  -3.738
  249    HD1  HIS  30           HD1      HIS  30  34.951   1.408  -6.712
  250    HD2  HIS  30           HD2      HIS  30  34.637   2.371  -2.650
  251    HE1  HIS  30           HE1      HIS  30  35.022   3.939  -6.564
  252    HE2  HIS  30           HE2      HIS  30  34.868   4.550  -4.106
  253    H    ALA  31           HN       ALA  31  36.857   1.810  -4.170
  254    HA   ALA  31           HA       ALA  31  38.450   1.539  -6.448
  255    HB1  ALA  31           HB1      ALA  31  39.582   3.570  -5.777
  256    HB2  ALA  31           HB2      ALA  31  39.162   3.304  -4.085
  257    HB3  ALA  31           HB3      ALA  31  37.903   3.706  -5.252
  258    H    PHE  32           HN       PHE  32  39.391   1.078  -3.069
  259    HA   PHE  32           HA       PHE  32  42.119   0.379  -3.543
  260    HB2  PHE  32           HB2      PHE  32  41.188   0.935  -1.344
  261    HB3  PHE  32           HB1      PHE  32  40.196  -0.504  -1.393
  262    HD1  PHE  32           HD2      PHE  32  43.662   0.757  -1.156
  263    HD2  PHE  32           HD1      PHE  32  41.092  -2.663  -0.896
  264    HE1  PHE  32           HE2      PHE  32  45.515  -0.553  -0.157
  265    HE2  PHE  32           HE1      PHE  32  42.949  -3.981   0.109
  266    HZ   PHE  32           HZ       PHE  32  45.156  -2.923   0.477
  267    H    ARG  33           HN       ARG  33  39.337  -1.715  -2.895
  268    HA   ARG  33           HA       ARG  33  40.602  -4.185  -3.560
  269    HB2  ARG  33           HB2      ARG  33  37.677  -3.479  -3.750
  270    HB3  ARG  33           HB1      ARG  33  38.342  -5.095  -3.534
  271    HG2  ARG  33           HG2      ARG  33  38.884  -2.853  -1.599
  272    HG3  ARG  33           HG1      ARG  33  37.464  -3.882  -1.433
  273    HD2  ARG  33           HD2      ARG  33  40.230  -4.432  -0.714
  274    HD3  ARG  33           HD1      ARG  33  38.776  -5.304  -0.256
  275    HE   ARG  33           HE       ARG  33  39.009  -6.414  -2.599
  276   HH11  ARG  33          HH21      ARG  33  41.639  -5.213  -0.682
  277   HH12  ARG  33          HH22      ARG  33  42.802  -6.291  -1.370
  278   HH21  ARG  33          HH11      ARG  33  40.535  -7.821  -3.496
  279   HH22  ARG  33          HH12      ARG  33  42.182  -7.766  -2.955
  280    H    SER  34           HN       SER  34  39.753  -1.648  -5.517
  281    HA   SER  34           HA       SER  34  39.424  -3.452  -7.871
  282    HB2  SER  34           HB2      SER  34  38.116  -0.771  -7.422
  283    HB3  SER  34           HB1      SER  34  37.722  -1.979  -8.650
  284    HG   SER  34           HG       SER  34  37.362  -2.068  -5.848
  285    H    MET  35           HN       MET  35  41.303  -1.063  -6.460
  286    HA   MET  35           HA       MET  35  42.572  -0.375  -9.065
  287    HB2  MET  35           HB2      MET  35  41.842   1.674  -6.933
  288    HB3  MET  35           HB1      MET  35  42.640   1.999  -8.479
  289    HG2  MET  35           HG2      MET  35  40.399   0.669  -9.320
  290    HG3  MET  35           HG1      MET  35  39.780   1.525  -7.903
  291    HE1  MET  35           HE1      MET  35  41.900   1.506 -10.813
  292    HE2  MET  35           HE2      MET  35  42.636   3.103 -10.704
  293    HE3  MET  35           HE3      MET  35  41.330   2.820 -11.850
  294    H    PHE  36           HN       PHE  36  42.801   0.409  -5.578
  295    HA   PHE  36           HA       PHE  36  45.613   0.705  -5.564
  296    HB2  PHE  36           HB2      PHE  36  43.808   1.219  -3.706
  297    HB3  PHE  36           HB1      PHE  36  44.244  -0.406  -3.150
  298    HD1  PHE  36           HD1      PHE  36  46.540  -0.915  -2.409
  299    HD2  PHE  36           HD2      PHE  36  45.407   3.048  -3.623
  300    HE1  PHE  36           HE1      PHE  36  48.609  -0.010  -1.388
  301    HE2  PHE  36           HE2      PHE  36  47.477   3.955  -2.600
  302    HZ   PHE  36           HZ       PHE  36  49.079   2.426  -1.478
  303    HA   PRO  37           HA       PRO  37  46.452  -3.691  -6.139
  304    HB2  PRO  37           HB2      PRO  37  49.028  -3.467  -6.838
  305    HB3  PRO  37           HB1      PRO  37  47.744  -2.896  -7.927
  306    HG2  PRO  37           HG2      PRO  37  49.434  -1.320  -6.031
  307    HG3  PRO  37           HG1      PRO  37  49.036  -0.989  -7.712
  308    HD2  PRO  37           HD2      PRO  37  47.701   0.185  -5.632
  309    HD3  PRO  37           HD1      PRO  37  46.938  -0.136  -7.209
  310    H    SER  38           HN       SER  38  48.728  -1.560  -4.399
  311    HA   SER  38           HA       SER  38  49.972  -1.936  -2.444
  312    HB2  SER  38           HB2      SER  38  47.448  -3.330  -2.151
  313    HB3  SER  38           HB1      SER  38  48.730  -4.204  -1.309
  314    HG   SER  38           HG       SER  38  47.759  -2.592   0.003
  315    H    ALA  39           HN       ALA  39  51.071  -2.913  -4.700
  316    HA   ALA  39           HA       ALA  39  51.483  -5.716  -4.863
  317    HB1  ALA  39           HB1      ALA  39  53.387  -5.180  -6.302
  318    HB2  ALA  39           HB2      ALA  39  53.401  -3.520  -5.706
  319    HB3  ALA  39           HB3      ALA  39  52.045  -4.097  -6.677
  320    H    GLU  40           HN       GLU  40  52.894  -7.074  -3.867
  321    HA   GLU  40           HA       GLU  40  54.605  -7.849  -2.478
  322    HB2  GLU  40           HB2      GLU  40  55.462  -4.960  -2.174
  323    HB3  GLU  40           HB1      GLU  40  56.420  -6.395  -1.840
  324    HG2  GLU  40           HG2      GLU  40  56.021  -7.010  -4.325
  325    HG3  GLU  40           HG1      GLU  40  55.533  -5.325  -4.515
  Start of MODEL    4
    1    H1   THR   1           HT1      THR   1  17.554   9.238  -6.069
    2    H2   THR   1           HT2      THR   1  19.200   8.935  -6.361
    3    H3   THR   1           HT3      THR   1  18.551   8.706  -4.811
    4    HA   THR   1           HA       THR   1  17.111   7.176  -6.702
    5    HB   THR   1           HB       THR   1  19.736   5.934  -6.528
    6    HG1  THR   1           HG1      THR   1  20.927   7.541  -7.105
    7   HG21  THR   1          HG21      THR   1  18.044   6.831  -8.879
    8   HG22  THR   1          HG22      THR   1  17.921   5.269  -8.071
    9   HG23  THR   1          HG23      THR   1  19.390   5.693  -8.951
   10    H    VAL   2           HN       VAL   2  16.699   7.711  -4.050
   11    HA   VAL   2           HA       VAL   2  17.918   6.216  -2.054
   12    HB   VAL   2           HB       VAL   2  15.397   5.859  -1.257
   13   HG11  VAL   2          HG11      VAL   2  16.392   8.694  -1.524
   14   HG12  VAL   2          HG12      VAL   2  17.222   7.531  -0.492
   15   HG13  VAL   2          HG13      VAL   2  15.540   7.948  -0.174
   16   HG21  VAL   2          HG21      VAL   2  14.963   8.221  -3.060
   17   HG22  VAL   2          HG22      VAL   2  13.781   7.119  -2.358
   18   HG23  VAL   2          HG23      VAL   2  14.755   6.605  -3.733
   19    H    PHE   3           HN       PHE   3  15.531   5.065  -4.412
   20    HA   PHE   3           HA       PHE   3  15.157   2.449  -3.463
   21    HB2  PHE   3           HB2      PHE   3  15.470   2.765  -6.412
   22    HB3  PHE   3           HB1      PHE   3  14.161   2.023  -5.494
   23    HD1  PHE   3           HD2      PHE   3  12.677   3.633  -4.064
   24    HD2  PHE   3           HD1      PHE   3  15.186   4.916  -7.308
   25    HE1  PHE   3           HE2      PHE   3  11.360   5.725  -4.256
   26    HE2  PHE   3           HE1      PHE   3  13.870   7.010  -7.498
   27    HZ   PHE   3           HZ       PHE   3  11.956   7.416  -5.971
   28    H    ALA   4           HN       ALA   4  17.651   3.595  -5.761
   29    HA   ALA   4           HA       ALA   4  19.039   1.053  -5.817
   30    HB1  ALA   4           HB1      ALA   4  20.689   2.153  -7.110
   31    HB2  ALA   4           HB2      ALA   4  20.328   3.724  -6.395
   32    HB3  ALA   4           HB3      ALA   4  19.194   2.989  -7.529
   33    H    PHE   5           HN       PHE   5  19.310   4.015  -3.914
   34    HA   PHE   5           HA       PHE   5  21.762   3.411  -2.588
   35    HB2  PHE   5           HB2      PHE   5  20.226   5.579  -2.555
   36    HB3  PHE   5           HB1      PHE   5  19.554   4.807  -1.118
   37    HD1  PHE   5           HD1      PHE   5  23.036   5.022  -2.537
   38    HD2  PHE   5           HD2      PHE   5  20.450   5.752   0.818
   39    HE1  PHE   5           HE1      PHE   5  24.981   5.781  -1.198
   40    HE2  PHE   5           HE2      PHE   5  22.395   6.511   2.152
   41    HZ   PHE   5           HZ       PHE   5  24.660   6.529   1.148
   42    H    ALA   6           HN       ALA   6  18.472   3.099  -1.206
   43    HA   ALA   6           HA       ALA   6  19.117   1.571   1.039
   44    HB1  ALA   6           HB1      ALA   6  16.805   0.569   0.786
   45    HB2  ALA   6           HB2      ALA   6  16.686   1.403  -0.764
   46    HB3  ALA   6           HB3      ALA   6  16.850   2.331   0.727
   47    H    SER   7           HN       SER   7  18.909   0.562  -2.310
   48    HA   SER   7           HA       SER   7  19.039  -2.283  -1.784
   49    HB2  SER   7           HB2      SER   7  19.900  -0.757  -4.255
   50    HB3  SER   7           HB1      SER   7  19.549  -2.488  -4.158
   51    HG   SER   7           HG       SER   7  17.802  -0.258  -3.982
   52    H    MET   8           HN       MET   8  21.514  -0.083  -3.171
   53    HA   MET   8           HA       MET   8  23.711  -1.838  -2.849
   54    HB2  MET   8           HB2      MET   8  23.366   1.101  -3.157
   55    HB3  MET   8           HB1      MET   8  24.899   0.575  -2.458
   56    HG2  MET   8           HG2      MET   8  25.276  -0.933  -4.362
   57    HG3  MET   8           HG1      MET   8  23.725  -0.450  -5.065
   58    HE1  MET   8           HE1      MET   8  23.335   1.414  -6.513
   59    HE2  MET   8           HE2      MET   8  24.541   0.398  -7.300
   60    HE3  MET   8           HE3      MET   8  24.692   2.153  -7.374
   61    H    LEU   9           HN       LEU   9  22.537   0.708  -0.666
   62    HA   LEU   9           HA       LEU   9  24.336   0.347   1.451
   63    HB2  LEU   9           HB2      LEU   9  21.617   1.428   1.120
   64    HB3  LEU   9           HB1      LEU   9  21.938   0.815   2.748
   65    HG   LEU   9           HG       LEU   9  22.546   3.241   2.431
   66   HD11  LEU   9          HD11      LEU   9  24.192   1.103   3.523
   67   HD12  LEU   9          HD12      LEU   9  23.855   2.701   4.186
   68   HD13  LEU   9          HD13      LEU   9  25.174   2.483   3.036
   69   HD21  LEU   9          HD21      LEU   9  23.371   2.887   0.049
   70   HD22  LEU   9          HD22      LEU   9  24.822   2.163   0.743
   71   HD23  LEU   9          HD23      LEU   9  24.433   3.848   1.073
   72    H    CYS  10           HN       CYS  10  21.076  -1.142   1.276
   73    HA   CYS  10           HA       CYS  10  21.307  -2.952   3.376
   74    HB2  CYS  10           HB2      CYS  10  19.242  -2.850   2.137
   75    HB3  CYS  10           HB1      CYS  10  20.045  -3.359   0.649
   76    HG   CYS  10           HG       CYS  10  20.036  -5.338   3.055
   77    H    LEU  11           HN       LEU  11  22.262  -3.612  -0.008
   78    HA   LEU  11           HA       LEU  11  23.517  -6.123   0.588
   79    HB2  LEU  11           HB2      LEU  11  22.891  -4.730  -1.712
   80    HB3  LEU  11           HB1      LEU  11  24.645  -4.612  -1.682
   81    HG   LEU  11           HG       LEU  11  24.556  -7.180  -1.156
   82   HD11  LEU  11          HD11      LEU  11  21.913  -6.814  -2.598
   83   HD12  LEU  11          HD12      LEU  11  22.048  -7.137  -0.869
   84   HD13  LEU  11          HD13      LEU  11  22.618  -8.329  -2.036
   85   HD21  LEU  11          HD21      LEU  11  24.482  -7.645  -3.619
   86   HD22  LEU  11          HD22      LEU  11  25.499  -6.262  -3.213
   87   HD23  LEU  11          HD23      LEU  11  23.884  -6.005  -3.875
   88    H    LEU  12           HN       LEU  12  25.243  -3.242  -0.551
   89    HA   LEU  12           HA       LEU  12  27.803  -3.976   0.202
   90    HB2  LEU  12           HB2      LEU  12  26.448  -1.322  -0.109
   91    HB3  LEU  12           HB1      LEU  12  28.087  -1.367   0.523
   92    HG   LEU  12           HG       LEU  12  27.744  -1.144  -2.054
   93   HD11  LEU  12          HD11      LEU  12  29.615  -3.102  -0.710
   94   HD12  LEU  12          HD12      LEU  12  29.948  -1.444  -1.211
   95   HD13  LEU  12          HD13      LEU  12  29.743  -2.706  -2.423
   96   HD21  LEU  12          HD21      LEU  12  27.478  -3.207  -3.271
   97   HD22  LEU  12          HD22      LEU  12  26.131  -3.085  -2.141
   98   HD23  LEU  12          HD23      LEU  12  27.489  -4.152  -1.782
   99    H    ASN  13           HN       ASN  13  25.243  -2.930   2.298
  100    HA   ASN  13           HA       ASN  13  27.125  -2.368   4.523
  101    HB2  ASN  13           HB2      ASN  13  25.102  -0.916   4.093
  102    HB3  ASN  13           HB1      ASN  13  24.099  -2.288   4.539
  103   HD21  ASN  13          HD21      ASN  13  26.421   0.065   5.801
  104   HD22  ASN  13          HD22      ASN  13  26.075  -0.225   7.454
  105    H    SER  14           HN       SER  14  24.147  -4.207   4.131
  106    HA   SER  14           HA       SER  14  24.329  -5.640   6.500
  107    HB2  SER  14           HB2      SER  14  22.380  -5.523   4.871
  108    HB3  SER  14           HB1      SER  14  23.204  -6.755   3.917
  109    HG   SER  14           HG       SER  14  22.640  -8.212   5.351
  110    H    THR  15           HN       THR  15  26.111  -6.179   3.519
  111    HA   THR  15           HA       THR  15  27.121  -8.738   4.650
  112    HB   THR  15           HB       THR  15  26.176  -8.800   2.338
  113    HG1  THR  15           HG1      THR  15  28.496  -9.741   3.231
  114   HG21  THR  15          HG21      THR  15  27.675  -6.444   2.029
  115   HG22  THR  15          HG22      THR  15  26.774  -7.298   0.779
  116   HG23  THR  15          HG23      THR  15  28.483  -7.646   1.025
  117    H    VAL  16           HN       VAL  16  28.018  -5.480   4.341
  118    HA   VAL  16           HA       VAL  16  30.575  -6.057   5.559
  119    HB   VAL  16           HB       VAL  16  31.573  -4.599   3.449
  120   HG11  VAL  16          HG11      VAL  16  31.706  -7.590   3.369
  121   HG12  VAL  16          HG12      VAL  16  32.372  -6.743   4.764
  122   HG13  VAL  16          HG13      VAL  16  33.001  -6.414   3.150
  123   HG21  VAL  16          HG21      VAL  16  29.373  -5.228   2.260
  124   HG22  VAL  16          HG22      VAL  16  30.035  -6.861   2.198
  125   HG23  VAL  16          HG23      VAL  16  30.878  -5.540   1.396
  126    H    ASN  17           HN       ASN  17  30.034  -4.550   7.121
  127    HA   ASN  17           HA       ASN  17  30.742  -1.861   6.506
  128    HB2  ASN  17           HB2      ASN  17  27.966  -2.478   6.125
  129    HB3  ASN  17           HB1      ASN  17  28.119  -1.397   7.507
  130   HD21  ASN  17          HD21      ASN  17  30.522  -0.082   6.606
  131   HD22  ASN  17          HD22      ASN  17  30.072   0.917   5.291
  132    HA   PRO  18           HA       PRO  18  29.295  -2.130  11.096
  133    HB2  PRO  18           HB2      PRO  18  28.672  -4.959  11.518
  134    HB3  PRO  18           HB1      PRO  18  27.687  -3.537  11.893
  135    HG2  PRO  18           HG2      PRO  18  27.155  -5.330   9.897
  136    HG3  PRO  18           HG1      PRO  18  26.549  -3.664   9.942
  137    HD2  PRO  18           HD2      PRO  18  28.691  -4.867   8.281
  138    HD3  PRO  18           HD1      PRO  18  27.676  -3.446   7.956
  139    H    ILE  19           HN       ILE  19  31.708  -2.788   9.640
  140    HA   ILE  19           HA       ILE  19  33.020  -4.582  11.583
  141    HB   ILE  19           HB       ILE  19  34.007  -4.451   8.765
  142   HG12  ILE  19          HG12      ILE  19  31.933  -6.494   9.438
  143   HG13  ILE  19          HG11      ILE  19  31.380  -4.884   8.993
  144   HG21  ILE  19          HG21      ILE  19  34.650  -6.749   9.226
  145   HG22  ILE  19          HG22      ILE  19  33.773  -6.712  10.756
  146   HG23  ILE  19          HG23      ILE  19  35.210  -5.714  10.540
  147   HD11  ILE  19          HD11      ILE  19  32.249  -5.023   6.840
  148   HD12  ILE  19          HD12      ILE  19  31.769  -6.697   7.125
  149   HD13  ILE  19          HD13      ILE  19  33.459  -6.223   7.297
  150    H    ILE  20           HN       ILE  20  34.363  -2.735   8.876
  151    HA   ILE  20           HA       ILE  20  35.821  -1.028  10.844
  152    HB   ILE  20           HB       ILE  20  37.213  -1.735   8.297
  153   HG12  ILE  20          HG12      ILE  20  38.169  -3.748   9.798
  154   HG13  ILE  20          HG11      ILE  20  36.527  -3.715  10.434
  155   HG21  ILE  20          HG21      ILE  20  38.177  -0.201   9.994
  156   HG22  ILE  20          HG22      ILE  20  39.175  -1.637   9.768
  157   HG23  ILE  20          HG23      ILE  20  38.128  -1.505  11.179
  158   HD11  ILE  20          HD11      ILE  20  36.329  -5.183   8.620
  159   HD12  ILE  20          HD12      ILE  20  37.459  -4.262   7.630
  160   HD13  ILE  20          HD13      ILE  20  35.829  -3.648   7.911
  161    H    TYR  21           HN       TYR  21  35.048  -1.478   7.404
  162    HA   TYR  21           HA       TYR  21  35.003   1.382   6.857
  163    HB2  TYR  21           HB2      TYR  21  33.463   0.167   4.872
  164    HB3  TYR  21           HB1      TYR  21  35.184   0.513   4.777
  165    HD1  TYR  21           HD1      TYR  21  36.828  -1.260   5.700
  166    HD2  TYR  21           HD2      TYR  21  32.697  -2.074   4.849
  167    HE1  TYR  21           HE1      TYR  21  37.330  -3.683   5.568
  168    HE2  TYR  21           HE2      TYR  21  33.199  -4.494   4.721
  169    HH   TYR  21           HH       TYR  21  36.065  -5.849   5.837
  170    H    ALA  22           HN       ALA  22  33.583   1.028   9.123
  171    HA   ALA  22           HA       ALA  22  30.965   0.408   9.335
  172    HB1  ALA  22           HB1      ALA  22  30.630   2.515  10.672
  173    HB2  ALA  22           HB2      ALA  22  32.222   3.046  10.130
  174    HB3  ALA  22           HB3      ALA  22  32.066   1.598  11.126
  175    H    LEU  23           HN       LEU  23  32.076   3.391   7.721
  176    HA   LEU  23           HA       LEU  23  30.316   3.268   5.556
  177    HB2  LEU  23           HB2      LEU  23  28.997   4.202   8.012
  178    HB3  LEU  23           HB1      LEU  23  28.837   5.329   6.660
  179    HG   LEU  23           HG       LEU  23  28.404   2.411   6.132
  180   HD11  LEU  23          HD11      LEU  23  27.049   2.728   8.113
  181   HD12  LEU  23          HD12      LEU  23  25.972   2.743   6.717
  182   HD13  LEU  23          HD13      LEU  23  26.423   4.258   7.501
  183   HD21  LEU  23          HD21      LEU  23  28.408   4.228   4.360
  184   HD22  LEU  23          HD22      LEU  23  26.965   4.889   5.129
  185   HD23  LEU  23          HD23      LEU  23  26.927   3.274   4.423
  186    H    ARG  24           HN       ARG  24  31.426   5.669   7.951
  187    HA   ARG  24           HA       ARG  24  31.745   7.888   6.296
  188    HB2  ARG  24           HB2      ARG  24  33.948   8.210   7.791
  189    HB3  ARG  24           HB1      ARG  24  32.334   8.420   8.467
  190    HG2  ARG  24           HG2      ARG  24  32.383   6.360   9.569
  191    HG3  ARG  24           HG1      ARG  24  33.591   5.691   8.479
  192    HD2  ARG  24           HD2      ARG  24  35.344   6.623   9.619
  193    HD3  ARG  24           HD1      ARG  24  34.429   8.062  10.068
  194    HE   ARG  24           HE       ARG  24  33.266   5.976  11.525
  195   HH11  ARG  24          HH21      ARG  24  36.379   7.409  11.105
  196   HH12  ARG  24          HH22      ARG  24  36.916   7.049  12.713
  197   HH21  ARG  24          HH11      ARG  24  33.940   5.502  13.638
  198   HH22  ARG  24          HH12      ARG  24  35.525   5.970  14.152
  199    H    SER  25           HN       SER  25  34.129   5.291   6.842
  200    HA   SER  25           HA       SER  25  35.654   6.292   4.503
  201    HB2  SER  25           HB2      SER  25  37.129   4.220   5.458
  202    HB3  SER  25           HB1      SER  25  37.282   5.881   6.037
  203    HG   SER  25           HG       SER  25  36.904   4.814   7.863
  204    H    LYS  26           HN       LYS  26  33.049   4.462   4.727
  205    HA   LYS  26           HA       LYS  26  33.585   1.936   3.575
  206    HB2  LYS  26           HB2      LYS  26  31.303   3.691   3.760
  207    HB3  LYS  26           HB1      LYS  26  31.412   3.073   2.118
  208    HG2  LYS  26           HG2      LYS  26  31.554   1.327   4.575
  209    HG3  LYS  26           HG1      LYS  26  30.068   1.642   3.690
  210    HD2  LYS  26           HD2      LYS  26  30.975   0.627   1.687
  211    HD3  LYS  26           HD1      LYS  26  32.563   0.457   2.445
  212    HE2  LYS  26           HE2      LYS  26  31.674  -1.677   2.778
  213    HE3  LYS  26           HE1      LYS  26  31.224  -0.879   4.279
  214    HZ1  LYS  26           HZ1      LYS  26  29.032  -0.547   3.537
  215    HZ2  LYS  26           HZ2      LYS  26  29.405  -2.155   3.108
  216    HZ3  LYS  26           HZ3      LYS  26  29.425  -0.929   1.929
  217    H    ASP  27           HN       ASP  27  33.291   5.119   2.116
  218    HA   ASP  27           HA       ASP  27  33.535   4.402  -0.583
  219    HB2  ASP  27           HB2      ASP  27  33.115   6.725   0.507
  220    HB3  ASP  27           HB1      ASP  27  34.877   6.872   0.480
  221    H    LEU  28           HN       LEU  28  36.121   5.253   1.687
  222    HA   LEU  28           HA       LEU  28  38.280   4.956  -0.118
  223    HB2  LEU  28           HB2      LEU  28  38.206   4.480   2.883
  224    HB3  LEU  28           HB1      LEU  28  39.671   4.715   1.920
  225    HG   LEU  28           HG       LEU  28  37.412   6.733   2.158
  226   HD11  LEU  28          HD11      LEU  28  38.409   6.867   4.250
  227   HD12  LEU  28          HD12      LEU  28  39.416   7.987   3.335
  228   HD13  LEU  28          HD13      LEU  28  39.984   6.347   3.650
  229   HD21  LEU  28          HD21      LEU  28  39.418   8.177   1.234
  230   HD22  LEU  28          HD22      LEU  28  38.443   7.217   0.123
  231   HD23  LEU  28          HD23      LEU  28  40.014   6.620   0.660
  232    H    ARG  29           HN       ARG  29  36.471   2.631   1.821
  233    HA   ARG  29           HA       ARG  29  38.236   0.425   1.599
  234    HB2  ARG  29           HB2      ARG  29  36.011   0.627   2.920
  235    HB3  ARG  29           HB1      ARG  29  35.248   0.081   1.423
  236    HG2  ARG  29           HG2      ARG  29  37.589  -1.530   2.042
  237    HG3  ARG  29           HG1      ARG  29  36.450  -1.542   3.375
  238    HD2  ARG  29           HD2      ARG  29  34.642  -2.014   1.568
  239    HD3  ARG  29           HD1      ARG  29  36.014  -2.435   0.533
  240    HE   ARG  29           HE       ARG  29  36.035  -3.760   3.155
  241   HH11  ARG  29          HH21      ARG  29  35.005  -3.815  -0.144
  242   HH12  ARG  29          HH22      ARG  29  34.873  -5.538  -0.216
  243   HH21  ARG  29          HH11      ARG  29  35.842  -6.022   3.092
  244   HH22  ARG  29          HH12      ARG  29  35.352  -6.790   1.615
  245    H    HIS  30           HN       HIS  30  35.268   0.809  -0.377
  246    HA   HIS  30           HA       HIS  30  36.151  -1.171  -2.225
  247    HB2  HIS  30           HB2      HIS  30  34.272  -0.552  -3.598
  248    HB3  HIS  30           HB1      HIS  30  33.760  -0.461  -1.909
  249    HD1  HIS  30           HD1      HIS  30  33.920   1.493  -4.974
  250    HD2  HIS  30           HD2      HIS  30  33.847   2.342  -0.881
  251    HE1  HIS  30           HE1      HIS  30  33.357   3.957  -4.768
  252    HE2  HIS  30           HE2      HIS  30  33.325   4.507  -2.287
  253    H    ALA  31           HN       ALA  31  36.239   2.404  -2.433
  254    HA   ALA  31           HA       ALA  31  37.496   2.607  -4.972
  255    HB1  ALA  31           HB1      ALA  31  38.194   4.262  -2.526
  256    HB2  ALA  31           HB2      ALA  31  36.760   4.546  -3.513
  257    HB3  ALA  31           HB3      ALA  31  38.366   4.739  -4.216
  258    H    PHE  32           HN       PHE  32  38.910   2.134  -1.752
  259    HA   PHE  32           HA       PHE  32  41.623   1.838  -2.540
  260    HB2  PHE  32           HB2      PHE  32  41.027   2.013  -0.217
  261    HB3  PHE  32           HB1      PHE  32  39.989   0.604  -0.336
  262    HD1  PHE  32           HD2      PHE  32  43.481   1.128  -1.597
  263    HD2  PHE  32           HD1      PHE  32  40.905  -1.026   1.077
  264    HE1  PHE  32           HE2      PHE  32  45.367  -0.344  -0.969
  265    HE2  PHE  32           HE1      PHE  32  42.796  -2.500   1.709
  266    HZ   PHE  32           HZ       PHE  32  45.028  -2.159   0.687
  267    H    ARG  33           HN       ARG  33  39.023  -0.575  -2.240
  268    HA   ARG  33           HA       ARG  33  40.812  -2.617  -3.388
  269    HB2  ARG  33           HB2      ARG  33  38.008  -2.822  -2.280
  270    HB3  ARG  33           HB1      ARG  33  39.031  -4.185  -2.730
  271    HG2  ARG  33           HG2      ARG  33  39.693  -2.117  -0.608
  272    HG3  ARG  33           HG1      ARG  33  39.126  -3.756  -0.286
  273    HD2  ARG  33           HD2      ARG  33  41.500  -3.863  -0.057
  274    HD3  ARG  33           HD1      ARG  33  41.158  -4.561  -1.641
  275    HE   ARG  33           HE       ARG  33  41.703  -1.682  -1.707
  276   HH11  ARG  33          HH21      ARG  33  43.048  -4.860  -1.700
  277   HH12  ARG  33          HH22      ARG  33  44.412  -4.424  -2.674
  278   HH21  ARG  33          HH11      ARG  33  43.450  -1.095  -2.994
  279   HH22  ARG  33          HH12      ARG  33  44.647  -2.287  -3.394
  280    H    SER  34           HN       SER  34  39.384  -0.342  -4.867
  281    HA   SER  34           HA       SER  34  38.879  -1.996  -7.235
  282    HB2  SER  34           HB2      SER  34  36.725  -0.772  -5.685
  283    HB3  SER  34           HB1      SER  34  36.745  -0.221  -7.357
  284    HG   SER  34           HG       SER  34  35.927  -2.086  -7.852
  285    H    MET  35           HN       MET  35  40.363   0.548  -5.873
  286    HA   MET  35           HA       MET  35  40.726   1.978  -8.424
  287    HB2  MET  35           HB2      MET  35  39.681   3.338  -5.904
  288    HB3  MET  35           HB1      MET  35  40.233   4.184  -7.355
  289    HG2  MET  35           HG2      MET  35  37.943   2.192  -7.289
  290    HG3  MET  35           HG1      MET  35  37.751   3.948  -7.274
  291    HE1  MET  35           HE1      MET  35  38.436   5.271 -10.539
  292    HE2  MET  35           HE2      MET  35  39.892   5.111  -9.561
  293    HE3  MET  35           HE3      MET  35  38.353   5.471  -8.783
  294    H    PHE  36           HN       PHE  36  41.389   2.115  -4.898
  295    HA   PHE  36           HA       PHE  36  44.054   3.232  -5.495
  296    HB2  PHE  36           HB2      PHE  36  42.319   3.773  -3.478
  297    HB3  PHE  36           HB1      PHE  36  43.383   2.600  -2.694
  298    HD1  PHE  36           HD1      PHE  36  43.428   5.740  -4.725
  299    HD2  PHE  36           HD2      PHE  36  45.519   3.230  -1.933
  300    HE1  PHE  36           HE1      PHE  36  45.184   7.475  -4.476
  301    HE2  PHE  36           HE2      PHE  36  47.270   4.962  -1.687
  302    HZ   PHE  36           HZ       PHE  36  47.103   7.087  -2.957
  303    HA   PRO  37           HA       PRO  37  45.504  -1.046  -5.126
  304    HB2  PRO  37           HB2      PRO  37  47.704  -0.802  -6.611
  305    HB3  PRO  37           HB1      PRO  37  46.100  -0.698  -7.383
  306    HG2  PRO  37           HG2      PRO  37  47.904   1.529  -6.507
  307    HG3  PRO  37           HG1      PRO  37  47.100   1.293  -8.057
  308    HD2  PRO  37           HD2      PRO  37  46.053   2.901  -6.115
  309    HD3  PRO  37           HD1      PRO  37  45.036   2.005  -7.271
  310    H    SER  38           HN       SER  38  47.425   1.894  -4.653
  311    HA   SER  38           HA       SER  38  49.065   2.422  -3.075
  312    HB2  SER  38           HB2      SER  38  47.182   0.615  -1.839
  313    HB3  SER  38           HB1      SER  38  48.794   0.382  -1.150
  314    HG   SER  38           HG       SER  38  48.804   2.438  -0.458
  315    H    ALA  39           HN       ALA  39  50.191   1.313  -5.137
  316    HA   ALA  39           HA       ALA  39  51.459  -1.246  -4.725
  317    HB1  ALA  39           HB1      ALA  39  52.263   1.055  -6.540
  318    HB2  ALA  39           HB2      ALA  39  51.183  -0.269  -6.980
  319    HB3  ALA  39           HB3      ALA  39  52.883  -0.594  -6.641
  320    H    GLU  40           HN       GLU  40  52.384  -1.099  -2.621
  321    HA   GLU  40           HA       GLU  40  54.204  -0.787  -1.168
  322    HB2  GLU  40           HB2      GLU  40  55.387  -0.456  -3.641
  323    HB3  GLU  40           HB1      GLU  40  55.708   1.094  -2.865
  324    HG2  GLU  40           HG2      GLU  40  57.539  -0.276  -2.231
  325    HG3  GLU  40           HG1      GLU  40  56.474  -0.284  -0.825
  Start of MODEL    5
    1    H1   THR   1           HT1      THR   1  17.548  10.426  -4.198
    2    H2   THR   1           HT2      THR   1  16.059  10.625  -4.988
    3    H3   THR   1           HT3      THR   1  17.503  10.630  -5.880
    4    HA   THR   1           HA       THR   1  15.898   8.481  -5.491
    5    HB   THR   1           HB       THR   1  18.653   7.744  -6.019
    6    HG1  THR   1           HG1      THR   1  19.335   9.429  -7.036
    7   HG21  THR   1          HG21      THR   1  16.444   6.791  -6.926
    8   HG22  THR   1          HG22      THR   1  17.743   7.019  -8.096
    9   HG23  THR   1          HG23      THR   1  16.419   8.180  -8.014
   10    H    VAL   2           HN       VAL   2  16.316   9.310  -2.825
   11    HA   VAL   2           HA       VAL   2  18.281   8.105  -1.284
   12    HB   VAL   2           HB       VAL   2  15.398   7.864  -0.436
   13   HG11  VAL   2          HG11      VAL   2  17.882   8.815   1.028
   14   HG12  VAL   2          HG12      VAL   2  17.298   7.152   1.059
   15   HG13  VAL   2          HG13      VAL   2  16.310   8.446   1.737
   16   HG21  VAL   2          HG21      VAL   2  15.254  10.026  -1.297
   17   HG22  VAL   2          HG22      VAL   2  16.967  10.358  -1.033
   18   HG23  VAL   2          HG23      VAL   2  15.848  10.352   0.330
   19    H    PHE   3           HN       PHE   3  15.399   6.540  -2.665
   20    HA   PHE   3           HA       PHE   3  15.658   3.989  -1.483
   21    HB2  PHE   3           HB2      PHE   3  14.998   4.081  -4.398
   22    HB3  PHE   3           HB1      PHE   3  14.158   3.257  -3.082
   23    HD1  PHE   3           HD1      PHE   3  13.387   5.115  -1.156
   24    HD2  PHE   3           HD2      PHE   3  13.736   5.772  -5.390
   25    HE1  PHE   3           HE1      PHE   3  11.793   7.006  -0.995
   26    HE2  PHE   3           HE2      PHE   3  12.141   7.661  -5.228
   27    HZ   PHE   3           HZ       PHE   3  11.169   8.279  -3.031
   28    H    ALA   4           HN       ALA   4  17.461   5.470  -4.122
   29    HA   ALA   4           HA       ALA   4  18.938   3.077  -4.848
   30    HB1  ALA   4           HB1      ALA   4  18.724   5.182  -6.268
   31    HB2  ALA   4           HB2      ALA   4  20.358   4.544  -6.108
   32    HB3  ALA   4           HB3      ALA   4  19.864   5.945  -5.158
   33    H    PHE   5           HN       PHE   5  19.419   5.783  -2.621
   34    HA   PHE   5           HA       PHE   5  22.021   5.032  -1.649
   35    HB2  PHE   5           HB2      PHE   5  20.318   7.115  -1.131
   36    HB3  PHE   5           HB1      PHE   5  20.114   6.144   0.326
   37    HD1  PHE   5           HD2      PHE   5  22.766   7.590  -1.896
   38    HD2  PHE   5           HD1      PHE   5  21.703   6.255   2.048
   39    HE1  PHE   5           HE2      PHE   5  24.941   8.417  -1.027
   40    HE2  PHE   5           HE1      PHE   5  23.872   7.078   2.913
   41    HZ   PHE   5           HZ       PHE   5  25.495   8.159   1.378
   42    H    ALA   6           HN       ALA   6  18.783   4.409  -0.261
   43    HA   ALA   6           HA       ALA   6  19.550   2.619   1.766
   44    HB1  ALA   6           HB1      ALA   6  17.098   2.540  -0.022
   45    HB2  ALA   6           HB2      ALA   6  17.231   3.311   1.558
   46    HB3  ALA   6           HB3      ALA   6  17.293   1.554   1.427
   47    H    SER   7           HN       SER   7  18.922   1.946  -1.666
   48    HA   SER   7           HA       SER   7  19.400  -0.873  -1.561
   49    HB2  SER   7           HB2      SER   7  19.963   0.965  -3.891
   50    HB3  SER   7           HB1      SER   7  19.571  -0.757  -3.954
   51    HG   SER   7           HG       SER   7  17.920   1.450  -3.257
   52    H    MET   8           HN       MET   8  21.604   1.694  -2.735
   53    HA   MET   8           HA       MET   8  23.896   0.044  -2.926
   54    HB2  MET   8           HB2      MET   8  23.338   2.903  -2.958
   55    HB3  MET   8           HB1      MET   8  24.849   2.545  -2.115
   56    HG2  MET   8           HG2      MET   8  25.834   1.560  -3.968
   57    HG3  MET   8           HG1      MET   8  24.270   1.152  -4.703
   58    HE1  MET   8           HE1      MET   8  26.440   5.150  -4.508
   59    HE2  MET   8           HE2      MET   8  26.516   3.773  -3.411
   60    HE3  MET   8           HE3      MET   8  25.188   4.922  -3.278
   61    H    LEU   9           HN       LEU   9  22.406   1.607  -0.189
   62    HA   LEU   9           HA       LEU   9  24.650   1.260   1.600
   63    HB2  LEU   9           HB2      LEU   9  21.845   2.163   1.736
   64    HB3  LEU   9           HB1      LEU   9  22.413   1.370   3.204
   65    HG   LEU   9           HG       LEU   9  22.778   3.921   2.994
   66   HD11  LEU   9          HD11      LEU   9  23.828   2.695   4.770
   67   HD12  LEU   9          HD12      LEU   9  25.072   3.711   4.043
   68   HD13  LEU   9          HD13      LEU   9  25.006   1.990   3.664
   69   HD21  LEU   9          HD21      LEU   9  25.282   3.195   1.514
   70   HD22  LEU   9          HD22      LEU   9  24.444   4.742   1.600
   71   HD23  LEU   9          HD23      LEU   9  23.798   3.448   0.592
   72    H    CYS  10           HN       CYS  10  21.545  -0.463   1.234
   73    HA   CYS  10           HA       CYS  10  22.068  -2.647   2.962
   74    HB2  CYS  10           HB2      CYS  10  20.633  -2.732   0.287
   75    HB3  CYS  10           HB1      CYS  10  20.453  -3.892   1.606
   76    HG   CYS  10           HG       CYS  10  19.763  -0.954   2.296
   77    H    LEU  11           HN       LEU  11  22.931  -2.145  -0.448
   78    HA   LEU  11           HA       LEU  11  24.238  -4.709  -0.761
   79    HB2  LEU  11           HB2      LEU  11  23.414  -3.300  -2.661
   80    HB3  LEU  11           HB1      LEU  11  24.687  -2.137  -2.312
   81    HG   LEU  11           HG       LEU  11  25.819  -4.793  -2.485
   82   HD11  LEU  11          HD11      LEU  11  24.018  -5.418  -3.945
   83   HD12  LEU  11          HD12      LEU  11  25.400  -5.048  -4.977
   84   HD13  LEU  11          HD13      LEU  11  24.094  -3.876  -4.799
   85   HD21  LEU  11          HD21      LEU  11  27.014  -2.630  -2.768
   86   HD22  LEU  11          HD22      LEU  11  26.110  -2.345  -4.258
   87   HD23  LEU  11          HD23      LEU  11  27.240  -3.697  -4.155
   88    H    LEU  12           HN       LEU  12  25.523  -1.415  -0.359
   89    HA   LEU  12           HA       LEU  12  28.263  -2.059  -0.159
   90    HB2  LEU  12           HB2      LEU  12  26.539   0.184   0.803
   91    HB3  LEU  12           HB1      LEU  12  28.147   0.046   1.495
   92    HG   LEU  12           HG       LEU  12  27.670  -0.009  -1.494
   93   HD11  LEU  12          HD11      LEU  12  26.832   2.128  -0.706
   94   HD12  LEU  12          HD12      LEU  12  28.417   2.392  -1.433
   95   HD13  LEU  12          HD13      LEU  12  28.247   2.352   0.322
   96   HD21  LEU  12          HD21      LEU  12  29.863  -0.787  -0.195
   97   HD22  LEU  12          HD22      LEU  12  30.164   0.951  -0.133
   98   HD23  LEU  12          HD23      LEU  12  29.976   0.143  -1.689
   99    H    ASN  13           HN       ASN  13  25.653  -2.574   1.989
  100    HA   ASN  13           HA       ASN  13  27.403  -2.943   4.338
  101    HB2  ASN  13           HB2      ASN  13  24.424  -2.952   3.876
  102    HB3  ASN  13           HB1      ASN  13  25.111  -3.595   5.355
  103   HD21  ASN  13          HD21      ASN  13  26.383  -0.925   3.488
  104   HD22  ASN  13          HD22      ASN  13  26.159   0.284   4.690
  105    H    SER  14           HN       SER  14  25.001  -4.842   2.536
  106    HA   SER  14           HA       SER  14  25.526  -7.239   3.876
  107    HB2  SER  14           HB2      SER  14  24.737  -8.259   1.556
  108    HB3  SER  14           HB1      SER  14  23.596  -7.354   2.556
  109    HG   SER  14           HG       SER  14  23.904  -5.570   1.282
  110    H    THR  15           HN       THR  15  27.075  -5.695   1.175
  111    HA   THR  15           HA       THR  15  28.872  -7.781   0.394
  112    HB   THR  15           HB       THR  15  30.286  -5.781  -0.343
  113    HG1  THR  15           HG1      THR  15  28.005  -4.272   0.300
  114   HG21  THR  15          HG21      THR  15  28.834  -6.699  -1.965
  115   HG22  THR  15          HG22      THR  15  28.424  -4.984  -1.933
  116   HG23  THR  15          HG23      THR  15  27.400  -6.149  -1.097
  117    H    VAL  16           HN       VAL  16  29.707  -4.850   2.238
  118    HA   VAL  16           HA       VAL  16  30.979  -6.377   4.369
  119    HB   VAL  16           HB       VAL  16  33.131  -4.828   3.421
  120   HG11  VAL  16          HG11      VAL  16  33.934  -7.322   2.865
  121   HG12  VAL  16          HG12      VAL  16  32.491  -7.713   3.799
  122   HG13  VAL  16          HG13      VAL  16  33.772  -6.739   4.520
  123   HG21  VAL  16          HG21      VAL  16  32.222  -6.690   1.217
  124   HG22  VAL  16          HG22      VAL  16  33.525  -5.503   1.177
  125   HG23  VAL  16          HG23      VAL  16  31.846  -4.966   1.195
  126    H    ASN  17           HN       ASN  17  29.485  -4.845   5.471
  127    HA   ASN  17           HA       ASN  17  31.093  -2.468   6.098
  128    HB2  ASN  17           HB2      ASN  17  28.987  -2.054   4.445
  129    HB3  ASN  17           HB1      ASN  17  28.254  -1.747   6.024
  130   HD21  ASN  17          HD21      ASN  17  30.959  -1.027   7.156
  131   HD22  ASN  17          HD22      ASN  17  31.254   0.574   6.578
  132    HA   PRO  18           HA       PRO  18  27.906  -3.207   9.651
  133    HB2  PRO  18           HB2      PRO  18  27.439  -6.106   9.426
  134    HB3  PRO  18           HB1      PRO  18  26.265  -4.808   9.718
  135    HG2  PRO  18           HG2      PRO  18  26.420  -6.153   7.392
  136    HG3  PRO  18           HG1      PRO  18  25.902  -4.458   7.493
  137    HD2  PRO  18           HD2      PRO  18  28.512  -5.594   6.577
  138    HD3  PRO  18           HD1      PRO  18  27.666  -4.133   6.017
  139    H    ILE  19           HN       ILE  19  30.601  -4.557   8.569
  140    HA   ILE  19           HA       ILE  19  31.282  -5.990  11.038
  141    HB   ILE  19           HB       ILE  19  33.486  -6.135   9.496
  142   HG12  ILE  19          HG12      ILE  19  32.111  -4.818   7.720
  143   HG13  ILE  19          HG11      ILE  19  33.046  -6.216   7.205
  144   HG21  ILE  19          HG21      ILE  19  32.582  -8.118  10.368
  145   HG22  ILE  19          HG22      ILE  19  32.393  -8.323   8.625
  146   HG23  ILE  19          HG23      ILE  19  31.015  -7.833   9.611
  147   HD11  ILE  19          HD11      ILE  19  31.167  -7.581   7.006
  148   HD12  ILE  19          HD12      ILE  19  30.556  -6.028   6.449
  149   HD13  ILE  19          HD13      ILE  19  30.197  -6.579   8.081
  150    H    ILE  20           HN       ILE  20  33.785  -4.406   9.227
  151    HA   ILE  20           HA       ILE  20  34.201  -2.527  11.525
  152    HB   ILE  20           HB       ILE  20  36.511  -3.345   9.823
  153   HG12  ILE  20          HG12      ILE  20  36.584  -5.335  11.691
  154   HG13  ILE  20          HG11      ILE  20  34.853  -5.269  11.372
  155   HG21  ILE  20          HG21      ILE  20  36.077  -3.010  12.808
  156   HG22  ILE  20          HG22      ILE  20  36.793  -1.816  11.722
  157   HG23  ILE  20          HG23      ILE  20  37.631  -3.337  12.038
  158   HD11  ILE  20          HD11      ILE  20  35.546  -5.266   8.858
  159   HD12  ILE  20          HD12      ILE  20  35.636  -6.784   9.752
  160   HD13  ILE  20          HD13      ILE  20  37.101  -5.850   9.451
  161    H    TYR  21           HN       TYR  21  33.585  -2.750   8.204
  162    HA   TYR  21           HA       TYR  21  35.145  -0.458   7.353
  163    HB2  TYR  21           HB2      TYR  21  32.911  -2.058   6.098
  164    HB3  TYR  21           HB1      TYR  21  33.496  -0.587   5.355
  165    HD1  TYR  21           HD2      TYR  21  35.929  -2.493   7.272
  166    HD2  TYR  21           HD1      TYR  21  34.160  -2.012   3.384
  167    HE1  TYR  21           HE2      TYR  21  37.808  -3.734   6.258
  168    HE2  TYR  21           HE1      TYR  21  36.053  -3.252   2.373
  169    HH   TYR  21           HH       TYR  21  37.763  -4.867   3.036
  170    H    ALA  22           HN       ALA  22  33.022  -0.392   9.630
  171    HA   ALA  22           HA       ALA  22  31.241   1.006  10.336
  172    HB1  ALA  22           HB1      ALA  22  31.999   3.450  10.066
  173    HB2  ALA  22           HB2      ALA  22  33.411   2.795   9.238
  174    HB3  ALA  22           HB3      ALA  22  33.098   2.365  10.919
  175    H    LEU  23           HN       LEU  23  32.152   3.154   7.726
  176    HA   LEU  23           HA       LEU  23  30.426   2.461   5.675
  177    HB2  LEU  23           HB2      LEU  23  28.911   3.346   7.973
  178    HB3  LEU  23           HB1      LEU  23  28.695   4.488   6.644
  179    HG   LEU  23           HG       LEU  23  28.486   1.512   6.193
  180   HD11  LEU  23          HD11      LEU  23  26.872   2.104   7.965
  181   HD12  LEU  23          HD12      LEU  23  26.040   1.736   6.454
  182   HD13  LEU  23          HD13      LEU  23  26.247   3.411   6.959
  183   HD21  LEU  23          HD21      LEU  23  27.228   3.879   4.774
  184   HD22  LEU  23          HD22      LEU  23  27.221   2.202   4.238
  185   HD23  LEU  23          HD23      LEU  23  28.730   3.109   4.267
  186    H    ARG  24           HN       ARG  24  31.521   5.110   7.689
  187    HA   ARG  24           HA       ARG  24  31.119   7.323   6.114
  188    HB2  ARG  24           HB2      ARG  24  33.696   6.745   7.596
  189    HB3  ARG  24           HB1      ARG  24  33.095   8.338   7.141
  190    HG2  ARG  24           HG2      ARG  24  31.058   7.912   8.515
  191    HG3  ARG  24           HG1      ARG  24  31.778   6.397   9.053
  192    HD2  ARG  24           HD2      ARG  24  32.725   9.211   9.601
  193    HD3  ARG  24           HD1      ARG  24  32.320   7.942  10.760
  194    HE   ARG  24           HE       ARG  24  34.504   7.064   9.111
  195   HH11  ARG  24          HH21      ARG  24  33.649   9.277  11.624
  196   HH12  ARG  24          HH22      ARG  24  35.229   9.287  12.332
  197   HH21  ARG  24          HH11      ARG  24  36.569   7.072  10.013
  198   HH22  ARG  24          HH12      ARG  24  36.887   8.034  11.418
  199    H    SER  25           HN       SER  25  34.349   5.842   6.081
  200    HA   SER  25           HA       SER  25  34.547   6.743   3.245
  201    HB2  SER  25           HB2      SER  25  36.918   7.066   3.695
  202    HB3  SER  25           HB1      SER  25  35.952   7.898   4.933
  203    HG   SER  25           HG       SER  25  37.385   5.446   5.112
  204    H    LYS  26           HN       LYS  26  33.745   3.973   4.439
  205    HA   LYS  26           HA       LYS  26  35.955   2.270   3.638
  206    HB2  LYS  26           HB2      LYS  26  34.571   0.441   4.133
  207    HB3  LYS  26           HB1      LYS  26  34.113   1.672   5.302
  208    HG2  LYS  26           HG2      LYS  26  32.029   0.979   4.564
  209    HG3  LYS  26           HG1      LYS  26  32.324   2.305   3.445
  210    HD2  LYS  26           HD2      LYS  26  32.134   0.860   1.724
  211    HD3  LYS  26           HD1      LYS  26  33.548  -0.005   2.324
  212    HE2  LYS  26           HE2      LYS  26  31.983  -1.715   2.375
  213    HE3  LYS  26           HE1      LYS  26  31.777  -1.063   3.998
  214    HZ1  LYS  26           HZ1      LYS  26  29.705  -1.426   2.534
  215    HZ2  LYS  26           HZ2      LYS  26  30.194   0.008   1.753
  216    HZ3  LYS  26           HZ3      LYS  26  29.842   0.027   3.419
  217    H    ASP  27           HN       ASP  27  33.315   3.789   2.047
  218    HA   ASP  27           HA       ASP  27  32.999   2.131  -0.239
  219    HB2  ASP  27           HB2      ASP  27  31.489   3.808  -0.484
  220    HB3  ASP  27           HB1      ASP  27  32.447   4.906   0.511
  221    H    LEU  28           HN       LEU  28  35.272   4.770   0.420
  222    HA   LEU  28           HA       LEU  28  36.850   4.371  -1.981
  223    HB2  LEU  28           HB2      LEU  28  36.774   6.309  -0.017
  224    HB3  LEU  28           HB1      LEU  28  38.237   5.419   0.413
  225    HG   LEU  28           HG       LEU  28  37.605   6.625  -2.297
  226   HD11  LEU  28          HD11      LEU  28  38.563   8.469  -1.461
  227   HD12  LEU  28          HD12      LEU  28  40.046   7.551  -1.204
  228   HD13  LEU  28          HD13      LEU  28  38.843   7.663   0.082
  229   HD21  LEU  28          HD21      LEU  28  38.890   4.680  -2.746
  230   HD22  LEU  28          HD22      LEU  28  39.867   4.889  -1.294
  231   HD23  LEU  28          HD23      LEU  28  40.083   5.975  -2.666
  232    H    ARG  29           HN       ARG  29  37.012   3.291   1.403
  233    HA   ARG  29           HA       ARG  29  39.475   1.974   1.375
  234    HB2  ARG  29           HB2      ARG  29  37.936   2.215   3.363
  235    HB3  ARG  29           HB1      ARG  29  37.007   0.863   2.714
  236    HG2  ARG  29           HG2      ARG  29  39.601  -0.089   2.589
  237    HG3  ARG  29           HG1      ARG  29  39.598   0.835   4.088
  238    HD2  ARG  29           HD2      ARG  29  37.676  -0.388   4.905
  239    HD3  ARG  29           HD1      ARG  29  37.502  -1.218   3.364
  240    HE   ARG  29           HE       ARG  29  39.233  -2.692   4.005
  241   HH11  ARG  29          HH21      ARG  29  39.147   0.142   5.995
  242   HH12  ARG  29          HH22      ARG  29  40.180  -0.518   7.217
  243   HH21  ARG  29          HH11      ARG  29  40.600  -3.564   5.579
  244   HH22  ARG  29          HH12      ARG  29  41.013  -2.626   6.975
  245    H    HIS  30           HN       HIS  30  36.445   0.079   1.095
  246    HA   HIS  30           HA       HIS  30  37.762  -2.215   0.188
  247    HB2  HIS  30           HB2      HIS  30  35.652  -3.100  -0.485
  248    HB3  HIS  30           HB1      HIS  30  35.328  -2.050   0.900
  249    HD1  HIS  30           HD1      HIS  30  35.225  -1.951  -2.911
  250    HD2  HIS  30           HD2      HIS  30  33.530  -0.009   0.372
  251    HE1  HIS  30           HE1      HIS  30  33.489  -0.348  -3.838
  252    HE2  HIS  30           HE2      HIS  30  32.455   0.843  -1.855
  253    H    ALA  31           HN       ALA  31  36.421   0.444  -1.757
  254    HA   ALA  31           HA       ALA  31  37.075  -0.583  -4.337
  255    HB1  ALA  31           HB1      ALA  31  37.230   1.811  -5.006
  256    HB2  ALA  31           HB2      ALA  31  37.194   2.276  -3.305
  257    HB3  ALA  31           HB3      ALA  31  35.790   1.501  -4.039
  258    H    PHE  32           HN       PHE  32  38.959   1.143  -1.918
  259    HA   PHE  32           HA       PHE  32  41.433   1.187  -3.403
  260    HB2  PHE  32           HB2      PHE  32  40.635   2.516  -1.306
  261    HB3  PHE  32           HB1      PHE  32  41.221   1.115  -0.430
  262    HD1  PHE  32           HD1      PHE  32  43.640   0.375  -1.989
  263    HD2  PHE  32           HD2      PHE  32  42.129   4.226  -0.834
  264    HE1  PHE  32           HE1      PHE  32  45.935   1.297  -2.072
  265    HE2  PHE  32           HE2      PHE  32  44.428   5.153  -0.924
  266    HZ   PHE  32           HZ       PHE  32  46.329   3.688  -1.536
  267    H    ARG  33           HN       ARG  33  40.697  -0.658  -0.437
  268    HA   ARG  33           HA       ARG  33  42.777  -2.502  -0.621
  269    HB2  ARG  33           HB2      ARG  33  39.993  -3.047   0.437
  270    HB3  ARG  33           HB1      ARG  33  41.459  -3.924   0.869
  271    HG2  ARG  33           HG2      ARG  33  41.123  -0.938   1.297
  272    HG3  ARG  33           HG1      ARG  33  40.765  -2.141   2.537
  273    HD2  ARG  33           HD2      ARG  33  43.429  -1.526   1.249
  274    HD3  ARG  33           HD1      ARG  33  43.011  -1.458   2.959
  275    HE   ARG  33           HE       ARG  33  42.643  -4.054   2.624
  276   HH11  ARG  33          HH21      ARG  33  45.005  -2.025   1.103
  277   HH12  ARG  33          HH22      ARG  33  46.144  -3.305   0.873
  278   HH21  ARG  33          HH11      ARG  33  44.117  -5.729   2.317
  279   HH22  ARG  33          HH12      ARG  33  45.641  -5.409   1.559
  280    H    SER  34           HN       SER  34  39.924  -2.371  -2.558
  281    HA   SER  34           HA       SER  34  40.460  -5.148  -3.521
  282    HB2  SER  34           HB2      SER  34  38.157  -4.322  -2.534
  283    HB3  SER  34           HB1      SER  34  37.951  -3.629  -4.146
  284    HG   SER  34           HG       SER  34  37.540  -5.572  -4.835
  285    H    MET  35           HN       MET  35  40.503  -1.814  -4.429
  286    HA   MET  35           HA       MET  35  41.010  -2.606  -7.272
  287    HB2  MET  35           HB2      MET  35  39.531  -0.093  -6.440
  288    HB3  MET  35           HB1      MET  35  39.704  -0.755  -8.072
  289    HG2  MET  35           HG2      MET  35  38.489  -2.666  -6.197
  290    HG3  MET  35           HG1      MET  35  37.544  -1.186  -6.386
  291    HE1  MET  35           HE1      MET  35  39.814  -3.487  -8.772
  292    HE2  MET  35           HE2      MET  35  38.491  -4.427  -9.456
  293    HE3  MET  35           HE3      MET  35  38.752  -4.426  -7.714
  294    H    PHE  36           HN       PHE  36  41.034   0.422  -5.357
  295    HA   PHE  36           HA       PHE  36  43.121   1.587  -6.819
  296    HB2  PHE  36           HB2      PHE  36  41.558   2.427  -4.735
  297    HB3  PHE  36           HB1      PHE  36  43.145   2.312  -3.964
  298    HD1  PHE  36           HD1      PHE  36  45.144   3.374  -5.259
  299    HD2  PHE  36           HD2      PHE  36  41.019   4.298  -6.031
  300    HE1  PHE  36           HE1      PHE  36  45.822   5.489  -6.363
  301    HE2  PHE  36           HE2      PHE  36  41.697   6.411  -7.134
  302    HZ   PHE  36           HZ       PHE  36  44.096   7.004  -7.301
  303    HA   PRO  37           HA       PRO  37  46.477  -0.922  -5.168
  304    HB2  PRO  37           HB2      PRO  37  48.254  -0.441  -7.089
  305    HB3  PRO  37           HB1      PRO  37  46.777  -1.359  -7.476
  306    HG2  PRO  37           HG2      PRO  37  47.383   1.532  -7.947
  307    HG3  PRO  37           HG1      PRO  37  46.657   0.352  -9.026
  308    HD2  PRO  37           HD2      PRO  37  45.186   2.149  -7.527
  309    HD3  PRO  37           HD1      PRO  37  44.546   0.596  -8.122
  310    H    SER  38           HN       SER  38  46.920   2.375  -6.431
  311    HA   SER  38           HA       SER  38  48.277   4.136  -5.702
  312    HB2  SER  38           HB2      SER  38  47.426   2.653  -3.275
  313    HB3  SER  38           HB1      SER  38  48.744   3.814  -3.063
  314    HG   SER  38           HG       SER  38  46.083   4.227  -3.422
  315    H    ALA  39           HN       ALA  39  49.503   1.904  -6.899
  316    HA   ALA  39           HA       ALA  39  51.608   0.692  -5.480
  317    HB1  ALA  39           HB1      ALA  39  52.723   0.692  -7.857
  318    HB2  ALA  39           HB2      ALA  39  51.174   1.356  -8.377
  319    HB3  ALA  39           HB3      ALA  39  51.239  -0.225  -7.598
  320    H    GLU  40           HN       GLU  40  51.750   3.604  -7.543
  321    HA   GLU  40           HA       GLU  40  53.619   4.927  -5.762
  322    HB2  GLU  40           HB2      GLU  40  54.984   3.139  -7.102
  323    HB3  GLU  40           HB1      GLU  40  54.778   4.239  -8.463
  324    HG2  GLU  40           HG2      GLU  40  55.852   6.040  -7.239
  325    HG3  GLU  40           HG1      GLU  40  55.934   5.053  -5.782
  Start of MODEL    6
    1    H1   THR   1           HT1      THR   1  19.637   9.722  -5.567
    2    H2   THR   1           HT2      THR   1  18.227  10.285  -6.323
    3    H3   THR   1           HT3      THR   1  19.494   9.646  -7.252
    4    HA   THR   1           HA       THR   1  17.307   8.303  -6.224
    5    HB   THR   1           HB       THR   1  19.583   6.698  -7.182
    6    HG1  THR   1           HG1      THR   1  20.270   8.244  -8.443
    7   HG21  THR   1          HG21      THR   1  17.390   5.782  -7.352
    8   HG22  THR   1          HG22      THR   1  17.838   6.234  -8.997
    9   HG23  THR   1          HG23      THR   1  16.748   7.261  -8.067
   10    H    VAL   2           HN       VAL   2  18.194   9.041  -3.832
   11    HA   VAL   2           HA       VAL   2  20.165   7.599  -2.469
   12    HB   VAL   2           HB       VAL   2  17.416   8.196  -1.325
   13   HG11  VAL   2          HG11      VAL   2  18.826   8.589   0.741
   14   HG12  VAL   2          HG12      VAL   2  20.205   7.949  -0.152
   15   HG13  VAL   2          HG13      VAL   2  18.813   6.917   0.181
   16   HG21  VAL   2          HG21      VAL   2  19.467   9.996  -2.373
   17   HG22  VAL   2          HG22      VAL   2  19.152  10.284  -0.662
   18   HG23  VAL   2          HG23      VAL   2  17.831  10.364  -1.827
   19    H    PHE   3           HN       PHE   3  16.988   6.526  -3.552
   20    HA   PHE   3           HA       PHE   3  16.648   4.149  -2.109
   21    HB2  PHE   3           HB2      PHE   3  15.498   5.269  -4.390
   22    HB3  PHE   3           HB1      PHE   3  16.186   3.753  -4.978
   23    HD1  PHE   3           HD1      PHE   3  15.704   1.618  -3.580
   24    HD2  PHE   3           HD2      PHE   3  13.457   5.262  -3.219
   25    HE1  PHE   3           HE1      PHE   3  13.831   0.363  -2.550
   26    HE2  PHE   3           HE2      PHE   3  11.586   4.006  -2.189
   27    HZ   PHE   3           HZ       PHE   3  11.769   1.556  -1.856
   28    H    ALA   4           HN       ALA   4  18.802   4.807  -4.849
   29    HA   ALA   4           HA       ALA   4  19.796   2.103  -5.103
   30    HB1  ALA   4           HB1      ALA   4  20.110   3.790  -6.885
   31    HB2  ALA   4           HB2      ALA   4  21.662   3.148  -6.344
   32    HB3  ALA   4           HB3      ALA   4  21.131   4.741  -5.804
   33    H    PHE   5           HN       PHE   5  20.954   5.005  -3.393
   34    HA   PHE   5           HA       PHE   5  23.236   3.796  -2.162
   35    HB2  PHE   5           HB2      PHE   5  22.175   6.321  -2.143
   36    HB3  PHE   5           HB1      PHE   5  21.744   5.767  -0.527
   37    HD1  PHE   5           HD2      PHE   5  23.997   3.953   0.120
   38    HD2  PHE   5           HD1      PHE   5  23.992   7.788  -1.815
   39    HE1  PHE   5           HE2      PHE   5  26.330   4.331   0.863
   40    HE2  PHE   5           HE1      PHE   5  26.326   8.165  -1.073
   41    HZ   PHE   5           HZ       PHE   5  27.496   6.438   0.265
   42    H    ALA   6           HN       ALA   6  20.009   4.402  -0.730
   43    HA   ALA   6           HA       ALA   6  20.299   2.946   1.633
   44    HB1  ALA   6           HB1      ALA   6  17.988   3.008   1.817
   45    HB2  ALA   6           HB2      ALA   6  17.737   2.612   0.117
   46    HB3  ALA   6           HB3      ALA   6  18.220   4.244   0.582
   47    H    SER   7           HN       SER   7  19.449   1.700  -1.594
   48    HA   SER   7           HA       SER   7  19.077  -1.027  -0.797
   49    HB2  SER   7           HB2      SER   7  20.069   0.064  -3.443
   50    HB3  SER   7           HB1      SER   7  19.406  -1.553  -3.171
   51    HG   SER   7           HG       SER   7  18.110   0.978  -2.992
   52    H    MET   8           HN       MET   8  21.912   0.492  -2.381
   53    HA   MET   8           HA       MET   8  23.674  -1.713  -2.051
   54    HB2  MET   8           HB2      MET   8  23.913   1.166  -2.643
   55    HB3  MET   8           HB1      MET   8  25.327   0.482  -1.840
   56    HG2  MET   8           HG2      MET   8  25.641  -1.146  -3.556
   57    HG3  MET   8           HG1      MET   8  24.032  -0.845  -4.234
   58    HE1  MET   8           HE1      MET   8  23.429   0.777  -5.875
   59    HE2  MET   8           HE2      MET   8  24.567  -0.334  -6.634
   60    HE3  MET   8           HE3      MET   8  24.659   1.388  -6.989
   61    H    LEU   9           HN       LEU   9  22.768   0.888   0.116
   62    HA   LEU   9           HA       LEU   9  24.764   0.418   2.124
   63    HB2  LEU   9           HB2      LEU   9  22.443   2.101   1.745
   64    HB3  LEU   9           HB1      LEU   9  22.404   1.392   3.364
   65    HG   LEU   9           HG       LEU   9  24.896   2.685   2.239
   66   HD11  LEU   9          HD11      LEU   9  23.113   4.370   2.250
   67   HD12  LEU   9          HD12      LEU   9  24.264   4.693   3.546
   68   HD13  LEU   9          HD13      LEU   9  22.707   3.949   3.913
   69   HD21  LEU   9          HD21      LEU   9  24.890   2.984   4.962
   70   HD22  LEU   9          HD22      LEU   9  25.662   1.642   4.119
   71   HD23  LEU   9          HD23      LEU   9  24.041   1.449   4.788
   72    H    CYS  10           HN       CYS  10  21.288  -0.428   2.116
   73    HA   CYS  10           HA       CYS  10  21.266  -2.086   4.377
   74    HB2  CYS  10           HB2      CYS  10  19.694  -2.122   1.806
   75    HB3  CYS  10           HB1      CYS  10  19.431  -3.365   3.033
   76    HG   CYS  10           HG       CYS  10  18.337  -1.687   4.527
   77    H    LEU  11           HN       LEU  11  22.407  -2.779   1.124
   78    HA   LEU  11           HA       LEU  11  22.792  -5.631   1.742
   79    HB2  LEU  11           HB2      LEU  11  22.318  -4.310  -0.589
   80    HB3  LEU  11           HB1      LEU  11  24.072  -4.440  -0.663
   81    HG   LEU  11           HG       LEU  11  23.706  -6.936  -0.038
   82   HD11  LEU  11          HD11      LEU  11  20.993  -6.400  -1.253
   83   HD12  LEU  11          HD12      LEU  11  21.233  -6.449   0.494
   84   HD13  LEU  11          HD13      LEU  11  21.572  -7.878  -0.485
   85   HD21  LEU  11          HD21      LEU  11  23.281  -7.492  -2.437
   86   HD22  LEU  11          HD22      LEU  11  24.483  -6.216  -2.248
   87   HD23  LEU  11          HD23      LEU  11  22.831  -5.812  -2.722
   88    H    LEU  12           HN       LEU  12  25.039  -3.127   0.545
   89    HA   LEU  12           HA       LEU  12  27.420  -4.440   1.162
   90    HB2  LEU  12           HB2      LEU  12  26.716  -1.511   1.055
   91    HB3  LEU  12           HB1      LEU  12  28.354  -2.038   1.412
   92    HG   LEU  12           HG       LEU  12  26.772  -2.851  -1.042
   93   HD11  LEU  12          HD11      LEU  12  29.031  -0.856  -0.718
   94   HD12  LEU  12          HD12      LEU  12  27.356  -0.477  -1.120
   95   HD13  LEU  12          HD13      LEU  12  28.353  -1.382  -2.259
   96   HD21  LEU  12          HD21      LEU  12  29.565  -3.192  -1.382
   97   HD22  LEU  12          HD22      LEU  12  28.337  -4.450  -1.265
   98   HD23  LEU  12          HD23      LEU  12  29.166  -3.893   0.185
   99    H    ASN  13           HN       ASN  13  25.351  -2.549   3.317
  100    HA   ASN  13           HA       ASN  13  27.364  -2.444   5.416
  101    HB2  ASN  13           HB2      ASN  13  25.173  -0.952   4.973
  102    HB3  ASN  13           HB1      ASN  13  24.497  -2.102   6.105
  103   HD21  ASN  13          HD21      ASN  13  27.734  -0.535   5.882
  104   HD22  ASN  13          HD22      ASN  13  27.717   0.063   7.489
  105    H    SER  14           HN       SER  14  24.263  -4.132   5.107
  106    HA   SER  14           HA       SER  14  24.760  -5.565   7.556
  107    HB2  SER  14           HB2      SER  14  22.695  -6.643   5.749
  108    HB3  SER  14           HB1      SER  14  22.571  -6.082   7.415
  109    HG   SER  14           HG       SER  14  22.236  -4.701   5.023
  110    H    THR  15           HN       THR  15  26.633  -5.848   5.218
  111    HA   THR  15           HA       THR  15  26.758  -8.823   5.257
  112    HB   THR  15           HB       THR  15  27.631  -8.676   2.894
  113    HG1  THR  15           HG1      THR  15  26.398  -6.182   2.670
  114   HG21  THR  15          HG21      THR  15  25.360  -9.395   3.190
  115   HG22  THR  15          HG22      THR  15  25.355  -8.217   1.878
  116   HG23  THR  15          HG23      THR  15  24.813  -7.745   3.489
  117    H    VAL  16           HN       VAL  16  28.865  -6.712   3.484
  118    HA   VAL  16           HA       VAL  16  31.106  -7.356   5.356
  119    HB   VAL  16           HB       VAL  16  31.541  -5.957   2.773
  120   HG11  VAL  16          HG11      VAL  16  33.038  -7.539   4.666
  121   HG12  VAL  16          HG12      VAL  16  33.638  -6.617   3.289
  122   HG13  VAL  16          HG13      VAL  16  33.132  -8.292   3.075
  123   HG21  VAL  16          HG21      VAL  16  30.563  -8.810   2.999
  124   HG22  VAL  16          HG22      VAL  16  31.474  -8.232   1.604
  125   HG23  VAL  16          HG23      VAL  16  29.909  -7.518   1.993
  126    H    ASN  17           HN       ASN  17  30.497  -5.748   6.929
  127    HA   ASN  17           HA       ASN  17  31.561  -3.142   6.233
  128    HB2  ASN  17           HB2      ASN  17  28.869  -3.548   5.715
  129    HB3  ASN  17           HB1      ASN  17  28.879  -2.690   7.257
  130   HD21  ASN  17          HD21      ASN  17  31.523  -1.413   6.564
  131   HD22  ASN  17          HD22      ASN  17  31.094  -0.140   5.502
  132    HA   PRO  18           HA       PRO  18  30.060  -3.080  10.854
  133    HB2  PRO  18           HB2      PRO  18  29.909  -6.019  11.319
  134    HB3  PRO  18           HB1      PRO  18  28.847  -4.732  11.920
  135    HG2  PRO  18           HG2      PRO  18  28.082  -6.406   9.981
  136    HG3  PRO  18           HG1      PRO  18  27.567  -4.706  10.009
  137    HD2  PRO  18           HD2      PRO  18  29.607  -6.052   8.288
  138    HD3  PRO  18           HD1      PRO  18  28.530  -4.693   7.899
  139    H    ILE  19           HN       ILE  19  32.174  -5.054   9.124
  140    HA   ILE  19           HA       ILE  19  34.007  -5.740  11.215
  141    HB   ILE  19           HB       ILE  19  34.743  -5.390   8.305
  142   HG12  ILE  19          HG12      ILE  19  33.944  -8.091   9.063
  143   HG13  ILE  19          HG11      ILE  19  32.602  -6.961   9.225
  144   HG21  ILE  19          HG21      ILE  19  36.315  -7.186   8.783
  145   HG22  ILE  19          HG22      ILE  19  35.645  -7.393  10.400
  146   HG23  ILE  19          HG23      ILE  19  36.523  -5.919   9.992
  147   HD11  ILE  19          HD11      ILE  19  32.990  -6.168   6.918
  148   HD12  ILE  19          HD12      ILE  19  32.686  -7.905   6.953
  149   HD13  ILE  19          HD13      ILE  19  34.331  -7.302   6.759
  150    H    ILE  20           HN       ILE  20  34.301  -3.334   8.573
  151    HA   ILE  20           HA       ILE  20  35.487  -1.417  10.484
  152    HB   ILE  20           HB       ILE  20  37.402  -1.210   8.590
  153   HG12  ILE  20          HG12      ILE  20  37.158  -4.194   8.835
  154   HG13  ILE  20          HG11      ILE  20  36.253  -3.359   7.573
  155   HG21  ILE  20          HG21      ILE  20  37.663  -1.492  11.079
  156   HG22  ILE  20          HG22      ILE  20  38.880  -2.346  10.132
  157   HG23  ILE  20          HG23      ILE  20  37.533  -3.234  10.843
  158   HD11  ILE  20          HD11      ILE  20  38.560  -4.153   6.889
  159   HD12  ILE  20          HD12      ILE  20  39.216  -2.960   8.010
  160   HD13  ILE  20          HD13      ILE  20  38.251  -2.436   6.630
  161    H    TYR  21           HN       TYR  21  35.181  -1.970   6.953
  162    HA   TYR  21           HA       TYR  21  35.069   0.768   6.261
  163    HB2  TYR  21           HB2      TYR  21  33.462  -0.612   4.364
  164    HB3  TYR  21           HB1      TYR  21  35.153  -0.148   4.212
  165    HD1  TYR  21           HD2      TYR  21  36.957  -1.713   4.915
  166    HD2  TYR  21           HD1      TYR  21  32.830  -2.893   4.879
  167    HE1  TYR  21           HE2      TYR  21  37.636  -4.094   5.027
  168    HE2  TYR  21           HE1      TYR  21  33.506  -5.273   4.994
  169    HH   TYR  21           HH       TYR  21  36.772  -6.224   5.637
  170    H    ALA  22           HN       ALA  22  32.999  -0.486   8.346
  171    HA   ALA  22           HA       ALA  22  30.455  -0.440   8.184
  172    HB1  ALA  22           HB1      ALA  22  31.714   1.992   9.479
  173    HB2  ALA  22           HB2      ALA  22  31.541   0.406  10.228
  174    HB3  ALA  22           HB3      ALA  22  30.108   1.351   9.824
  175    H    LEU  23           HN       LEU  23  31.672   2.883   7.705
  176    HA   LEU  23           HA       LEU  23  30.079   3.128   5.233
  177    HB2  LEU  23           HB2      LEU  23  29.605   4.856   7.690
  178    HB3  LEU  23           HB1      LEU  23  28.995   5.238   6.078
  179    HG   LEU  23           HG       LEU  23  28.172   2.632   6.383
  180   HD11  LEU  23          HD11      LEU  23  27.759   2.070   8.540
  181   HD12  LEU  23          HD12      LEU  23  27.234   3.698   8.961
  182   HD13  LEU  23          HD13      LEU  23  28.952   3.305   8.938
  183   HD21  LEU  23          HD21      LEU  23  25.930   3.727   6.995
  184   HD22  LEU  23          HD22      LEU  23  26.708   4.302   5.519
  185   HD23  LEU  23          HD23      LEU  23  26.804   5.258   6.997
  186    H    ARG  24           HN       ARG  24  31.580   5.294   7.604
  187    HA   ARG  24           HA       ARG  24  32.774   7.246   6.201
  188    HB2  ARG  24           HB2      ARG  24  33.211   6.869   8.587
  189    HB3  ARG  24           HB1      ARG  24  34.206   5.470   8.205
  190    HG2  ARG  24           HG2      ARG  24  35.710   7.291   8.591
  191    HG3  ARG  24           HG1      ARG  24  35.688   7.018   6.849
  192    HD2  ARG  24           HD2      ARG  24  33.702   8.952   7.968
  193    HD3  ARG  24           HD1      ARG  24  35.386   9.471   7.892
  194    HE   ARG  24           HE       ARG  24  33.606   9.207   5.631
  195   HH11  ARG  24          HH21      ARG  24  36.845   8.708   6.733
  196   HH12  ARG  24          HH22      ARG  24  37.556   8.887   5.167
  197   HH21  ARG  24          HH11      ARG  24  34.519   9.477   3.571
  198   HH22  ARG  24          HH12      ARG  24  36.235   9.342   3.367
  199    H    SER  25           HN       SER  25  34.321   4.031   6.466
  200    HA   SER  25           HA       SER  25  35.939   4.763   4.075
  201    HB2  SER  25           HB2      SER  25  37.024   4.246   6.330
  202    HB3  SER  25           HB1      SER  25  36.578   2.563   6.042
  203    HG   SER  25           HG       SER  25  38.658   3.920   5.102
  204    H    LYS  26           HN       LYS  26  33.150   3.388   4.300
  205    HA   LYS  26           HA       LYS  26  33.531   0.772   3.081
  206    HB2  LYS  26           HB2      LYS  26  31.298   2.378   3.773
  207    HB3  LYS  26           HB1      LYS  26  31.214   2.149   2.026
  208    HG2  LYS  26           HG2      LYS  26  31.593  -0.091   4.026
  209    HG3  LYS  26           HG1      LYS  26  30.042   0.345   3.321
  210    HD2  LYS  26           HD2      LYS  26  30.560  -0.607   1.299
  211    HD3  LYS  26           HD1      LYS  26  32.258  -0.135   1.395
  212    HE2  LYS  26           HE2      LYS  26  32.506  -2.399   1.738
  213    HE3  LYS  26           HE1      LYS  26  32.236  -1.902   3.399
  214    HZ1  LYS  26           HZ1      LYS  26  30.697  -3.551   3.209
  215    HZ2  LYS  26           HZ2      LYS  26  30.417  -3.260   1.556
  216    HZ3  LYS  26           HZ3      LYS  26  29.748  -2.225   2.729
  217    H    ASP  27           HN       ASP  27  33.601   4.088   2.086
  218    HA   ASP  27           HA       ASP  27  33.531   3.677  -0.743
  219    HB2  ASP  27           HB2      ASP  27  33.276   5.893   0.418
  220    HB3  ASP  27           HB1      ASP  27  35.015   5.853   0.752
  221    H    LEU  28           HN       LEU  28  36.272   4.106   1.501
  222    HA   LEU  28           HA       LEU  28  38.344   3.681  -0.380
  223    HB2  LEU  28           HB2      LEU  28  38.087   3.355   2.590
  224    HB3  LEU  28           HB1      LEU  28  39.519   2.705   1.792
  225    HG   LEU  28           HG       LEU  28  39.863   5.036   2.600
  226   HD11  LEU  28          HD11      LEU  28  41.143   5.596   0.781
  227   HD12  LEU  28          HD12      LEU  28  39.821   5.351  -0.358
  228   HD13  LEU  28          HD13      LEU  28  40.711   3.965   0.270
  229   HD21  LEU  28          HD21      LEU  28  37.809   5.793   0.502
  230   HD22  LEU  28          HD22      LEU  28  38.655   6.878   1.603
  231   HD23  LEU  28          HD23      LEU  28  37.467   5.737   2.231
  232    H    ARG  29           HN       ARG  29  36.338   1.405   1.436
  233    HA   ARG  29           HA       ARG  29  37.738  -0.984   1.048
  234    HB2  ARG  29           HB2      ARG  29  35.669  -0.933   2.315
  235    HB3  ARG  29           HB1      ARG  29  34.750  -0.510   0.870
  236    HG2  ARG  29           HG2      ARG  29  34.386  -2.805   0.930
  237    HG3  ARG  29           HG1      ARG  29  35.833  -2.745  -0.073
  238    HD2  ARG  29           HD2      ARG  29  36.822  -2.741   2.530
  239    HD3  ARG  29           HD1      ARG  29  35.475  -3.882   2.587
  240    HE   ARG  29           HE       ARG  29  36.663  -4.867   0.447
  241   HH11  ARG  29          HH21      ARG  29  38.189  -3.414   3.207
  242   HH12  ARG  29          HH22      ARG  29  39.632  -4.351   3.051
  243   HH21  ARG  29          HH11      ARG  29  38.548  -6.087   0.263
  244   HH22  ARG  29          HH12      ARG  29  39.837  -5.860   1.399
  245    H    HIS  30           HN       HIS  30  35.121   0.105  -1.154
  246    HA   HIS  30           HA       HIS  30  36.001  -1.747  -3.204
  247    HB2  HIS  30           HB2      HIS  30  34.278  -0.760  -4.597
  248    HB3  HIS  30           HB1      HIS  30  33.628  -0.976  -2.968
  249    HD1  HIS  30           HD1      HIS  30  34.400   1.579  -5.512
  250    HD2  HIS  30           HD2      HIS  30  33.526   1.537  -1.420
  251    HE1  HIS  30           HE1      HIS  30  33.865   3.971  -4.868
  252    HE2  HIS  30           HE2      HIS  30  33.345   3.975  -2.389
  253    H    ALA  31           HN       ALA  31  36.175   1.812  -2.861
  254    HA   ALA  31           HA       ALA  31  37.598   2.372  -5.240
  255    HB1  ALA  31           HB1      ALA  31  38.436   4.355  -4.123
  256    HB2  ALA  31           HB2      ALA  31  38.130   3.645  -2.537
  257    HB3  ALA  31           HB3      ALA  31  36.777   4.089  -3.580
  258    H    PHE  32           HN       PHE  32  38.627   0.894  -2.254
  259    HA   PHE  32           HA       PHE  32  41.458   0.902  -2.903
  260    HB2  PHE  32           HB2      PHE  32  40.750   0.621  -0.609
  261    HB3  PHE  32           HB1      PHE  32  39.769  -0.766  -1.063
  262    HD1  PHE  32           HD2      PHE  32  43.284   0.287  -1.824
  263    HD2  PHE  32           HD1      PHE  32  40.694  -2.753  -0.248
  264    HE1  PHE  32           HE2      PHE  32  45.242  -1.196  -1.470
  265    HE2  PHE  32           HE1      PHE  32  42.650  -4.233   0.113
  266    HZ   PHE  32           HZ       PHE  32  44.924  -3.452  -0.498
  267    H    ARG  33           HN       ARG  33  39.087  -1.765  -2.778
  268    HA   ARG  33           HA       ARG  33  40.670  -3.345  -4.665
  269    HB2  ARG  33           HB2      ARG  33  37.949  -3.727  -3.398
  270    HB3  ARG  33           HB1      ARG  33  38.653  -4.884  -4.530
  271    HG2  ARG  33           HG2      ARG  33  40.383  -3.998  -2.273
  272    HG3  ARG  33           HG1      ARG  33  39.033  -5.059  -1.862
  273    HD2  ARG  33           HD2      ARG  33  40.879  -6.509  -2.361
  274    HD3  ARG  33           HD1      ARG  33  39.819  -6.572  -3.766
  275    HE   ARG  33           HE       ARG  33  41.435  -5.318  -5.022
  276   HH11  ARG  33          HH21      ARG  33  42.233  -5.675  -1.672
  277   HH12  ARG  33          HH22      ARG  33  43.873  -5.158  -1.870
  278   HH21  ARG  33          HH11      ARG  33  43.576  -4.617  -5.289
  279   HH22  ARG  33          HH12      ARG  33  44.632  -4.560  -3.914
  280    H    SER  34           HN       SER  34  40.187  -0.990  -5.918
  281    HA   SER  34           HA       SER  34  38.952  -1.748  -8.351
  282    HB2  SER  34           HB2      SER  34  37.011  -1.217  -6.447
  283    HB3  SER  34           HB1      SER  34  37.137   0.308  -7.324
  284    HG   SER  34           HG       SER  34  36.481  -0.659  -9.128
  285    H    MET  35           HN       MET  35  40.130   0.734  -6.217
  286    HA   MET  35           HA       MET  35  40.681   2.479  -8.583
  287    HB2  MET  35           HB2      MET  35  39.590   3.306  -5.866
  288    HB3  MET  35           HB1      MET  35  40.157   4.437  -7.106
  289    HG2  MET  35           HG2      MET  35  37.911   2.419  -7.462
  290    HG3  MET  35           HG1      MET  35  37.700   4.159  -7.219
  291    HE1  MET  35           HE1      MET  35  36.757   5.239  -9.286
  292    HE2  MET  35           HE2      MET  35  37.968   5.737 -10.464
  293    HE3  MET  35           HE3      MET  35  38.281   5.957  -8.744
  294    H    PHE  36           HN       PHE  36  41.428   2.008  -5.115
  295    HA   PHE  36           HA       PHE  36  43.704   3.639  -5.048
  296    HB2  PHE  36           HB2      PHE  36  42.481   2.360  -3.131
  297    HB3  PHE  36           HB1      PHE  36  43.675   1.094  -3.463
  298    HD1  PHE  36           HD2      PHE  36  43.368   4.771  -2.794
  299    HD2  PHE  36           HD1      PHE  36  45.841   1.259  -2.536
  300    HE1  PHE  36           HE2      PHE  36  45.049   6.047  -1.498
  301    HE2  PHE  36           HE1      PHE  36  47.520   2.542  -1.236
  302    HZ   PHE  36           HZ       PHE  36  47.126   4.934  -0.720
  303    HA   PRO  37           HA       PRO  37  46.429   1.071  -7.567
  304    HB2  PRO  37           HB2      PRO  37  48.293   2.921  -8.027
  305    HB3  PRO  37           HB1      PRO  37  46.665   3.113  -8.724
  306    HG2  PRO  37           HG2      PRO  37  47.812   4.362  -6.255
  307    HG3  PRO  37           HG1      PRO  37  46.919   5.113  -7.572
  308    HD2  PRO  37           HD2      PRO  37  45.727   4.366  -5.221
  309    HD3  PRO  37           HD1      PRO  37  44.854   4.423  -6.774
  310    H    SER  38           HN       SER  38  47.321   2.995  -4.762
  311    HA   SER  38           HA       SER  38  48.841   2.596  -3.033
  312    HB2  SER  38           HB2      SER  38  47.976   0.032  -4.039
  313    HB3  SER  38           HB1      SER  38  49.640  -0.074  -3.451
  314    HG   SER  38           HG       SER  38  48.253  -0.401  -1.720
  315    H    ALA  39           HN       ALA  39  49.971   3.982  -4.910
  316    HA   ALA  39           HA       ALA  39  52.255   2.692  -6.188
  317    HB1  ALA  39           HB1      ALA  39  52.860   4.942  -6.902
  318    HB2  ALA  39           HB2      ALA  39  51.746   5.653  -5.734
  319    HB3  ALA  39           HB3      ALA  39  51.120   4.743  -7.110
  320    H    GLU  40           HN       GLU  40  54.442   4.140  -5.698
  321    HA   GLU  40           HA       GLU  40  55.236   3.341  -3.038
  322    HB2  GLU  40           HB2      GLU  40  56.621   5.231  -4.965
  323    HB3  GLU  40           HB1      GLU  40  57.360   4.458  -3.566
  324    HG2  GLU  40           HG2      GLU  40  57.437   2.383  -4.570
  325    HG3  GLU  40           HG1      GLU  40  56.012   2.690  -5.559
  Start of MODEL    7
    1    H1   THR   1           HT1      THR   1  18.257  11.097  -6.118
    2    H2   THR   1           HT2      THR   1  19.447  10.541  -7.193
    3    H3   THR   1           HT3      THR   1  19.715  10.481  -5.519
    4    HA   THR   1           HA       THR   1  17.335   9.105  -6.259
    5    HB   THR   1           HB       THR   1  19.730   7.602  -7.150
    6    HG1  THR   1           HG1      THR   1  20.229   8.874  -8.737
    7   HG21  THR   1          HG21      THR   1  18.129   6.856  -8.886
    8   HG22  THR   1          HG22      THR   1  16.944   8.015  -8.283
    9   HG23  THR   1          HG23      THR   1  17.456   6.670  -7.264
   10    H    VAL   2           HN       VAL   2  18.205   9.859  -3.818
   11    HA   VAL   2           HA       VAL   2  20.080   8.440  -2.373
   12    HB   VAL   2           HB       VAL   2  17.290   8.775  -1.272
   13   HG11  VAL   2          HG11      VAL   2  20.062   9.200  -0.106
   14   HG12  VAL   2          HG12      VAL   2  19.040   7.789   0.168
   15   HG13  VAL   2          HG13      VAL   2  18.540   9.368   0.769
   16   HG21  VAL   2          HG21      VAL   2  18.190  11.173  -0.721
   17   HG22  VAL   2          HG22      VAL   2  17.513  10.869  -2.319
   18   HG23  VAL   2          HG23      VAL   2  19.263  10.904  -2.095
   19    H    PHE   3           HN       PHE   3  17.012   7.232  -3.616
   20    HA   PHE   3           HA       PHE   3  16.793   4.816  -2.168
   21    HB2  PHE   3           HB2      PHE   3  16.270   4.654  -5.090
   22    HB3  PHE   3           HB1      PHE   3  15.235   4.196  -3.736
   23    HD1  PHE   3           HD2      PHE   3  14.854   6.499  -2.130
   24    HD2  PHE   3           HD1      PHE   3  15.289   6.302  -6.402
   25    HE1  PHE   3           HE2      PHE   3  13.608   8.631  -2.356
   26    HE2  PHE   3           HE1      PHE   3  14.042   8.435  -6.626
   27    HZ   PHE   3           HZ       PHE   3  13.202   9.596  -4.603
   28    H    ALA   4           HN       ALA   4  18.870   5.670  -4.902
   29    HA   ALA   4           HA       ALA   4  19.959   3.023  -5.310
   30    HB1  ALA   4           HB1      ALA   4  20.242   4.823  -6.994
   31    HB2  ALA   4           HB2      ALA   4  21.806   4.199  -6.469
   32    HB3  ALA   4           HB3      ALA   4  21.217   5.739  -5.846
   33    H    PHE   5           HN       PHE   5  20.866   5.808  -3.316
   34    HA   PHE   5           HA       PHE   5  23.226   4.683  -2.140
   35    HB2  PHE   5           HB2      PHE   5  22.136   7.100  -1.914
   36    HB3  PHE   5           HB1      PHE   5  21.346   6.365  -0.517
   37    HD1  PHE   5           HD1      PHE   5  24.721   6.834  -2.081
   38    HD2  PHE   5           HD2      PHE   5  22.481   6.170   1.525
   39    HE1  PHE   5           HE1      PHE   5  26.787   7.121  -0.741
   40    HE2  PHE   5           HE2      PHE   5  24.548   6.457   2.864
   41    HZ   PHE   5           HZ       PHE   5  26.705   6.931   1.733
   42    H    ALA   6           HN       ALA   6  19.882   4.828  -0.871
   43    HA   ALA   6           HA       ALA   6  20.224   3.097   1.328
   44    HB1  ALA   6           HB1      ALA   6  17.789   3.264  -0.478
   45    HB2  ALA   6           HB2      ALA   6  18.137   4.371   0.851
   46    HB3  ALA   6           HB3      ALA   6  17.814   2.669   1.182
   47    H    SER   7           HN       SER   7  19.602   2.316  -2.072
   48    HA   SER   7           HA       SER   7  19.255  -0.502  -1.715
   49    HB2  SER   7           HB2      SER   7  20.364   0.986  -4.112
   50    HB3  SER   7           HB1      SER   7  19.703  -0.653  -4.124
   51    HG   SER   7           HG       SER   7  18.357   1.790  -3.533
   52    H    MET   8           HN       MET   8  22.132   1.235  -2.962
   53    HA   MET   8           HA       MET   8  23.909  -0.971  -2.803
   54    HB2  MET   8           HB2      MET   8  24.146   1.962  -3.040
   55    HB3  MET   8           HB1      MET   8  25.526   1.190  -2.261
   56    HG2  MET   8           HG2      MET   8  26.000  -0.164  -4.131
   57    HG3  MET   8           HG1      MET   8  24.382   0.067  -4.819
   58    HE1  MET   8           HE1      MET   8  27.458   1.842  -3.514
   59    HE2  MET   8           HE2      MET   8  26.327   3.163  -3.234
   60    HE3  MET   8           HE3      MET   8  27.592   3.337  -4.449
   61    H    LEU   9           HN       LEU   9  22.989   1.443  -0.408
   62    HA   LEU   9           HA       LEU   9  24.888   0.699   1.587
   63    HB2  LEU   9           HB2      LEU   9  22.474   2.356   1.410
   64    HB3  LEU   9           HB1      LEU   9  22.648   1.579   2.985
   65    HG   LEU   9           HG       LEU   9  23.789   3.858   2.703
   66   HD11  LEU   9          HD11      LEU   9  24.345   1.832   4.341
   67   HD12  LEU   9          HD12      LEU   9  25.356   3.275   4.286
   68   HD13  LEU   9          HD13      LEU   9  25.850   1.820   3.422
   69   HD21  LEU   9          HD21      LEU   9  26.053   2.381   1.422
   70   HD22  LEU   9          HD22      LEU   9  25.656   4.097   1.362
   71   HD23  LEU   9          HD23      LEU   9  24.743   2.950   0.385
   72    H    CYS  10           HN       CYS  10  21.394  -0.091   1.483
   73    HA   CYS  10           HA       CYS  10  21.366  -2.017   3.508
   74    HB2  CYS  10           HB2      CYS  10  19.848  -1.901   0.891
   75    HB3  CYS  10           HB1      CYS  10  19.526  -3.131   2.121
   76    HG   CYS  10           HG       CYS  10  18.719  -0.183   2.292
   77    H    LEU  11           HN       LEU  11  22.393  -2.385   0.137
   78    HA   LEU  11           HA       LEU  11  22.852  -5.253   0.410
   79    HB2  LEU  11           HB2      LEU  11  22.325  -3.872  -1.743
   80    HB3  LEU  11           HB1      LEU  11  24.051  -3.518  -1.745
   81    HG   LEU  11           HG       LEU  11  24.150  -6.193  -1.350
   82   HD11  LEU  11          HD11      LEU  11  21.619  -5.634  -2.921
   83   HD12  LEU  11          HD12      LEU  11  21.775  -6.585  -1.444
   84   HD13  LEU  11          HD13      LEU  11  22.461  -7.183  -2.954
   85   HD21  LEU  11          HD21      LEU  11  25.411  -5.180  -3.091
   86   HD22  LEU  11          HD22      LEU  11  23.964  -4.600  -3.915
   87   HD23  LEU  11          HD23      LEU  11  24.350  -6.322  -3.913
   88    H    LEU  12           HN       LEU  12  25.174  -2.722  -0.508
   89    HA   LEU  12           HA       LEU  12  27.445  -4.278   0.085
   90    HB2  LEU  12           HB2      LEU  12  26.895  -1.589  -0.808
   91    HB3  LEU  12           HB1      LEU  12  28.215  -1.574   0.356
   92    HG   LEU  12           HG       LEU  12  28.135  -3.537  -1.943
   93   HD11  LEU  12          HD11      LEU  12  29.645  -2.009  -3.148
   94   HD12  LEU  12          HD12      LEU  12  29.461  -0.810  -1.869
   95   HD13  LEU  12          HD13      LEU  12  28.077  -1.251  -2.869
   96   HD21  LEU  12          HD21      LEU  12  30.439  -3.868  -1.440
   97   HD22  LEU  12          HD22      LEU  12  29.635  -3.837   0.127
   98   HD23  LEU  12          HD23      LEU  12  30.511  -2.416  -0.442
   99    H    ASN  13           HN       ASN  13  25.488  -2.298   2.187
  100    HA   ASN  13           HA       ASN  13  27.577  -2.048   4.208
  101    HB2  ASN  13           HB2      ASN  13  25.738  -0.361   3.967
  102    HB3  ASN  13           HB1      ASN  13  24.600  -1.586   4.530
  103   HD21  ASN  13          HD21      ASN  13  27.608   0.107   5.545
  104   HD22  ASN  13          HD22      ASN  13  27.275  -0.002   7.222
  105    H    SER  14           HN       SER  14  24.390  -3.652   4.277
  106    HA   SER  14           HA       SER  14  24.653  -5.021   6.664
  107    HB2  SER  14           HB2      SER  14  23.156  -6.793   5.616
  108    HB3  SER  14           HB1      SER  14  22.571  -5.133   5.470
  109    HG   SER  14           HG       SER  14  22.846  -5.222   3.372
  110    H    THR  15           HN       THR  15  25.261  -6.673   3.555
  111    HA   THR  15           HA       THR  15  26.462  -8.909   4.792
  112    HB   THR  15           HB       THR  15  25.581  -9.123   2.563
  113    HG1  THR  15           HG1      THR  15  27.279 -10.495   2.915
  114   HG21  THR  15          HG21      THR  15  25.822  -7.477   1.064
  115   HG22  THR  15          HG22      THR  15  27.548  -7.802   0.972
  116   HG23  THR  15          HG23      THR  15  26.934  -6.639   2.146
  117    H    VAL  16           HN       VAL  16  27.905  -5.854   3.918
  118    HA   VAL  16           HA       VAL  16  30.401  -6.837   5.160
  119    HB   VAL  16           HB       VAL  16  31.421  -5.528   2.990
  120   HG11  VAL  16          HG11      VAL  16  31.096  -8.354   2.415
  121   HG12  VAL  16          HG12      VAL  16  31.511  -8.090   4.107
  122   HG13  VAL  16          HG13      VAL  16  32.561  -7.469   2.834
  123   HG21  VAL  16          HG21      VAL  16  30.315  -6.175   1.004
  124   HG22  VAL  16          HG22      VAL  16  29.016  -5.624   2.057
  125   HG23  VAL  16          HG23      VAL  16  29.313  -7.349   1.853
  126    H    ASN  17           HN       ASN  17  30.111  -5.274   6.807
  127    HA   ASN  17           HA       ASN  17  31.494  -2.907   6.319
  128    HB2  ASN  17           HB2      ASN  17  28.806  -2.629   5.490
  129    HB3  ASN  17           HB1      ASN  17  28.961  -1.713   6.988
  130   HD21  ASN  17          HD21      ASN  17  31.829  -1.161   6.606
  131   HD22  ASN  17          HD22      ASN  17  31.906   0.040   5.388
  132    HA   PRO  18           HA       PRO  18  29.291  -2.496  10.662
  133    HB2  PRO  18           HB2      PRO  18  28.357  -5.313  10.899
  134    HB3  PRO  18           HB1      PRO  18  27.574  -3.817  11.437
  135    HG2  PRO  18           HG2      PRO  18  26.742  -5.192   9.283
  136    HG3  PRO  18           HG1      PRO  18  26.606  -3.425   9.405
  137    HD2  PRO  18           HD2      PRO  18  28.467  -5.070   7.765
  138    HD3  PRO  18           HD1      PRO  18  27.866  -3.424   7.476
  139    H    ILE  19           HN       ILE  19  31.094  -4.976   9.196
  140    HA   ILE  19           HA       ILE  19  32.270  -6.012  11.632
  141    HB   ILE  19           HB       ILE  19  33.429  -6.467   8.898
  142   HG12  ILE  19          HG12      ILE  19  31.570  -8.504   9.302
  143   HG13  ILE  19          HG11      ILE  19  30.689  -7.049   9.763
  144   HG21  ILE  19          HG21      ILE  19  32.965  -8.319  11.250
  145   HG22  ILE  19          HG22      ILE  19  34.466  -7.432  10.974
  146   HG23  ILE  19          HG23      ILE  19  33.933  -8.651   9.815
  147   HD11  ILE  19          HD11      ILE  19  31.871  -7.794   7.111
  148   HD12  ILE  19          HD12      ILE  19  31.747  -6.085   7.534
  149   HD13  ILE  19          HD13      ILE  19  30.297  -7.089   7.474
  150    H    ILE  20           HN       ILE  20  33.425  -3.976   8.926
  151    HA   ILE  20           HA       ILE  20  35.408  -2.721  10.713
  152    HB   ILE  20           HB       ILE  20  37.120  -3.446   8.717
  153   HG12  ILE  20          HG12      ILE  20  35.535  -5.960   9.251
  154   HG13  ILE  20          HG11      ILE  20  35.167  -4.934   7.863
  155   HG21  ILE  20          HG21      ILE  20  37.212  -3.679  11.309
  156   HG22  ILE  20          HG22      ILE  20  38.168  -4.793  10.331
  157   HG23  ILE  20          HG23      ILE  20  36.636  -5.320  11.022
  158   HD11  ILE  20          HD11      ILE  20  37.601  -5.075   7.233
  159   HD12  ILE  20          HD12      ILE  20  36.721  -6.597   7.118
  160   HD13  ILE  20          HD13      ILE  20  37.787  -6.298   8.490
  161    H    TYR  21           HN       TYR  21  34.524  -3.174   7.264
  162    HA   TYR  21           HA       TYR  21  35.716  -0.797   6.338
  163    HB2  TYR  21           HB2      TYR  21  33.181  -1.598   5.006
  164    HB3  TYR  21           HB1      TYR  21  34.751  -1.237   4.314
  165    HD1  TYR  21           HD1      TYR  21  36.643  -2.989   5.455
  166    HD2  TYR  21           HD2      TYR  21  32.522  -3.791   4.562
  167    HE1  TYR  21           HE1      TYR  21  37.154  -5.404   5.252
  168    HE2  TYR  21           HE2      TYR  21  33.032  -6.205   4.371
  169    HH   TYR  21           HH       TYR  21  34.693  -7.802   5.087
  170    H    ALA  22           HN       ALA  22  33.250  -1.079   8.527
  171    HA   ALA  22           HA       ALA  22  31.659   0.400   9.402
  172    HB1  ALA  22           HB1      ALA  22  32.550   2.785   9.453
  173    HB2  ALA  22           HB2      ALA  22  33.910   2.203   8.496
  174    HB3  ALA  22           HB3      ALA  22  33.628   1.555  10.110
  175    H    LEU  23           HN       LEU  23  32.768   2.683   6.978
  176    HA   LEU  23           HA       LEU  23  30.878   2.362   4.944
  177    HB2  LEU  23           HB2      LEU  23  29.642   3.280   7.403
  178    HB3  LEU  23           HB1      LEU  23  29.509   4.523   6.156
  179    HG   LEU  23           HG       LEU  23  28.776   1.615   5.707
  180   HD11  LEU  23          HD11      LEU  23  27.341   2.761   7.425
  181   HD12  LEU  23          HD12      LEU  23  26.465   2.269   5.978
  182   HD13  LEU  23          HD13      LEU  23  26.920   3.958   6.200
  183   HD21  LEU  23          HD21      LEU  23  27.402   3.236   3.924
  184   HD22  LEU  23          HD22      LEU  23  28.867   2.332   3.555
  185   HD23  LEU  23          HD23      LEU  23  28.974   4.024   4.035
  186    H    ARG  24           HN       ARG  24  32.638   4.536   7.043
  187    HA   ARG  24           HA       ARG  24  32.670   6.804   5.248
  188    HB2  ARG  24           HB2      ARG  24  33.242   6.808   7.749
  189    HB3  ARG  24           HB1      ARG  24  34.793   6.110   7.296
  190    HG2  ARG  24           HG2      ARG  24  35.485   8.024   6.168
  191    HG3  ARG  24           HG1      ARG  24  33.837   8.583   5.887
  192    HD2  ARG  24           HD2      ARG  24  35.227   9.825   7.689
  193    HD3  ARG  24           HD1      ARG  24  33.583   9.345   8.105
  194    HE   ARG  24           HE       ARG  24  34.463   7.734   9.620
  195   HH11  ARG  24          HH21      ARG  24  36.882   9.140   7.591
  196   HH12  ARG  24          HH22      ARG  24  38.210   8.482   8.485
  197   HH21  ARG  24          HH11      ARG  24  36.183   6.845  10.786
  198   HH22  ARG  24          HH12      ARG  24  37.812   7.171  10.300
  199    H    SER  25           HN       SER  25  35.182   4.394   6.074
  200    HA   SER  25           HA       SER  25  36.695   5.121   3.662
  201    HB2  SER  25           HB2      SER  25  37.944   2.923   4.752
  202    HB3  SER  25           HB1      SER  25  38.281   4.603   5.195
  203    HG   SER  25           HG       SER  25  37.749   3.751   7.098
  204    H    LYS  26           HN       LYS  26  33.980   3.461   4.007
  205    HA   LYS  26           HA       LYS  26  34.257   0.880   2.963
  206    HB2  LYS  26           HB2      LYS  26  32.143   2.739   3.234
  207    HB3  LYS  26           HB1      LYS  26  32.153   2.283   1.535
  208    HG2  LYS  26           HG2      LYS  26  32.187   0.307   3.827
  209    HG3  LYS  26           HG1      LYS  26  30.734   0.789   2.959
  210    HD2  LYS  26           HD2      LYS  26  31.455  -0.223   0.947
  211    HD3  LYS  26           HD1      LYS  26  33.136  -0.302   1.487
  212    HE2  LYS  26           HE2      LYS  26  32.212  -2.532   1.655
  213    HE3  LYS  26           HE1      LYS  26  32.400  -1.910   3.285
  214    HZ1  LYS  26           HZ1      LYS  26  29.889  -2.036   1.710
  215    HZ2  LYS  26           HZ2      LYS  26  30.032  -1.206   3.191
  216    HZ3  LYS  26           HZ3      LYS  26  30.256  -2.896   3.128
  217    H    ASP  27           HN       ASP  27  34.258   3.976   1.252
  218    HA   ASP  27           HA       ASP  27  34.491   2.989  -1.399
  219    HB2  ASP  27           HB2      ASP  27  34.093   5.366  -0.866
  220    HB3  ASP  27           HB1      ASP  27  35.728   5.479  -0.212
  221    H    LEU  28           HN       LEU  28  37.121   4.145   0.712
  222    HA   LEU  28           HA       LEU  28  39.276   3.250  -0.866
  223    HB2  LEU  28           HB2      LEU  28  38.950   3.676   2.108
  224    HB3  LEU  28           HB1      LEU  28  40.472   3.090   1.428
  225    HG   LEU  28           HG       LEU  28  40.259   5.116  -0.204
  226   HD11  LEU  28          HD11      LEU  28  38.057   5.892   0.223
  227   HD12  LEU  28          HD12      LEU  28  39.101   7.053   1.043
  228   HD13  LEU  28          HD13      LEU  28  38.274   5.803   1.972
  229   HD21  LEU  28          HD21      LEU  28  41.972   4.928   1.557
  230   HD22  LEU  28          HD22      LEU  28  40.824   5.531   2.751
  231   HD23  LEU  28          HD23      LEU  28  41.375   6.583   1.448
  232    H    ARG  29           HN       ARG  29  37.125   1.502   1.280
  233    HA   ARG  29           HA       ARG  29  38.731  -0.762   1.789
  234    HB2  ARG  29           HB2      ARG  29  36.423  -0.207   2.732
  235    HB3  ARG  29           HB1      ARG  29  35.762  -0.936   1.265
  236    HG2  ARG  29           HG2      ARG  29  37.836  -2.466   2.783
  237    HG3  ARG  29           HG1      ARG  29  36.211  -2.385   3.447
  238    HD2  ARG  29           HD2      ARG  29  35.312  -3.680   1.797
  239    HD3  ARG  29           HD1      ARG  29  36.357  -3.000   0.551
  240    HE   ARG  29           HE       ARG  29  37.988  -4.566   2.266
  241   HH11  ARG  29          HH21      ARG  29  35.364  -4.874   0.048
  242   HH12  ARG  29          HH22      ARG  29  35.758  -6.497  -0.410
  243   HH21  ARG  29          HH11      ARG  29  38.523  -6.694   1.675
  244   HH22  ARG  29          HH12      ARG  29  37.555  -7.522   0.501
  245    H    HIS  30           HN       HIS  30  36.142  -0.675  -0.706
  246    HA   HIS  30           HA       HIS  30  37.367  -2.949  -2.053
  247    HB2  HIS  30           HB2      HIS  30  35.703  -2.422  -3.882
  248    HB3  HIS  30           HB1      HIS  30  34.982  -2.733  -2.299
  249    HD1  HIS  30           HD1      HIS  30  35.398  -0.112  -4.885
  250    HD2  HIS  30           HD2      HIS  30  34.042  -0.316  -0.935
  251    HE1  HIS  30           HE1      HIS  30  34.153   2.050  -4.440
  252    HE2  HIS  30           HE2      HIS  30  33.309   1.928  -2.052
  253    H    ALA  31           HN       ALA  31  37.143   0.557  -2.662
  254    HA   ALA  31           HA       ALA  31  38.606   0.704  -5.062
  255    HB1  ALA  31           HB1      ALA  31  39.217   2.943  -4.425
  256    HB2  ALA  31           HB2      ALA  31  39.025   2.572  -2.714
  257    HB3  ALA  31           HB3      ALA  31  37.609   2.658  -3.760
  258    H    PHE  32           HN       PHE  32  39.684   0.183  -1.762
  259    HA   PHE  32           HA       PHE  32  42.510   0.083  -2.371
  260    HB2  PHE  32           HB2      PHE  32  41.819   0.281  -0.048
  261    HB3  PHE  32           HB1      PHE  32  40.811  -1.136  -0.208
  262    HD1  PHE  32           HD1      PHE  32  44.120  -1.144  -1.793
  263    HD2  PHE  32           HD2      PHE  32  41.898  -2.198   1.730
  264    HE1  PHE  32           HE1      PHE  32  45.973  -2.614  -1.067
  265    HE2  PHE  32           HE2      PHE  32  43.757  -3.674   2.458
  266    HZ   PHE  32           HZ       PHE  32  45.794  -3.883   1.056
  267    H    ARG  33           HN       ARG  33  40.271  -2.537  -1.538
  268    HA   ARG  33           HA       ARG  33  41.918  -4.552  -2.786
  269    HB2  ARG  33           HB2      ARG  33  38.991  -4.741  -2.054
  270    HB3  ARG  33           HB1      ARG  33  40.152  -6.070  -2.166
  271    HG2  ARG  33           HG2      ARG  33  40.267  -3.765  -0.190
  272    HG3  ARG  33           HG1      ARG  33  39.765  -5.412   0.191
  273    HD2  ARG  33           HD2      ARG  33  42.507  -4.600  -0.834
  274    HD3  ARG  33           HD1      ARG  33  42.117  -5.027   0.831
  275    HE   ARG  33           HE       ARG  33  41.281  -7.184  -0.819
  276   HH11  ARG  33          HH21      ARG  33  44.141  -5.496   0.139
  277   HH12  ARG  33          HH22      ARG  33  45.156  -6.896   0.069
  278   HH21  ARG  33          HH11      ARG  33  42.576  -9.017  -0.931
  279   HH22  ARG  33          HH12      ARG  33  44.262  -8.909  -0.538
  280    H    SER  34           HN       SER  34  41.612  -2.641  -4.675
  281    HA   SER  34           HA       SER  34  40.718  -4.107  -6.936
  282    HB2  SER  34           HB2      SER  34  38.770  -2.111  -5.808
  283    HB3  SER  34           HB1      SER  34  38.830  -2.425  -7.543
  284    HG   SER  34           HG       SER  34  38.677  -4.502  -5.616
  285    H    MET  35           HN       MET  35  41.643  -1.079  -5.451
  286    HA   MET  35           HA       MET  35  42.615  -0.101  -8.111
  287    HB2  MET  35           HB2      MET  35  41.563   1.566  -5.801
  288    HB3  MET  35           HB1      MET  35  42.089   2.169  -7.380
  289    HG2  MET  35           HG2      MET  35  40.242   0.205  -8.034
  290    HG3  MET  35           HG1      MET  35  39.534   0.962  -6.610
  291    HE1  MET  35           HE1      MET  35  41.807   3.178  -9.398
  292    HE2  MET  35           HE2      MET  35  40.655   2.659 -10.623
  293    HE3  MET  35           HE3      MET  35  41.491   1.456  -9.644
  294    H    PHE  36           HN       PHE  36  43.039   0.616  -4.630
  295    HA   PHE  36           HA       PHE  36  45.175   2.182  -4.608
  296    HB2  PHE  36           HB2      PHE  36  44.150   0.749  -2.626
  297    HB3  PHE  36           HB1      PHE  36  45.632  -0.189  -2.858
  298    HD1  PHE  36           HD1      PHE  36  44.261   3.164  -2.066
  299    HD2  PHE  36           HD2      PHE  36  47.800   0.737  -2.319
  300    HE1  PHE  36           HE1      PHE  36  45.547   4.917  -0.879
  301    HE2  PHE  36           HE2      PHE  36  49.083   2.494  -1.125
  302    HZ   PHE  36           HZ       PHE  36  47.958   4.582  -0.408
  303    HA   PRO  37           HA       PRO  37  48.288  -0.088  -6.949
  304    HB2  PRO  37           HB2      PRO  37  49.674   2.045  -7.751
  305    HB3  PRO  37           HB1      PRO  37  48.038   1.762  -8.387
  306    HG2  PRO  37           HG2      PRO  37  48.910   3.601  -6.194
  307    HG3  PRO  37           HG1      PRO  37  47.823   3.907  -7.544
  308    HD2  PRO  37           HD2      PRO  37  46.940   3.265  -5.023
  309    HD3  PRO  37           HD1      PRO  37  46.010   2.925  -6.510
  310    H    SER  38           HN       SER  38  48.823   2.418  -4.522
  311    HA   SER  38           HA       SER  38  50.508   2.674  -2.909
  312    HB2  SER  38           HB2      SER  38  50.096  -0.149  -3.324
  313    HB3  SER  38           HB1      SER  38  51.802   0.150  -2.965
  314    HG   SER  38           HG       SER  38  50.380  -0.145  -1.099
  315    H    ALA  39           HN       ALA  39  50.978   3.481  -5.540
  316    HA   ALA  39           HA       ALA  39  53.549   2.449  -6.467
  317    HB1  ALA  39           HB1      ALA  39  51.985   4.883  -7.390
  318    HB2  ALA  39           HB2      ALA  39  51.799   3.258  -8.050
  319    HB3  ALA  39           HB3      ALA  39  53.324   4.122  -8.250
  320    H    GLU  40           HN       GLU  40  52.712   4.496  -4.013
  321    HA   GLU  40           HA       GLU  40  54.868   6.457  -4.439
  322    HB2  GLU  40           HB2      GLU  40  53.415   6.308  -1.840
  323    HB3  GLU  40           HB1      GLU  40  53.853   7.718  -2.807
  324    HG2  GLU  40           HG2      GLU  40  52.113   6.676  -4.520
  325    HG3  GLU  40           HG1      GLU  40  51.475   5.906  -3.068
  Start of MODEL    8
    1    H1   THR   1           HT1      THR   1  23.521  11.305  -4.735
    2    H2   THR   1           HT2      THR   1  22.917  12.134  -6.085
    3    H3   THR   1           HT3      THR   1  24.319  11.186  -6.222
    4    HA   THR   1           HA       THR   1  21.634  10.422  -6.559
    5    HB   THR   1           HB       THR   1  23.654   8.316  -6.656
    6    HG1  THR   1           HG1      THR   1  24.202  10.556  -8.275
    7   HG21  THR   1          HG21      THR   1  21.662   8.224  -8.015
    8   HG22  THR   1          HG22      THR   1  23.041   8.428  -9.095
    9   HG23  THR   1          HG23      THR   1  22.006   9.805  -8.716
   10    H    VAL   2           HN       VAL   2  21.426  10.829  -3.947
   11    HA   VAL   2           HA       VAL   2  22.270   8.913  -2.089
   12    HB   VAL   2           HB       VAL   2  20.177   9.461  -0.831
   13   HG11  VAL   2          HG11      VAL   2  21.374  11.938  -2.100
   14   HG12  VAL   2          HG12      VAL   2  22.230  10.971  -0.898
   15   HG13  VAL   2          HG13      VAL   2  20.716  11.769  -0.473
   16   HG21  VAL   2          HG21      VAL   2  18.540   9.637  -2.561
   17   HG22  VAL   2          HG22      VAL   2  19.499  10.818  -3.454
   18   HG23  VAL   2          HG23      VAL   2  18.734  11.272  -1.933
   19    H    PHE   3           HN       PHE   3  19.656   8.697  -4.460
   20    HA   PHE   3           HA       PHE   3  18.400   6.323  -3.542
   21    HB2  PHE   3           HB2      PHE   3  18.564   6.219  -6.409
   22    HB3  PHE   3           HB1      PHE   3  17.178   6.654  -5.409
   23    HD1  PHE   3           HD2      PHE   3  17.272   9.102  -4.373
   24    HD2  PHE   3           HD1      PHE   3  19.446   7.830  -7.855
   25    HE1  PHE   3           HE2      PHE   3  17.487  11.461  -5.104
   26    HE2  PHE   3           HE1      PHE   3  19.660  10.190  -8.585
   27    HZ   PHE   3           HZ       PHE   3  18.684  12.007  -7.207
   28    H    ALA   4           HN       ALA   4  21.071   6.662  -5.894
   29    HA   ALA   4           HA       ALA   4  21.637   3.866  -6.087
   30    HB1  ALA   4           HB1      ALA   4  23.655   4.495  -7.158
   31    HB2  ALA   4           HB2      ALA   4  23.747   6.021  -6.282
   32    HB3  ALA   4           HB3      ALA   4  22.542   5.803  -7.550
   33    H    PHE   5           HN       PHE   5  22.935   6.429  -3.986
   34    HA   PHE   5           HA       PHE   5  24.852   4.899  -2.576
   35    HB2  PHE   5           HB2      PHE   5  24.155   7.458  -2.420
   36    HB3  PHE   5           HB1      PHE   5  23.173   6.879  -1.078
   37    HD1  PHE   5           HD1      PHE   5  24.409   5.262   0.614
   38    HD2  PHE   5           HD2      PHE   5  26.390   8.019  -2.017
   39    HE1  PHE   5           HE1      PHE   5  26.414   5.212   2.068
   40    HE2  PHE   5           HE2      PHE   5  28.396   7.970  -0.561
   41    HZ   PHE   5           HZ       PHE   5  28.409   6.565   1.483
   42    H    ALA   6           HN       ALA   6  21.612   5.703  -1.288
   43    HA   ALA   6           HA       ALA   6  21.537   3.922   0.835
   44    HB1  ALA   6           HB1      ALA   6  19.392   4.918  -1.025
   45    HB2  ALA   6           HB2      ALA   6  19.649   5.295   0.680
   46    HB3  ALA   6           HB3      ALA   6  18.990   3.727   0.213
   47    H    SER   7           HN       SER   7  20.663   3.208  -2.539
   48    HA   SER   7           HA       SER   7  19.945   0.481  -2.173
   49    HB2  SER   7           HB2      SER   7  21.361   1.630  -4.584
   50    HB3  SER   7           HB1      SER   7  20.235   0.266  -4.547
   51    HG   SER   7           HG       SER   7  19.736   3.043  -4.172
   52    H    MET   8           HN       MET   8  23.070   1.801  -3.302
   53    HA   MET   8           HA       MET   8  24.524  -0.649  -3.114
   54    HB2  MET   8           HB2      MET   8  25.135   2.220  -3.401
   55    HB3  MET   8           HB1      MET   8  26.382   1.311  -2.554
   56    HG2  MET   8           HG2      MET   8  26.787  -0.100  -4.385
   57    HG3  MET   8           HG1      MET   8  25.204   0.226  -5.104
   58    HE1  MET   8           HE1      MET   8  28.603   0.617  -6.285
   59    HE2  MET   8           HE2      MET   8  27.890   1.493  -7.633
   60    HE3  MET   8           HE3      MET   8  27.075   0.073  -6.986
   61    H    LEU   9           HN       LEU   9  23.499   1.682  -0.770
   62    HA   LEU   9           HA       LEU   9  25.307   0.995   1.344
   63    HB2  LEU   9           HB2      LEU   9  23.390   2.912   0.985
   64    HB3  LEU   9           HB1      LEU   9  22.552   1.812   2.083
   65    HG   LEU   9           HG       LEU   9  25.334   2.933   2.564
   66   HD11  LEU   9          HD11      LEU   9  24.097   4.225   4.388
   67   HD12  LEU   9          HD12      LEU   9  22.608   3.787   3.556
   68   HD13  LEU   9          HD13      LEU   9  23.819   4.770   2.735
   69   HD21  LEU   9          HD21      LEU   9  24.729   2.124   4.939
   70   HD22  LEU   9          HD22      LEU   9  25.113   0.878   3.753
   71   HD23  LEU   9          HD23      LEU   9  23.432   1.210   4.169
   72    H    CYS  10           HN       CYS  10  21.838   0.160   1.021
   73    HA   CYS  10           HA       CYS  10  21.792  -1.897   2.957
   74    HB2  CYS  10           HB2      CYS  10  20.196  -1.368   0.459
   75    HB3  CYS  10           HB1      CYS  10  19.948  -2.871   1.354
   76    HG   CYS  10           HG       CYS  10  19.821  -0.698   3.362
   77    H    LEU  11           HN       LEU  11  22.634  -2.049  -0.491
   78    HA   LEU  11           HA       LEU  11  22.998  -4.897  -0.567
   79    HB2  LEU  11           HB2      LEU  11  22.911  -2.951  -2.458
   80    HB3  LEU  11           HB1      LEU  11  24.650  -3.216  -2.380
   81    HG   LEU  11           HG       LEU  11  22.725  -5.532  -2.603
   82   HD11  LEU  11          HD11      LEU  11  23.881  -3.806  -4.805
   83   HD12  LEU  11          HD12      LEU  11  22.185  -4.197  -4.517
   84   HD13  LEU  11          HD13      LEU  11  23.293  -5.445  -5.085
   85   HD21  LEU  11          HD21      LEU  11  25.640  -5.115  -3.341
   86   HD22  LEU  11          HD22      LEU  11  24.735  -6.603  -3.606
   87   HD23  LEU  11          HD23      LEU  11  25.039  -6.039  -1.964
   88    H    LEU  12           HN       LEU  12  25.565  -2.398  -0.758
   89    HA   LEU  12           HA       LEU  12  27.720  -4.124  -0.193
   90    HB2  LEU  12           HB2      LEU  12  27.329  -1.174   0.354
   91    HB3  LEU  12           HB1      LEU  12  28.841  -1.997   0.724
   92    HG   LEU  12           HG       LEU  12  27.621  -2.284  -2.010
   93   HD11  LEU  12          HD11      LEU  12  28.777  -0.314  -2.784
   94   HD12  LEU  12          HD12      LEU  12  29.494  -0.046  -1.195
   95   HD13  LEU  12          HD13      LEU  12  27.758   0.166  -1.428
   96   HD21  LEU  12          HD21      LEU  12  29.607  -3.639  -1.178
   97   HD22  LEU  12          HD22      LEU  12  30.514  -2.127  -1.121
   98   HD23  LEU  12          HD23      LEU  12  29.889  -2.727  -2.658
   99    H    ASN  13           HN       ASN  13  25.362  -2.717   1.963
  100    HA   ASN  13           HA       ASN  13  26.926  -3.247   4.369
  101    HB2  ASN  13           HB2      ASN  13  25.236  -1.424   4.256
  102    HB3  ASN  13           HB1      ASN  13  23.972  -2.642   4.094
  103   HD21  ASN  13          HD21      ASN  13  26.585  -1.581   6.322
  104   HD22  ASN  13          HD22      ASN  13  25.821  -2.175   7.736
  105    H    SER  14           HN       SER  14  23.933  -4.638   3.016
  106    HA   SER  14           HA       SER  14  23.942  -6.802   4.953
  107    HB2  SER  14           HB2      SER  14  21.841  -5.972   4.005
  108    HB3  SER  14           HB1      SER  14  22.379  -6.413   2.383
  109    HG   SER  14           HG       SER  14  22.613  -8.617   3.371
  110    H    THR  15           HN       THR  15  26.306  -6.455   3.085
  111    HA   THR  15           HA       THR  15  26.357  -9.281   2.132
  112    HB   THR  15           HB       THR  15  27.720  -8.398   0.161
  113    HG1  THR  15           HG1      THR  15  26.397  -5.962   0.636
  114   HG21  THR  15          HG21      THR  15  25.721  -7.835  -1.111
  115   HG22  THR  15          HG22      THR  15  24.844  -7.491   0.382
  116   HG23  THR  15          HG23      THR  15  25.357  -9.139   0.019
  117    H    VAL  16           HN       VAL  16  28.583  -6.497   2.203
  118    HA   VAL  16           HA       VAL  16  30.411  -8.128   3.920
  119    HB   VAL  16           HB       VAL  16  31.577  -6.269   1.906
  120   HG11  VAL  16          HG11      VAL  16  32.824  -7.675   3.668
  121   HG12  VAL  16          HG12      VAL  16  33.420  -7.763   2.010
  122   HG13  VAL  16          HG13      VAL  16  32.428  -9.068   2.663
  123   HG21  VAL  16          HG21      VAL  16  29.883  -7.562   0.619
  124   HG22  VAL  16          HG22      VAL  16  30.604  -9.059   1.208
  125   HG23  VAL  16          HG23      VAL  16  31.528  -7.988   0.156
  126    H    ASN  17           HN       ASN  17  29.438  -6.821   5.617
  127    HA   ASN  17           HA       ASN  17  30.933  -4.313   5.908
  128    HB2  ASN  17           HB2      ASN  17  28.271  -4.300   4.997
  129    HB3  ASN  17           HB1      ASN  17  28.199  -3.791   6.684
  130   HD21  ASN  17          HD21      ASN  17  30.992  -2.676   6.544
  131   HD22  ASN  17          HD22      ASN  17  30.827  -1.196   5.697
  132    HA   PRO  18           HA       PRO  18  28.759  -5.472  10.086
  133    HB2  PRO  18           HB2      PRO  18  28.142  -8.334   9.654
  134    HB3  PRO  18           HB1      PRO  18  27.141  -7.063  10.374
  135    HG2  PRO  18           HG2      PRO  18  26.650  -8.106   7.949
  136    HG3  PRO  18           HG1      PRO  18  26.264  -6.424   8.365
  137    HD2  PRO  18           HD2      PRO  18  28.506  -7.508   6.716
  138    HD3  PRO  18           HD1      PRO  18  27.622  -5.975   6.537
  139    H    ILE  19           HN       ILE  19  31.171  -6.666   8.270
  140    HA   ILE  19           HA       ILE  19  32.287  -8.461  10.301
  141    HB   ILE  19           HB       ILE  19  33.802  -7.668   7.840
  142   HG12  ILE  19          HG12      ILE  19  32.104  -9.998   7.402
  143   HG13  ILE  19          HG11      ILE  19  31.139  -8.546   7.652
  144   HG21  ILE  19          HG21      ILE  19  34.929  -9.182   9.299
  145   HG22  ILE  19          HG22      ILE  19  34.318 -10.160   7.967
  146   HG23  ILE  19          HG23      ILE  19  33.479 -10.162   9.517
  147   HD11  ILE  19          HD11      ILE  19  33.510  -8.497   5.800
  148   HD12  ILE  19          HD12      ILE  19  32.103  -7.436   5.821
  149   HD13  ILE  19          HD13      ILE  19  31.949  -9.093   5.242
  150    H    ILE  20           HN       ILE  20  33.840  -5.914   8.352
  151    HA   ILE  20           HA       ILE  20  34.781  -4.626  10.869
  152    HB   ILE  20           HB       ILE  20  36.714  -4.726   8.603
  153   HG12  ILE  20          HG12      ILE  20  37.487  -6.946  10.012
  154   HG13  ILE  20          HG11      ILE  20  35.738  -7.148  10.003
  155   HG21  ILE  20          HG21      ILE  20  36.962  -4.971  11.613
  156   HG22  ILE  20          HG22      ILE  20  37.209  -3.504  10.666
  157   HG23  ILE  20          HG23      ILE  20  38.310  -4.870  10.482
  158   HD11  ILE  20          HD11      ILE  20  35.776  -6.772   7.515
  159   HD12  ILE  20          HD12      ILE  20  36.639  -8.222   8.024
  160   HD13  ILE  20          HD13      ILE  20  37.537  -6.768   7.596
  161    H    TYR  21           HN       TYR  21  34.542  -4.403   7.327
  162    HA   TYR  21           HA       TYR  21  35.091  -1.682   7.003
  163    HB2  TYR  21           HB2      TYR  21  32.889  -2.929   5.376
  164    HB3  TYR  21           HB1      TYR  21  34.212  -1.884   4.861
  165    HD1  TYR  21           HD2      TYR  21  36.536  -3.160   6.179
  166    HD2  TYR  21           HD1      TYR  21  33.213  -4.928   4.098
  167    HE1  TYR  21           HE2      TYR  21  37.920  -5.139   5.650
  168    HE2  TYR  21           HE1      TYR  21  34.613  -6.905   3.570
  169    HH   TYR  21           HH       TYR  21  36.876  -7.963   4.868
  170    H    ALA  22           HN       ALA  22  32.253  -3.182   8.340
  171    HA   ALA  22           HA       ALA  22  30.365  -2.272   9.384
  172    HB1  ALA  22           HB1      ALA  22  30.856  -0.160  10.638
  173    HB2  ALA  22           HB2      ALA  22  32.399  -0.064   9.791
  174    HB3  ALA  22           HB3      ALA  22  32.070  -1.416  10.872
  175    H    LEU  23           HN       LEU  23  31.752   0.726   8.047
  176    HA   LEU  23           HA       LEU  23  29.968   1.101   5.886
  177    HB2  LEU  23           HB2      LEU  23  28.736   1.529   8.494
  178    HB3  LEU  23           HB1      LEU  23  28.754   3.025   7.554
  179    HG   LEU  23           HG       LEU  23  27.880   0.417   6.310
  180   HD11  LEU  23          HD11      LEU  23  25.541   1.085   6.849
  181   HD12  LEU  23          HD12      LEU  23  26.172   2.376   7.874
  182   HD13  LEU  23          HD13      LEU  23  26.482   0.688   8.287
  183   HD21  LEU  23          HD21      LEU  23  27.088   1.743   4.594
  184   HD22  LEU  23          HD22      LEU  23  28.389   2.788   5.156
  185   HD23  LEU  23          HD23      LEU  23  26.730   3.097   5.664
  186    H    ARG  24           HN       ARG  24  31.787   2.464   8.549
  187    HA   ARG  24           HA       ARG  24  32.129   5.118   7.637
  188    HB2  ARG  24           HB2      ARG  24  32.882   3.954   9.852
  189    HB3  ARG  24           HB1      ARG  24  34.366   3.601   8.973
  190    HG2  ARG  24           HG2      ARG  24  34.779   5.941   8.578
  191    HG3  ARG  24           HG1      ARG  24  33.192   6.385   9.198
  192    HD2  ARG  24           HD2      ARG  24  34.699   6.828  10.992
  193    HD3  ARG  24           HD1      ARG  24  33.923   5.299  11.409
  194    HE   ARG  24           HE       ARG  24  36.451   5.043   9.917
  195   HH11  ARG  24          HH21      ARG  24  34.811   5.146  12.966
  196   HH12  ARG  24          HH22      ARG  24  36.081   4.336  13.817
  197   HH21  ARG  24          HH11      ARG  24  38.103   3.979  11.026
  198   HH22  ARG  24          HH12      ARG  24  37.947   3.685  12.729
  199    H    SER  25           HN       SER  25  34.833   2.800   7.484
  200    HA   SER  25           HA       SER  25  35.889   4.194   5.149
  201    HB2  SER  25           HB2      SER  25  37.502   2.053   5.379
  202    HB3  SER  25           HB1      SER  25  37.660   3.483   6.409
  203    HG   SER  25           HG       SER  25  37.118   0.984   7.127
  204    H    LYS  26           HN       LYS  26  33.447   2.041   5.384
  205    HA   LYS  26           HA       LYS  26  33.902  -0.099   3.677
  206    HB2  LYS  26           HB2      LYS  26  31.639   1.095   4.727
  207    HB3  LYS  26           HB1      LYS  26  31.411   1.306   2.992
  208    HG2  LYS  26           HG2      LYS  26  32.008  -1.313   4.396
  209    HG3  LYS  26           HG1      LYS  26  30.446  -0.827   3.743
  210    HD2  LYS  26           HD2      LYS  26  31.182  -0.993   1.511
  211    HD3  LYS  26           HD1      LYS  26  32.884  -0.904   1.972
  212    HE2  LYS  26           HE2      LYS  26  32.715  -3.180   1.600
  213    HE3  LYS  26           HE1      LYS  26  32.280  -3.127   3.304
  214    HZ1  LYS  26           HZ1      LYS  26  30.502  -4.256   2.571
  215    HZ2  LYS  26           HZ2      LYS  26  30.617  -3.659   0.984
  216    HZ3  LYS  26           HZ3      LYS  26  29.908  -2.708   2.203
  217    H    ASP  27           HN       ASP  27  33.075   3.223   2.725
  218    HA   ASP  27           HA       ASP  27  32.979   2.896  -0.055
  219    HB2  ASP  27           HB2      ASP  27  32.467   5.026   1.099
  220    HB3  ASP  27           HB1      ASP  27  34.184   5.232   1.461
  221    H    LEU  28           HN       LEU  28  35.844   4.315   1.502
  222    HA   LEU  28           HA       LEU  28  37.628   3.853  -0.587
  223    HB2  LEU  28           HB2      LEU  28  37.807   4.605   2.204
  224    HB3  LEU  28           HB1      LEU  28  39.127   3.511   1.785
  225    HG   LEU  28           HG       LEU  28  39.664   5.943   1.404
  226   HD11  LEU  28          HD11      LEU  28  40.666   5.590  -0.807
  227   HD12  LEU  28          HD12      LEU  28  39.585   4.229  -1.100
  228   HD13  LEU  28          HD13      LEU  28  40.813   4.123   0.160
  229   HD21  LEU  28          HD21      LEU  28  37.175   6.240   0.489
  230   HD22  LEU  28          HD22      LEU  28  37.948   5.870  -1.050
  231   HD23  LEU  28          HD23      LEU  28  38.490   7.253  -0.103
  232    H    ARG  29           HN       ARG  29  36.595   1.637   1.962
  233    HA   ARG  29           HA       ARG  29  38.537  -0.344   1.799
  234    HB2  ARG  29           HB2      ARG  29  36.412  -0.327   3.220
  235    HB3  ARG  29           HB1      ARG  29  35.592  -1.027   1.821
  236    HG2  ARG  29           HG2      ARG  29  38.147  -2.324   2.574
  237    HG3  ARG  29           HG1      ARG  29  36.842  -2.509   3.739
  238    HD2  ARG  29           HD2      ARG  29  35.367  -3.347   1.923
  239    HD3  ARG  29           HD1      ARG  29  36.716  -3.218   0.791
  240    HE   ARG  29           HE       ARG  29  37.264  -4.828   3.186
  241   HH11  ARG  29          HH21      ARG  29  36.335  -4.698  -0.149
  242   HH12  ARG  29          HH22      ARG  29  36.584  -6.387  -0.412
  243   HH21  ARG  29          HH11      ARG  29  37.569  -7.032   2.860
  244   HH22  ARG  29          HH12      ARG  29  37.291  -7.712   1.284
  245    H    HIS  30           HN       HIS  30  35.559  -0.326  -0.222
  246    HA   HIS  30           HA       HIS  30  36.883  -2.232  -2.034
  247    HB2  HIS  30           HB2      HIS  30  34.781  -2.211  -3.296
  248    HB3  HIS  30           HB1      HIS  30  34.482  -2.510  -1.584
  249    HD1  HIS  30           HD1      HIS  30  34.100   0.136  -4.237
  250    HD2  HIS  30           HD2      HIS  30  33.081  -0.441  -0.222
  251    HE1  HIS  30           HE1      HIS  30  32.501   2.006  -3.625
  252    HE2  HIS  30           HE2      HIS  30  31.893   1.681  -1.185
  253    H    ALA  31           HN       ALA  31  36.069   1.199  -1.927
  254    HA   ALA  31           HA       ALA  31  36.878   1.826  -4.628
  255    HB1  ALA  31           HB1      ALA  31  35.966   3.334  -2.506
  256    HB2  ALA  31           HB2      ALA  31  36.670   4.003  -3.978
  257    HB3  ALA  31           HB3      ALA  31  37.676   3.765  -2.550
  258    H    PHE  32           HN       PHE  32  38.460   0.443  -2.029
  259    HA   PHE  32           HA       PHE  32  41.154   1.285  -2.975
  260    HB2  PHE  32           HB2      PHE  32  40.842   1.504  -0.566
  261    HB3  PHE  32           HB1      PHE  32  40.182  -0.115  -0.474
  262    HD1  PHE  32           HD1      PHE  32  43.016   0.398  -2.723
  263    HD2  PHE  32           HD2      PHE  32  41.868  -0.635   1.286
  264    HE1  PHE  32           HE1      PHE  32  45.276  -0.523  -2.317
  265    HE2  PHE  32           HE2      PHE  32  44.131  -1.562   1.690
  266    HZ   PHE  32           HZ       PHE  32  45.835  -1.508  -0.109
  267    H    ARG  33           HN       ARG  33  39.762  -1.646  -1.588
  268    HA   ARG  33           HA       ARG  33  41.436  -3.441  -3.046
  269    HB2  ARG  33           HB2      ARG  33  38.735  -4.022  -1.830
  270    HB3  ARG  33           HB1      ARG  33  40.040  -5.170  -2.090
  271    HG2  ARG  33           HG2      ARG  33  40.063  -2.787  -0.224
  272    HG3  ARG  33           HG1      ARG  33  40.011  -4.474   0.266
  273    HD2  ARG  33           HD2      ARG  33  42.307  -2.845  -0.666
  274    HD3  ARG  33           HD1      ARG  33  42.277  -4.189   0.470
  275    HE   ARG  33           HE       ARG  33  41.943  -5.609  -1.720
  276   HH11  ARG  33          HH21      ARG  33  43.790  -2.693  -1.374
  277   HH12  ARG  33          HH22      ARG  33  44.874  -3.071  -2.668
  278   HH21  ARG  33          HH11      ARG  33  43.350  -6.097  -3.423
  279   HH22  ARG  33          HH12      ARG  33  44.627  -4.998  -3.827
  280    H    SER  34           HN       SER  34  39.505  -1.473  -4.525
  281    HA   SER  34           HA       SER  34  39.010  -3.318  -6.720
  282    HB2  SER  34           HB2      SER  34  36.660  -2.054  -5.284
  283    HB3  SER  34           HB1      SER  34  36.583  -3.051  -6.739
  284    HG   SER  34           HG       SER  34  37.978  -4.433  -5.007
  285    H    MET  35           HN       MET  35  39.965  -0.372  -5.746
  286    HA   MET  35           HA       MET  35  39.487   0.761  -8.408
  287    HB2  MET  35           HB2      MET  35  38.349   2.014  -5.902
  288    HB3  MET  35           HB1      MET  35  38.722   2.977  -7.331
  289    HG2  MET  35           HG2      MET  35  36.808   0.634  -7.170
  290    HG3  MET  35           HG1      MET  35  36.378   2.334  -7.403
  291    HE1  MET  35           HE1      MET  35  37.971   3.700  -9.292
  292    HE2  MET  35           HE2      MET  35  36.240   3.515  -9.554
  293    HE3  MET  35           HE3      MET  35  37.356   3.255 -10.890
  294    H    PHE  36           HN       PHE  36  40.546   1.802  -5.131
  295    HA   PHE  36           HA       PHE  36  42.503   3.605  -6.053
  296    HB2  PHE  36           HB2      PHE  36  41.670   3.017  -3.598
  297    HB3  PHE  36           HB1      PHE  36  43.131   2.022  -3.605
  298    HD1  PHE  36           HD2      PHE  36  41.865   5.490  -4.160
  299    HD2  PHE  36           HD1      PHE  36  45.289   2.997  -3.412
  300    HE1  PHE  36           HE2      PHE  36  43.252   7.509  -3.770
  301    HE2  PHE  36           HE1      PHE  36  46.673   5.017  -3.025
  302    HZ   PHE  36           HZ       PHE  36  45.656   7.273  -3.202
  303    HA   PRO  37           HA       PRO  37  45.343   0.569  -7.746
  304    HB2  PRO  37           HB2      PRO  37  47.003   2.264  -8.960
  305    HB3  PRO  37           HB1      PRO  37  45.316   2.119  -9.520
  306    HG2  PRO  37           HG2      PRO  37  46.506   4.158  -7.665
  307    HG3  PRO  37           HG1      PRO  37  45.523   4.409  -9.105
  308    HD2  PRO  37           HD2      PRO  37  44.429   4.420  -6.617
  309    HD3  PRO  37           HD1      PRO  37  43.533   3.825  -8.041
  310    H    SER  38           HN       SER  38  46.145   3.254  -5.664
  311    HA   SER  38           HA       SER  38  47.776   3.484  -4.004
  312    HB2  SER  38           HB2      SER  38  47.208   0.668  -4.316
  313    HB3  SER  38           HB1      SER  38  48.887   0.909  -3.809
  314    HG   SER  38           HG       SER  38  47.846   1.005  -1.922
  315    H    ALA  39           HN       ALA  39  48.351   3.534  -6.990
  316    HA   ALA  39           HA       ALA  39  51.018   2.556  -7.420
  317    HB1  ALA  39           HB1      ALA  39  49.537   4.851  -8.750
  318    HB2  ALA  39           HB2      ALA  39  49.572   3.177  -9.306
  319    HB3  ALA  39           HB3      ALA  39  51.044   4.147  -9.336
  320    H    GLU  40           HN       GLU  40  49.769   5.803  -6.655
  321    HA   GLU  40           HA       GLU  40  52.200   6.335  -5.059
  322    HB2  GLU  40           HB2      GLU  40  51.261   8.208  -7.257
  323    HB3  GLU  40           HB1      GLU  40  52.629   8.467  -6.175
  324    HG2  GLU  40           HG2      GLU  40  53.600   6.288  -7.080
  325    HG3  GLU  40           HG1      GLU  40  52.346   6.347  -8.318
  Start of MODEL    9
    1    H1   THR   1           HT1      THR   1  16.846   9.295  -7.583
    2    H2   THR   1           HT2      THR   1  16.979   9.403  -5.895
    3    H3   THR   1           HT3      THR   1  15.567   8.774  -6.596
    4    HA   THR   1           HA       THR   1  16.490   6.775  -7.070
    5    HB   THR   1           HB       THR   1  19.332   7.478  -6.802
    6    HG1  THR   1           HG1      THR   1  19.393   9.030  -8.210
    7   HG21  THR   1          HG21      THR   1  17.817   6.324  -9.158
    8   HG22  THR   1          HG22      THR   1  18.295   5.356  -7.762
    9   HG23  THR   1          HG23      THR   1  19.525   6.121  -8.766
   10    H    VAL   2           HN       VAL   2  16.397   8.572  -4.454
   11    HA   VAL   2           HA       VAL   2  18.239   7.647  -2.561
   12    HB   VAL   2           HB       VAL   2  15.262   8.021  -2.083
   13   HG11  VAL   2          HG11      VAL   2  17.694   8.260  -0.288
   14   HG12  VAL   2          HG12      VAL   2  16.430   7.037  -0.176
   15   HG13  VAL   2          HG13      VAL   2  16.060   8.724   0.180
   16   HG21  VAL   2          HG21      VAL   2  15.529  10.251  -2.378
   17   HG22  VAL   2          HG22      VAL   2  17.075   9.882  -3.143
   18   HG23  VAL   2          HG23      VAL   2  17.010  10.261  -1.424
   19    H    PHE   3           HN       PHE   3  15.498   5.973  -4.001
   20    HA   PHE   3           HA       PHE   3  15.336   3.765  -2.212
   21    HB2  PHE   3           HB2      PHE   3  13.986   2.764  -3.807
   22    HB3  PHE   3           HB1      PHE   3  13.922   4.427  -4.399
   23    HD1  PHE   3           HD2      PHE   3  15.383   5.133  -6.298
   24    HD2  PHE   3           HD1      PHE   3  15.134   1.034  -5.039
   25    HE1  PHE   3           HE2      PHE   3  16.400   4.417  -8.443
   26    HE2  PHE   3           HE1      PHE   3  16.154   0.316  -7.183
   27    HZ   PHE   3           HZ       PHE   3  16.786   2.005  -8.885
   28    H    ALA   4           HN       ALA   4  17.423   4.343  -5.031
   29    HA   ALA   4           HA       ALA   4  18.722   1.783  -4.994
   30    HB1  ALA   4           HB1      ALA   4  18.881   3.284  -6.938
   31    HB2  ALA   4           HB2      ALA   4  20.491   2.907  -6.328
   32    HB3  ALA   4           HB3      ALA   4  19.756   4.468  -5.967
   33    H    PHE   5           HN       PHE   5  19.564   4.925  -3.568
   34    HA   PHE   5           HA       PHE   5  21.984   4.099  -2.291
   35    HB2  PHE   5           HB2      PHE   5  20.536   6.470  -2.452
   36    HB3  PHE   5           HB1      PHE   5  20.405   6.034  -0.747
   37    HD1  PHE   5           HD1      PHE   5  22.862   6.477  -3.526
   38    HD2  PHE   5           HD2      PHE   5  22.248   6.318   0.728
   39    HE1  PHE   5           HE1      PHE   5  25.197   7.220  -3.160
   40    HE2  PHE   5           HE2      PHE   5  24.586   7.064   1.086
   41    HZ   PHE   5           HZ       PHE   5  26.058   7.519  -0.857
   42    H    ALA   6           HN       ALA   6  18.713   4.437  -0.868
   43    HA   ALA   6           HA       ALA   6  19.248   3.246   1.616
   44    HB1  ALA   6           HB1      ALA   6  17.088   4.253   1.186
   45    HB2  ALA   6           HB2      ALA   6  16.821   2.555   1.577
   46    HB3  ALA   6           HB3      ALA   6  16.753   3.094  -0.100
   47    H    SER   7           HN       SER   7  18.505   1.701  -1.486
   48    HA   SER   7           HA       SER   7  18.361  -0.984  -0.480
   49    HB2  SER   7           HB2      SER   7  19.202  -0.043  -3.237
   50    HB3  SER   7           HB1      SER   7  18.635  -1.663  -2.816
   51    HG   SER   7           HG       SER   7  17.209   0.802  -2.762
   52    H    MET   8           HN       MET   8  21.009   0.605  -2.297
   53    HA   MET   8           HA       MET   8  22.934  -1.428  -1.873
   54    HB2  MET   8           HB2      MET   8  22.970   1.422  -2.657
   55    HB3  MET   8           HB1      MET   8  24.461   0.843  -1.921
   56    HG2  MET   8           HG2      MET   8  24.529  -1.039  -3.514
   57    HG3  MET   8           HG1      MET   8  23.031  -0.456  -4.258
   58    HE1  MET   8           HE1      MET   8  23.835   2.702  -6.044
   59    HE2  MET   8           HE2      MET   8  23.448   2.819  -4.330
   60    HE3  MET   8           HE3      MET   8  22.648   1.606  -5.326
   61    H    LEU   9           HN       LEU   9  22.210   1.462   0.038
   62    HA   LEU   9           HA       LEU   9  24.171   1.366   1.996
   63    HB2  LEU   9           HB2      LEU   9  21.562   2.511   1.723
   64    HB3  LEU   9           HB1      LEU   9  21.663   1.780   3.322
   65    HG   LEU   9           HG       LEU   9  23.817   3.598   2.214
   66   HD11  LEU   9          HD11      LEU   9  21.562   4.332   4.104
   67   HD12  LEU   9          HD12      LEU   9  21.606   4.768   2.398
   68   HD13  LEU   9          HD13      LEU   9  22.823   5.404   3.500
   69   HD21  LEU   9          HD21      LEU   9  23.126   2.856   5.077
   70   HD22  LEU   9          HD22      LEU   9  24.564   3.706   4.508
   71   HD23  LEU   9          HD23      LEU   9  24.339   2.000   4.122
   72    H    CYS  10           HN       CYS  10  20.970  -0.170   2.430
   73    HA   CYS  10           HA       CYS  10  21.762  -1.776   4.643
   74    HB2  CYS  10           HB2      CYS  10  19.454  -1.648   2.797
   75    HB3  CYS  10           HB1      CYS  10  19.740  -3.240   3.511
   76    HG   CYS  10           HG       CYS  10  18.798  -0.748   5.028
   77    H    LEU  11           HN       LEU  11  21.432  -2.675   1.191
   78    HA   LEU  11           HA       LEU  11  22.203  -5.368   1.420
   79    HB2  LEU  11           HB2      LEU  11  22.240  -3.342  -0.753
   80    HB3  LEU  11           HB1      LEU  11  23.301  -4.731  -0.986
   81    HG   LEU  11           HG       LEU  11  21.452  -6.275  -0.699
   82   HD11  LEU  11          HD11      LEU  11  19.096  -5.241  -0.507
   83   HD12  LEU  11          HD12      LEU  11  19.916  -3.776   0.028
   84   HD13  LEU  11          HD13      LEU  11  20.080  -5.266   0.957
   85   HD21  LEU  11          HD21      LEU  11  21.772  -5.267  -2.943
   86   HD22  LEU  11          HD22      LEU  11  20.632  -3.990  -2.517
   87   HD23  LEU  11          HD23      LEU  11  20.080  -5.661  -2.637
   88    H    LEU  12           HN       LEU  12  24.377  -2.687   0.496
   89    HA   LEU  12           HA       LEU  12  26.810  -4.115   0.644
   90    HB2  LEU  12           HB2      LEU  12  26.031  -1.234   0.898
   91    HB3  LEU  12           HB1      LEU  12  27.650  -1.691   1.417
   92    HG   LEU  12           HG       LEU  12  28.127  -2.662  -0.776
   93   HD11  LEU  12          HD11      LEU  12  26.021  -3.556  -1.458
   94   HD12  LEU  12          HD12      LEU  12  26.382  -2.270  -2.609
   95   HD13  LEU  12          HD13      LEU  12  25.228  -1.987  -1.310
   96   HD21  LEU  12          HD21      LEU  12  26.804   0.038  -1.174
   97   HD22  LEU  12          HD22      LEU  12  28.159  -0.632  -2.085
   98   HD23  LEU  12          HD23      LEU  12  28.374  -0.170  -0.394
   99    H    ASN  13           HN       ASN  13  25.046  -2.305   3.125
  100    HA   ASN  13           HA       ASN  13  26.942  -2.715   5.222
  101    HB2  ASN  13           HB2      ASN  13  24.036  -2.003   5.079
  102    HB3  ASN  13           HB1      ASN  13  24.709  -2.483   6.628
  103   HD21  ASN  13          HD21      ASN  13  26.867  -1.035   4.362
  104   HD22  ASN  13          HD22      ASN  13  26.987   0.503   5.118
  105    H    SER  14           HN       SER  14  24.657  -4.831   3.742
  106    HA   SER  14           HA       SER  14  24.530  -6.545   6.099
  107    HB2  SER  14           HB2      SER  14  23.465  -7.060   3.312
  108    HB3  SER  14           HB1      SER  14  23.015  -7.921   4.784
  109    HG   SER  14           HG       SER  14  22.630  -5.143   4.225
  110    H    THR  15           HN       THR  15  26.685  -6.195   3.510
  111    HA   THR  15           HA       THR  15  27.701  -8.965   3.976
  112    HB   THR  15           HB       THR  15  26.922  -9.175   1.794
  113    HG1  THR  15           HG1      THR  15  29.448  -9.064   2.102
  114   HG21  THR  15          HG21      THR  15  26.044  -7.095   1.231
  115   HG22  THR  15          HG22      THR  15  27.412  -7.200   0.127
  116   HG23  THR  15          HG23      THR  15  27.544  -6.244   1.600
  117    H    VAL  16           HN       VAL  16  28.499  -5.597   3.389
  118    HA   VAL  16           HA       VAL  16  31.175  -6.113   4.515
  119    HB   VAL  16           HB       VAL  16  31.900  -4.685   2.330
  120   HG11  VAL  16          HG11      VAL  16  32.830  -6.860   3.336
  121   HG12  VAL  16          HG12      VAL  16  33.012  -6.639   1.596
  122   HG13  VAL  16          HG13      VAL  16  31.741  -7.687   2.223
  123   HG21  VAL  16          HG21      VAL  16  30.851  -5.538   0.350
  124   HG22  VAL  16          HG22      VAL  16  29.552  -4.989   1.411
  125   HG23  VAL  16          HG23      VAL  16  29.920  -6.709   1.282
  126    H    ASN  17           HN       ASN  17  30.530  -4.636   6.163
  127    HA   ASN  17           HA       ASN  17  31.402  -2.029   5.673
  128    HB2  ASN  17           HB2      ASN  17  28.757  -2.334   4.769
  129    HB3  ASN  17           HB1      ASN  17  28.646  -1.416   6.273
  130   HD21  ASN  17          HD21      ASN  17  31.306  -0.260   6.057
  131   HD22  ASN  17          HD22      ASN  17  31.223   0.930   4.832
  132    HA   PRO  18           HA       PRO  18  29.498  -2.236  10.090
  133    HB2  PRO  18           HB2      PRO  18  28.784  -5.007  10.560
  134    HB3  PRO  18           HB1      PRO  18  27.770  -3.566  10.709
  135    HG2  PRO  18           HG2      PRO  18  27.560  -5.533   8.773
  136    HG3  PRO  18           HG1      PRO  18  26.804  -3.929   8.723
  137    HD2  PRO  18           HD2      PRO  18  29.106  -4.964   7.201
  138    HD3  PRO  18           HD1      PRO  18  28.076  -3.556   6.864
  139    H    ILE  19           HN       ILE  19  31.981  -2.976   8.784
  140    HA   ILE  19           HA       ILE  19  33.200  -4.647  10.914
  141    HB   ILE  19           HB       ILE  19  34.159  -4.665   8.048
  142   HG12  ILE  19          HG12      ILE  19  32.643  -7.021   8.929
  143   HG13  ILE  19          HG11      ILE  19  31.643  -5.578   8.792
  144   HG21  ILE  19          HG21      ILE  19  35.576  -5.507  10.019
  145   HG22  ILE  19          HG22      ILE  19  35.328  -6.640   8.691
  146   HG23  ILE  19          HG23      ILE  19  34.390  -6.802  10.174
  147   HD11  ILE  19          HD11      ILE  19  33.445  -6.722   6.642
  148   HD12  ILE  19          HD12      ILE  19  32.552  -5.209   6.497
  149   HD13  ILE  19          HD13      ILE  19  31.684  -6.735   6.647
  150    H    ILE  20           HN       ILE  20  34.648  -2.962   8.130
  151    HA   ILE  20           HA       ILE  20  35.969  -1.085  10.044
  152    HB   ILE  20           HB       ILE  20  37.442  -1.958   7.587
  153   HG12  ILE  20          HG12      ILE  20  38.436  -3.692   9.463
  154   HG13  ILE  20          HG11      ILE  20  36.716  -3.739   9.845
  155   HG21  ILE  20          HG21      ILE  20  38.294  -1.332  10.430
  156   HG22  ILE  20          HG22      ILE  20  38.299  -0.186   9.089
  157   HG23  ILE  20          HG23      ILE  20  39.371  -1.584   9.055
  158   HD11  ILE  20          HD11      ILE  20  37.972  -4.253   7.132
  159   HD12  ILE  20          HD12      ILE  20  36.236  -4.190   7.433
  160   HD13  ILE  20          HD13      ILE  20  37.214  -5.450   8.181
  161    H    TYR  21           HN       TYR  21  34.629  -1.701   6.861
  162    HA   TYR  21           HA       TYR  21  35.258   0.966   5.855
  163    HB2  TYR  21           HB2      TYR  21  33.112  -0.489   4.470
  164    HB3  TYR  21           HB1      TYR  21  34.616   0.168   3.840
  165    HD1  TYR  21           HD2      TYR  21  36.809  -1.104   4.755
  166    HD2  TYR  21           HD1      TYR  21  32.878  -2.818   4.442
  167    HE1  TYR  21           HE2      TYR  21  37.801  -3.375   4.691
  168    HE2  TYR  21           HE1      TYR  21  33.873  -5.086   4.377
  169    HH   TYR  21           HH       TYR  21  36.387  -6.020   5.372
  170    H    ALA  22           HN       ALA  22  33.212   0.027   8.182
  171    HA   ALA  22           HA       ALA  22  30.843   0.550   8.600
  172    HB1  ALA  22           HB1      ALA  22  31.991   1.611  10.316
  173    HB2  ALA  22           HB2      ALA  22  31.147   2.976   9.582
  174    HB3  ALA  22           HB3      ALA  22  32.852   2.692   9.217
  175    H    LEU  23           HN       LEU  23  32.099   3.611   7.366
  176    HA   LEU  23           HA       LEU  23  30.564   3.608   4.951
  177    HB2  LEU  23           HB2      LEU  23  29.289   4.708   7.398
  178    HB3  LEU  23           HB1      LEU  23  29.235   5.759   5.980
  179    HG   LEU  23           HG       LEU  23  28.614   2.941   5.389
  180   HD11  LEU  23          HD11      LEU  23  27.069   4.469   7.455
  181   HD12  LEU  23          HD12      LEU  23  27.411   2.742   7.359
  182   HD13  LEU  23          HD13      LEU  23  26.185   3.455   6.314
  183   HD21  LEU  23          HD21      LEU  23  27.066   3.911   3.909
  184   HD22  LEU  23          HD22      LEU  23  28.354   5.117   3.971
  185   HD23  LEU  23          HD23      LEU  23  26.877   5.356   4.904
  186    H    ARG  24           HN       ARG  24  31.794   5.644   7.541
  187    HA   ARG  24           HA       ARG  24  32.822   7.858   6.151
  188    HB2  ARG  24           HB2      ARG  24  33.375   6.441   8.662
  189    HB3  ARG  24           HB1      ARG  24  34.835   7.124   7.952
  190    HG2  ARG  24           HG2      ARG  24  34.206   9.056   8.921
  191    HG3  ARG  24           HG1      ARG  24  33.024   9.163   7.625
  192    HD2  ARG  24           HD2      ARG  24  31.315   8.898   9.087
  193    HD3  ARG  24           HD1      ARG  24  32.046   7.428   9.730
  194    HE   ARG  24           HE       ARG  24  33.134  10.028  10.663
  195   HH11  ARG  24          HH21      ARG  24  31.245   7.169  11.212
  196   HH12  ARG  24          HH22      ARG  24  31.258   7.345  12.932
  197   HH21  ARG  24          HH11      ARG  24  33.150  10.255  12.905
  198   HH22  ARG  24          HH12      ARG  24  32.321   9.098  13.891
  199    H    SER  25           HN       SER  25  33.915   4.549   6.362
  200    HA   SER  25           HA       SER  25  36.282   5.220   4.687
  201    HB2  SER  25           HB2      SER  25  37.167   3.071   5.738
  202    HB3  SER  25           HB1      SER  25  36.922   4.438   6.844
  203    HG   SER  25           HG       SER  25  36.029   2.305   7.505
  204    H    LYS  26           HN       LYS  26  33.297   4.148   4.171
  205    HA   LYS  26           HA       LYS  26  33.557   1.636   2.836
  206    HB2  LYS  26           HB2      LYS  26  31.544   3.605   3.104
  207    HB3  LYS  26           HB1      LYS  26  31.832   3.464   1.371
  208    HG2  LYS  26           HG2      LYS  26  31.215   1.176   3.259
  209    HG3  LYS  26           HG1      LYS  26  30.101   1.870   2.091
  210    HD2  LYS  26           HD2      LYS  26  31.024   0.721   0.361
  211    HD3  LYS  26           HD1      LYS  26  32.669   1.057   0.904
  212    HE2  LYS  26           HE2      LYS  26  32.338  -1.324   1.062
  213    HE3  LYS  26           HE1      LYS  26  32.336  -0.689   2.701
  214    HZ1  LYS  26           HZ1      LYS  26  30.508  -2.154   2.536
  215    HZ2  LYS  26           HZ2      LYS  26  29.995  -1.466   1.063
  216    HZ3  LYS  26           HZ3      LYS  26  29.855  -0.580   2.519
  217    H    ASP  27           HN       ASP  27  34.150   4.954   1.866
  218    HA   ASP  27           HA       ASP  27  34.713   4.560  -0.881
  219    HB2  ASP  27           HB2      ASP  27  34.603   6.744   0.533
  220    HB3  ASP  27           HB1      ASP  27  36.322   6.451   0.797
  221    H    LEU  28           HN       LEU  28  37.055   4.667   1.802
  222    HA   LEU  28           HA       LEU  28  39.284   3.853   0.223
  223    HB2  LEU  28           HB2      LEU  28  38.753   3.708   3.203
  224    HB3  LEU  28           HB1      LEU  28  40.291   3.227   2.481
  225    HG   LEU  28           HG       LEU  28  40.569   5.505   3.167
  226   HD11  LEU  28          HD11      LEU  28  41.207   6.534   1.155
  227   HD12  LEU  28          HD12      LEU  28  39.849   5.851   0.264
  228   HD13  LEU  28          HD13      LEU  28  41.203   4.821   0.733
  229   HD21  LEU  28          HD21      LEU  28  37.925   5.770   3.125
  230   HD22  LEU  28          HD22      LEU  28  38.248   6.476   1.542
  231   HD23  LEU  28          HD23      LEU  28  38.976   7.179   2.987
  232    H    ARG  29           HN       ARG  29  36.601   2.083   0.656
  233    HA   ARG  29           HA       ARG  29  37.975  -0.494   1.181
  234    HB2  ARG  29           HB2      ARG  29  35.666   0.124   2.108
  235    HB3  ARG  29           HB1      ARG  29  35.062  -0.119   0.466
  236    HG2  ARG  29           HG2      ARG  29  36.780  -2.247   1.706
  237    HG3  ARG  29           HG1      ARG  29  35.095  -2.125   2.203
  238    HD2  ARG  29           HD2      ARG  29  34.373  -2.320  -0.150
  239    HD3  ARG  29           HD1      ARG  29  36.061  -2.430  -0.661
  240    HE   ARG  29           HE       ARG  29  35.810  -4.467   1.199
  241   HH11  ARG  29          HH21      ARG  29  34.188  -3.519  -1.719
  242   HH12  ARG  29          HH22      ARG  29  33.649  -5.123  -2.086
  243   HH21  ARG  29          HH11      ARG  29  35.139  -6.558   0.697
  244   HH22  ARG  29          HH12      ARG  29  34.206  -6.844  -0.732
  245    H    HIS  30           HN       HIS  30  35.664   0.683  -1.297
  246    HA   HIS  30           HA       HIS  30  36.641  -1.262  -3.217
  247    HB2  HIS  30           HB2      HIS  30  35.291   0.172  -4.863
  248    HB3  HIS  30           HB1      HIS  30  34.387  -0.603  -3.556
  249    HD1  HIS  30           HD1      HIS  30  35.057   2.668  -5.058
  250    HD2  HIS  30           HD2      HIS  30  33.842   1.293  -1.300
  251    HE1  HIS  30           HE1      HIS  30  34.013   4.644  -3.860
  252    HE2  HIS  30           HE2      HIS  30  33.249   3.814  -1.593
  253    H    ALA  31           HN       ALA  31  37.015   2.264  -2.805
  254    HA   ALA  31           HA       ALA  31  38.794   2.800  -4.926
  255    HB1  ALA  31           HB1      ALA  31  39.185   3.848  -2.109
  256    HB2  ALA  31           HB2      ALA  31  37.906   4.444  -3.167
  257    HB3  ALA  31           HB3      ALA  31  39.597   4.646  -3.628
  258    H    PHE  32           HN       PHE  32  39.365   1.261  -1.802
  259    HA   PHE  32           HA       PHE  32  42.215   0.933  -2.194
  260    HB2  PHE  32           HB2      PHE  32  41.365   0.835   0.034
  261    HB3  PHE  32           HB1      PHE  32  40.177  -0.377  -0.420
  262    HD1  PHE  32           HD2      PHE  32  43.885   0.171  -0.293
  263    HD2  PHE  32           HD1      PHE  32  40.650  -2.640  -0.094
  264    HE1  PHE  32           HE2      PHE  32  45.487  -1.632   0.283
  265    HE2  PHE  32           HE1      PHE  32  42.251  -4.444   0.479
  266    HZ   PHE  32           HZ       PHE  32  44.669  -3.938   0.670
  267    H    ARG  33           HN       ARG  33  39.518  -1.419  -2.324
  268    HA   ARG  33           HA       ARG  33  41.131  -3.353  -3.815
  269    HB2  ARG  33           HB2      ARG  33  38.189  -3.222  -3.106
  270    HB3  ARG  33           HB1      ARG  33  38.915  -4.565  -3.988
  271    HG2  ARG  33           HG2      ARG  33  40.336  -3.760  -1.526
  272    HG3  ARG  33           HG1      ARG  33  38.737  -4.454  -1.260
  273    HD2  ARG  33           HD2      ARG  33  41.119  -5.706  -2.643
  274    HD3  ARG  33           HD1      ARG  33  40.244  -6.306  -1.236
  275    HE   ARG  33           HE       ARG  33  39.395  -6.561  -4.052
  276   HH11  ARG  33          HH21      ARG  33  38.620  -6.780  -0.679
  277   HH12  ARG  33          HH22      ARG  33  37.274  -7.838  -0.929
  278   HH21  ARG  33          HH11      ARG  33  37.622  -7.922  -4.375
  279   HH22  ARG  33          HH12      ARG  33  36.698  -8.468  -3.018
  280    H    SER  34           HN       SER  34  41.213  -0.987  -5.159
  281    HA   SER  34           HA       SER  34  40.256  -1.681  -7.778
  282    HB2  SER  34           HB2      SER  34  38.200  -0.755  -6.361
  283    HB3  SER  34           HB1      SER  34  38.913   0.806  -6.785
  284    HG   SER  34           HG       SER  34  38.369   0.512  -8.810
  285    H    MET  35           HN       MET  35  41.562   0.659  -5.525
  286    HA   MET  35           HA       MET  35  43.044   1.955  -7.778
  287    HB2  MET  35           HB2      MET  35  42.158   3.207  -5.151
  288    HB3  MET  35           HB1      MET  35  43.007   4.031  -6.470
  289    HG2  MET  35           HG2      MET  35  40.276   2.725  -6.744
  290    HG3  MET  35           HG1      MET  35  40.536   4.456  -6.492
  291    HE1  MET  35           HE1      MET  35  42.129   5.809  -9.543
  292    HE2  MET  35           HE2      MET  35  43.228   5.034  -8.408
  293    HE3  MET  35           HE3      MET  35  41.826   5.911  -7.805
  294    H    PHE  36           HN       PHE  36  43.150   1.429  -4.249
  295    HA   PHE  36           HA       PHE  36  45.880   2.023  -3.903
  296    HB2  PHE  36           HB2      PHE  36  43.978   1.521  -2.161
  297    HB3  PHE  36           HB1      PHE  36  44.610  -0.129  -2.252
  298    HD1  PHE  36           HD2      PHE  36  46.912  -0.633  -1.539
  299    HD2  PHE  36           HD1      PHE  36  45.296   3.337  -1.241
  300    HE1  PHE  36           HE2      PHE  36  48.784   0.018  -0.052
  301    HE2  PHE  36           HE1      PHE  36  47.171   3.986   0.248
  302    HZ   PHE  36           HZ       PHE  36  48.915   2.327   0.841
  303    HA   PRO  37           HA       PRO  37  47.531  -1.739  -5.833
  304    HB2  PRO  37           HB2      PRO  37  50.001  -0.865  -6.260
  305    HB3  PRO  37           HB1      PRO  37  48.650  -0.130  -7.156
  306    HG2  PRO  37           HG2      PRO  37  50.022   0.867  -4.687
  307    HG3  PRO  37           HG1      PRO  37  49.649   1.728  -6.170
  308    HD2  PRO  37           HD2      PRO  37  48.052   1.864  -3.939
  309    HD3  PRO  37           HD1      PRO  37  47.413   2.056  -5.594
  310    H    SER  38           HN       SER  38  49.203   0.108  -3.295
  311    HA   SER  38           HA       SER  38  50.495  -0.611  -1.465
  312    HB2  SER  38           HB2      SER  38  48.432  -2.526  -1.794
  313    HB3  SER  38           HB1      SER  38  49.921  -3.442  -1.533
  314    HG   SER  38           HG       SER  38  50.066  -2.666   0.441
  315    H    ALA  39           HN       ALA  39  51.327  -0.682  -4.299
  316    HA   ALA  39           HA       ALA  39  53.141  -2.998  -4.469
  317    HB1  ALA  39           HB1      ALA  39  53.647  -2.151  -6.726
  318    HB2  ALA  39           HB2      ALA  39  52.699  -0.698  -6.400
  319    HB3  ALA  39           HB3      ALA  39  51.904  -2.270  -6.487
  320    H    GLU  40           HN       GLU  40  54.733  -0.716  -6.099
  321    HA   GLU  40           HA       GLU  40  55.968   0.796  -3.961
  322    HB2  GLU  40           HB2      GLU  40  56.962  -1.756  -4.170
  323    HB3  GLU  40           HB1      GLU  40  58.037  -0.884  -5.256
  324    HG2  GLU  40           HG2      GLU  40  58.152   0.862  -3.288
  325    HG3  GLU  40           HG1      GLU  40  57.608  -0.499  -2.304
  Start of MODEL   10
    1    H1   THR   1           HT1      THR   1  15.717  10.589  -2.899
    2    H2   THR   1           HT2      THR   1  16.665  10.216  -4.257
    3    H3   THR   1           HT3      THR   1  17.271   9.949  -2.695
    4    HA   THR   1           HA       THR   1  14.789   8.601  -3.142
    5    HB   THR   1           HB       THR   1  16.538   6.943  -4.564
    6    HG1  THR   1           HG1      THR   1  17.956   8.358  -5.262
    7   HG21  THR   1          HG21      THR   1  15.059   7.488  -6.489
    8   HG22  THR   1          HG22      THR   1  14.406   8.848  -5.577
    9   HG23  THR   1          HG23      THR   1  14.145   7.199  -5.010
   10    H    VAL   2           HN       VAL   2  15.811   8.926  -0.783
   11    HA   VAL   2           HA       VAL   2  18.050   7.537   0.120
   12    HB   VAL   2           HB       VAL   2  16.315   7.037   2.176
   13   HG11  VAL   2          HG11      VAL   2  18.337   8.340   2.413
   14   HG12  VAL   2          HG12      VAL   2  16.995   9.318   3.005
   15   HG13  VAL   2          HG13      VAL   2  17.681   9.634   1.412
   16   HG21  VAL   2          HG21      VAL   2  15.260   9.588   0.950
   17   HG22  VAL   2          HG22      VAL   2  14.574   8.630   2.261
   18   HG23  VAL   2          HG23      VAL   2  14.495   8.036   0.604
   19    H    PHE   3           HN       PHE   3  14.889   6.219  -0.738
   20    HA   PHE   3           HA       PHE   3  14.983   3.660   0.343
   21    HB2  PHE   3           HB2      PHE   3  14.277   3.879  -2.560
   22    HB3  PHE   3           HB1      PHE   3  13.427   3.046  -1.257
   23    HD1  PHE   3           HD2      PHE   3  12.259   4.429   0.530
   24    HD2  PHE   3           HD1      PHE   3  13.710   6.110  -3.149
   25    HE1  PHE   3           HE2      PHE   3  10.806   6.410   0.862
   26    HE2  PHE   3           HE1      PHE   3  12.261   8.094  -2.815
   27    HZ   PHE   3           HZ       PHE   3  10.808   8.240  -0.809
   28    H    ALA   4           HN       ALA   4  16.573   4.699  -2.690
   29    HA   ALA   4           HA       ALA   4  17.905   2.215  -3.215
   30    HB1  ALA   4           HB1      ALA   4  19.540   3.669  -4.485
   31    HB2  ALA   4           HB2      ALA   4  18.666   5.076  -3.882
   32    HB3  ALA   4           HB3      ALA   4  17.855   3.919  -4.937
   33    H    PHE   5           HN       PHE   5  18.716   5.016  -1.223
   34    HA   PHE   5           HA       PHE   5  21.332   4.116  -0.411
   35    HB2  PHE   5           HB2      PHE   5  20.055   6.437  -0.054
   36    HB3  PHE   5           HB1      PHE   5  19.601   5.677   1.472
   37    HD1  PHE   5           HD1      PHE   5  22.702   5.772  -0.664
   38    HD2  PHE   5           HD2      PHE   5  20.986   6.275   3.244
   39    HE1  PHE   5           HE1      PHE   5  24.950   6.272   0.257
   40    HE2  PHE   5           HE2      PHE   5  23.235   6.777   4.163
   41    HZ   PHE   5           HZ       PHE   5  25.214   6.775   2.670
   42    H    ALA   6           HN       ALA   6  18.160   3.898   1.250
   43    HA   ALA   6           HA       ALA   6  18.960   2.259   3.393
   44    HB1  ALA   6           HB1      ALA   6  16.609   1.434   3.408
   45    HB2  ALA   6           HB2      ALA   6  16.352   2.193   1.838
   46    HB3  ALA   6           HB3      ALA   6  16.696   3.188   3.252
   47    H    SER   7           HN       SER   7  18.194   1.416   0.045
   48    HA   SER   7           HA       SER   7  18.293  -1.436   0.374
   49    HB2  SER   7           HB2      SER   7  19.156   0.075  -2.100
   50    HB3  SER   7           HB1      SER   7  18.470  -1.552  -2.004
   51    HG   SER   7           HG       SER   7  17.120   0.835  -1.199
   52    H    MET   8           HN       MET   8  20.757   0.747  -1.034
   53    HA   MET   8           HA       MET   8  22.919  -1.078  -1.000
   54    HB2  MET   8           HB2      MET   8  22.641   1.893  -0.990
   55    HB3  MET   8           HB1      MET   8  24.206   1.238  -0.517
   56    HG2  MET   8           HG2      MET   8  24.380  -0.011  -2.605
   57    HG3  MET   8           HG1      MET   8  22.744   0.480  -3.067
   58    HE1  MET   8           HE1      MET   8  22.298   2.615  -4.561
   59    HE2  MET   8           HE2      MET   8  22.874   4.127  -3.860
   60    HE3  MET   8           HE3      MET   8  22.042   2.953  -2.843
   61    H    LEU   9           HN       LEU   9  21.695   1.075   1.491
   62    HA   LEU   9           HA       LEU   9  23.754   0.717   3.395
   63    HB2  LEU   9           HB2      LEU   9  21.044   1.821   3.329
   64    HB3  LEU   9           HB1      LEU   9  21.435   1.083   4.880
   65    HG   LEU   9           HG       LEU   9  22.057   3.494   4.793
   66   HD11  LEU   9          HD11      LEU   9  23.459   1.445   5.894
   67   HD12  LEU   9          HD12      LEU   9  23.889   3.143   6.093
   68   HD13  LEU   9          HD13      LEU   9  24.698   2.169   4.871
   69   HD21  LEU   9          HD21      LEU   9  22.612   3.732   2.454
   70   HD22  LEU   9          HD22      LEU   9  23.893   2.529   2.583
   71   HD23  LEU   9          HD23      LEU   9  24.061   4.086   3.390
   72    H    CYS  10           HN       CYS  10  20.501  -0.764   3.462
   73    HA   CYS  10           HA       CYS  10  21.028  -2.755   5.384
   74    HB2  CYS  10           HB2      CYS  10  19.186  -2.619   3.012
   75    HB3  CYS  10           HB1      CYS  10  19.307  -4.113   3.948
   76    HG   CYS  10           HG       CYS  10  18.414  -1.383   5.200
   77    H    LEU  11           HN       LEU  11  21.595  -2.756   1.908
   78    HA   LEU  11           HA       LEU  11  22.652  -5.465   1.891
   79    HB2  LEU  11           HB2      LEU  11  22.574  -3.213  -0.125
   80    HB3  LEU  11           HB1      LEU  11  23.357  -4.749  -0.473
   81    HG   LEU  11           HG       LEU  11  20.501  -4.587   0.506
   82   HD11  LEU  11          HD11      LEU  11  20.685  -3.295  -1.590
   83   HD12  LEU  11          HD12      LEU  11  19.813  -4.804  -1.856
   84   HD13  LEU  11          HD13      LEU  11  21.496  -4.658  -2.361
   85   HD21  LEU  11          HD21      LEU  11  21.414  -6.787   0.727
   86   HD22  LEU  11          HD22      LEU  11  22.214  -6.690  -0.842
   87   HD23  LEU  11          HD23      LEU  11  20.458  -6.818  -0.754
   88    H    LEU  12           HN       LEU  12  24.423  -2.884   0.370
   89    HA   LEU  12           HA       LEU  12  26.967  -3.830   0.841
   90    HB2  LEU  12           HB2      LEU  12  25.991  -0.978   0.591
   91    HB3  LEU  12           HB1      LEU  12  27.704  -1.377   0.686
   92    HG   LEU  12           HG       LEU  12  25.783  -2.509  -1.375
   93   HD11  LEU  12          HD11      LEU  12  26.353  -0.001  -1.503
   94   HD12  LEU  12          HD12      LEU  12  26.676  -0.971  -2.941
   95   HD13  LEU  12          HD13      LEU  12  28.001  -0.517  -1.869
   96   HD21  LEU  12          HD21      LEU  12  28.709  -2.863  -0.784
   97   HD22  LEU  12          HD22      LEU  12  28.144  -2.984  -2.449
   98   HD23  LEU  12          HD23      LEU  12  27.508  -4.077  -1.222
   99    H    ASN  13           HN       ASN  13  25.162  -1.613   2.990
  100    HA   ASN  13           HA       ASN  13  27.408  -1.222   4.725
  101    HB2  ASN  13           HB2      ASN  13  25.017   0.009   4.561
  102    HB3  ASN  13           HB1      ASN  13  24.704  -1.036   5.926
  103   HD21  ASN  13          HD21      ASN  13  27.532   0.913   4.836
  104   HD22  ASN  13          HD22      ASN  13  27.809   1.631   6.367
  105    H    SER  14           HN       SER  14  24.397  -2.926   5.460
  106    HA   SER  14           HA       SER  14  25.432  -3.897   7.880
  107    HB2  SER  14           HB2      SER  14  23.218  -5.425   6.619
  108    HB3  SER  14           HB1      SER  14  23.344  -4.718   8.229
  109    HG   SER  14           HG       SER  14  23.365  -2.639   6.874
  110    H    THR  15           HN       THR  15  25.830  -5.266   4.703
  111    HA   THR  15           HA       THR  15  26.545  -7.891   5.853
  112    HB   THR  15           HB       THR  15  25.379  -7.858   3.681
  113    HG1  THR  15           HG1      THR  15  27.854  -8.957   4.139
  114   HG21  THR  15          HG21      THR  15  27.067  -5.717   3.102
  115   HG22  THR  15          HG22      THR  15  25.989  -6.530   1.970
  116   HG23  THR  15          HG23      THR  15  27.672  -7.027   2.090
  117    H    VAL  16           HN       VAL  16  28.145  -4.994   4.670
  118    HA   VAL  16           HA       VAL  16  30.598  -5.780   6.003
  119    HB   VAL  16           HB       VAL  16  31.639  -5.374   3.466
  120   HG11  VAL  16          HG11      VAL  16  31.169  -8.056   4.790
  121   HG12  VAL  16          HG12      VAL  16  32.428  -6.923   5.285
  122   HG13  VAL  16          HG13      VAL  16  32.469  -7.640   3.674
  123   HG21  VAL  16          HG21      VAL  16  30.565  -6.847   1.947
  124   HG22  VAL  16          HG22      VAL  16  29.269  -5.881   2.649
  125   HG23  VAL  16          HG23      VAL  16  29.547  -7.530   3.214
  126    H    ASN  17           HN       ASN  17  30.733  -3.745   6.926
  127    HA   ASN  17           HA       ASN  17  31.897  -1.720   5.345
  128    HB2  ASN  17           HB2      ASN  17  29.027  -1.798   5.227
  129    HB3  ASN  17           HB1      ASN  17  29.546  -0.288   5.977
  130   HD21  ASN  17          HD21      ASN  17  32.048  -0.044   4.634
  131   HD22  ASN  17          HD22      ASN  17  31.721   0.332   3.000
  132    HA   PRO  18           HA       PRO  18  30.609   0.116   9.710
  133    HB2  PRO  18           HB2      PRO  18  30.168  -2.519  11.038
  134    HB3  PRO  18           HB1      PRO  18  29.334  -0.976  11.294
  135    HG2  PRO  18           HG2      PRO  18  28.208  -3.008   9.964
  136    HG3  PRO  18           HG1      PRO  18  27.886  -1.310   9.555
  137    HD2  PRO  18           HD2      PRO  18  29.511  -3.326   8.092
  138    HD3  PRO  18           HD1      PRO  18  28.654  -1.901   7.467
  139    H    ILE  19           HN       ILE  19  32.301  -2.752   8.826
  140    HA   ILE  19           HA       ILE  19  34.169  -2.852  10.975
  141    HB   ILE  19           HB       ILE  19  34.884  -3.726   8.190
  142   HG12  ILE  19          HG12      ILE  19  33.592  -5.899   9.326
  143   HG13  ILE  19          HG11      ILE  19  32.536  -4.555   9.760
  144   HG21  ILE  19          HG21      ILE  19  36.442  -4.015  10.146
  145   HG22  ILE  19          HG22      ILE  19  35.981  -5.534   9.377
  146   HG23  ILE  19          HG23      ILE  19  35.226  -5.048  10.895
  147   HD11  ILE  19          HD11      ILE  19  32.817  -3.854   7.258
  148   HD12  ILE  19          HD12      ILE  19  31.729  -5.184   7.654
  149   HD13  ILE  19          HD13      ILE  19  33.343  -5.522   7.028
  150    H    ILE  20           HN       ILE  20  34.807  -1.773   7.603
  151    HA   ILE  20           HA       ILE  20  36.407   0.466   8.740
  152    HB   ILE  20           HB       ILE  20  37.657  -0.925   6.427
  153   HG12  ILE  20          HG12      ILE  20  38.880  -2.337   8.341
  154   HG13  ILE  20          HG11      ILE  20  37.305  -2.203   9.113
  155   HG21  ILE  20          HG21      ILE  20  39.699  -0.379   7.815
  156   HG22  ILE  20          HG22      ILE  20  38.620   0.390   8.979
  157   HG23  ILE  20          HG23      ILE  20  38.737   1.018   7.335
  158   HD11  ILE  20          HD11      ILE  20  36.451  -2.904   6.690
  159   HD12  ILE  20          HD12      ILE  20  36.964  -4.113   7.863
  160   HD13  ILE  20          HD13      ILE  20  38.066  -3.603   6.589
  161    H    TYR  21           HN       TYR  21  35.342  -1.037   5.662
  162    HA   TYR  21           HA       TYR  21  35.718   1.320   4.136
  163    HB2  TYR  21           HB2      TYR  21  33.578  -0.302   3.025
  164    HB3  TYR  21           HB1      TYR  21  35.184   0.023   2.404
  165    HD1  TYR  21           HD1      TYR  21  37.171  -1.218   3.538
  166    HD2  TYR  21           HD2      TYR  21  33.068  -2.466   3.865
  167    HE1  TYR  21           HE1      TYR  21  37.910  -3.490   4.182
  168    HE2  TYR  21           HE2      TYR  21  33.814  -4.740   4.507
  169    HH   TYR  21           HH       TYR  21  35.904  -5.774   5.551
  170    H    ALA  22           HN       ALA  22  33.244   0.607   6.386
  171    HA   ALA  22           HA       ALA  22  31.292   1.743   7.011
  172    HB1  ALA  22           HB1      ALA  22  31.444   4.258   6.608
  173    HB2  ALA  22           HB2      ALA  22  32.983   3.946   5.803
  174    HB3  ALA  22           HB3      ALA  22  32.782   3.545   7.509
  175    H    LEU  23           HN       LEU  23  32.110   3.393   3.998
  176    HA   LEU  23           HA       LEU  23  30.412   2.210   2.183
  177    HB2  LEU  23           HB2      LEU  23  28.850   3.647   4.160
  178    HB3  LEU  23           HB1      LEU  23  28.682   4.429   2.585
  179    HG   LEU  23           HG       LEU  23  28.381   1.439   2.971
  180   HD11  LEU  23          HD11      LEU  23  26.698   2.916   4.241
  181   HD12  LEU  23          HD12      LEU  23  26.037   1.717   3.126
  182   HD13  LEU  23          HD13      LEU  23  26.127   3.411   2.648
  183   HD21  LEU  23          HD21      LEU  23  27.478   3.317   0.764
  184   HD22  LEU  23          HD22      LEU  23  27.315   1.560   0.772
  185   HD23  LEU  23          HD23      LEU  23  28.915   2.298   0.682
  186    H    ARG  24           HN       ARG  24  30.913   5.468   3.475
  187    HA   ARG  24           HA       ARG  24  31.404   6.844   1.031
  188    HB2  ARG  24           HB2      ARG  24  32.983   8.260   2.516
  189    HB3  ARG  24           HB1      ARG  24  31.284   8.201   2.977
  190    HG2  ARG  24           HG2      ARG  24  31.958   7.510   5.017
  191    HG3  ARG  24           HG1      ARG  24  32.429   5.988   4.269
  192    HD2  ARG  24           HD2      ARG  24  34.664   7.021   3.729
  193    HD3  ARG  24           HD1      ARG  24  34.186   8.422   4.688
  194    HE   ARG  24           HE       ARG  24  35.044   5.851   5.739
  195   HH11  ARG  24          HH21      ARG  24  33.037   8.624   6.214
  196   HH12  ARG  24          HH22      ARG  24  32.928   8.424   7.930
  197   HH21  ARG  24          HH11      ARG  24  34.924   5.582   7.990
  198   HH22  ARG  24          HH12      ARG  24  33.999   6.698   8.941
  199    H    SER  25           HN       SER  25  33.462   4.796   3.042
  200    HA   SER  25           HA       SER  25  35.734   5.232   1.205
  201    HB2  SER  25           HB2      SER  25  36.490   3.363   3.134
  202    HB3  SER  25           HB1      SER  25  36.836   5.096   3.160
  203    HG   SER  25           HG       SER  25  35.588   3.993   4.995
  204    H    LYS  26           HN       LYS  26  33.106   3.359   0.956
  205    HA   LYS  26           HA       LYS  26  34.203   0.725   0.505
  206    HB2  LYS  26           HB2      LYS  26  31.716   2.164  -0.303
  207    HB3  LYS  26           HB1      LYS  26  32.200   0.795  -1.308
  208    HG2  LYS  26           HG2      LYS  26  32.374   0.359   1.610
  209    HG3  LYS  26           HG1      LYS  26  30.737   0.532   0.973
  210    HD2  LYS  26           HD2      LYS  26  30.969  -1.350  -0.430
  211    HD3  LYS  26           HD1      LYS  26  32.736  -1.301  -0.347
  212    HE2  LYS  26           HE2      LYS  26  32.412  -2.968   1.195
  213    HE3  LYS  26           HE1      LYS  26  32.189  -1.605   2.273
  214    HZ1  LYS  26           HZ1      LYS  26  30.381  -3.167   2.519
  215    HZ2  LYS  26           HZ2      LYS  26  30.023  -3.049   0.857
  216    HZ3  LYS  26           HZ3      LYS  26  29.806  -1.699   1.877
  217    H    ASP  27           HN       ASP  27  33.872   3.635  -1.407
  218    HA   ASP  27           HA       ASP  27  34.760   2.888  -3.942
  219    HB2  ASP  27           HB2      ASP  27  34.313   5.239  -2.768
  220    HB3  ASP  27           HB1      ASP  27  36.070   5.216  -2.614
  221    H    LEU  28           HN       LEU  28  36.616   3.254  -0.953
  222    HA   LEU  28           HA       LEU  28  39.147   2.499  -2.217
  223    HB2  LEU  28           HB2      LEU  28  38.223   2.928   0.621
  224    HB3  LEU  28           HB1      LEU  28  39.737   2.074   0.310
  225    HG   LEU  28           HG       LEU  28  40.434   4.020  -1.150
  226   HD11  LEU  28          HD11      LEU  28  38.253   4.984  -1.625
  227   HD12  LEU  28          HD12      LEU  28  39.204   6.167  -0.732
  228   HD13  LEU  28          HD13      LEU  28  37.950   5.245   0.094
  229   HD21  LEU  28          HD21      LEU  28  41.136   5.384   0.710
  230   HD22  LEU  28          HD22      LEU  28  41.115   3.710   1.266
  231   HD23  LEU  28          HD23      LEU  28  39.804   4.802   1.709
  232    H    ARG  29           HN       ARG  29  37.633   0.853   0.537
  233    HA   ARG  29           HA       ARG  29  38.065  -1.584   0.835
  234    HB2  ARG  29           HB2      ARG  29  35.774  -1.218   1.164
  235    HB3  ARG  29           HB1      ARG  29  35.502  -0.764  -0.513
  236    HG2  ARG  29           HG2      ARG  29  34.537  -2.932  -0.240
  237    HG3  ARG  29           HG1      ARG  29  36.038  -3.186  -1.122
  238    HD2  ARG  29           HD2      ARG  29  37.062  -3.500   1.287
  239    HD3  ARG  29           HD1      ARG  29  35.386  -3.829   1.739
  240    HE   ARG  29           HE       ARG  29  35.879  -5.393  -0.544
  241   HH11  ARG  29          HH21      ARG  29  37.114  -5.029   2.676
  242   HH12  ARG  29          HH22      ARG  29  37.581  -6.688   2.826
  243   HH21  ARG  29          HH11      ARG  29  36.471  -7.554  -0.353
  244   HH22  ARG  29          HH12      ARG  29  37.210  -8.119   1.106
  245    H    HIS  30           HN       HIS  30  36.510  -1.430  -2.372
  246    HA   HIS  30           HA       HIS  30  38.087  -3.707  -3.264
  247    HB2  HIS  30           HB2      HIS  30  36.973  -3.293  -5.465
  248    HB3  HIS  30           HB1      HIS  30  35.844  -3.522  -4.123
  249    HD1  HIS  30           HD1      HIS  30  36.558  -1.274  -6.855
  250    HD2  HIS  30           HD2      HIS  30  34.972  -0.778  -3.009
  251    HE1  HIS  30           HE1      HIS  30  35.382   0.967  -6.837
  252    HE2  HIS  30           HE2      HIS  30  34.397   1.263  -4.517
  253    H    ALA  31           HN       ALA  31  37.844  -0.338  -4.515
  254    HA   ALA  31           HA       ALA  31  40.086  -0.390  -6.223
  255    HB1  ALA  31           HB1      ALA  31  39.408   1.944  -4.410
  256    HB2  ALA  31           HB2      ALA  31  38.475   1.560  -5.856
  257    HB3  ALA  31           HB3      ALA  31  40.176   2.005  -5.996
  258    H    PHE  32           HN       PHE  32  39.906  -0.500  -2.792
  259    HA   PHE  32           HA       PHE  32  42.730   0.090  -2.358
  260    HB2  PHE  32           HB2      PHE  32  41.234   0.540  -0.547
  261    HB3  PHE  32           HB1      PHE  32  40.512  -1.053  -0.678
  262    HD1  PHE  32           HD1      PHE  32  44.061   0.130  -0.565
  263    HD2  PHE  32           HD2      PHE  32  41.021  -2.300   1.239
  264    HE1  PHE  32           HE1      PHE  32  45.719  -0.718   1.070
  265    HE2  PHE  32           HE2      PHE  32  42.677  -3.150   2.878
  266    HZ   PHE  32           HZ       PHE  32  45.028  -2.362   2.793
  267    H    ARG  33           HN       ARG  33  40.637  -2.779  -2.225
  268    HA   ARG  33           HA       ARG  33  42.928  -4.620  -2.322
  269    HB2  ARG  33           HB2      ARG  33  39.933  -5.062  -2.419
  270    HB3  ARG  33           HB1      ARG  33  41.131  -6.357  -2.344
  271    HG2  ARG  33           HG2      ARG  33  41.295  -4.165  -0.324
  272    HG3  ARG  33           HG1      ARG  33  40.014  -5.366  -0.129
  273    HD2  ARG  33           HD2      ARG  33  41.819  -7.155  -0.388
  274    HD3  ARG  33           HD1      ARG  33  43.004  -5.860  -0.252
  275    HE   ARG  33           HE       ARG  33  42.382  -5.566   2.054
  276   HH11  ARG  33          HH21      ARG  33  40.519  -7.958   0.372
  277   HH12  ARG  33          HH22      ARG  33  39.913  -8.691   1.819
  278   HH21  ARG  33          HH11      ARG  33  41.578  -6.514   3.946
  279   HH22  ARG  33          HH12      ARG  33  40.501  -7.866   3.837
  280    H    SER  34           HN       SER  34  42.679  -2.820  -4.579
  281    HA   SER  34           HA       SER  34  42.814  -4.731  -6.736
  282    HB2  SER  34           HB2      SER  34  40.296  -3.163  -6.305
  283    HB3  SER  34           HB1      SER  34  40.801  -3.593  -7.941
  284    HG   SER  34           HG       SER  34  40.773  -5.523  -5.883
  285    H    MET  35           HN       MET  35  42.257  -1.331  -5.857
  286    HA   MET  35           HA       MET  35  43.780  -0.478  -8.270
  287    HB2  MET  35           HB2      MET  35  42.012   1.077  -6.345
  288    HB3  MET  35           HB1      MET  35  42.901   1.804  -7.689
  289    HG2  MET  35           HG2      MET  35  41.033  -0.522  -8.144
  290    HG3  MET  35           HG1      MET  35  40.428   1.141  -8.105
  291    HE1  MET  35           HE1      MET  35  42.904  -1.388  -9.929
  292    HE2  MET  35           HE2      MET  35  42.205  -1.063 -11.514
  293    HE3  MET  35           HE3      MET  35  41.158  -1.526 -10.174
  294    H    PHE  36           HN       PHE  36  43.840  -0.400  -4.754
  295    HA   PHE  36           HA       PHE  36  45.729   1.654  -4.406
  296    HB2  PHE  36           HB2      PHE  36  44.496  -0.245  -2.742
  297    HB3  PHE  36           HB1      PHE  36  46.224  -0.469  -2.500
  298    HD1  PHE  36           HD1      PHE  36  43.937   2.463  -3.102
  299    HD2  PHE  36           HD2      PHE  36  47.085   0.763  -0.716
  300    HE1  PHE  36           HE1      PHE  36  44.019   4.529  -1.733
  301    HE2  PHE  36           HE2      PHE  36  47.161   2.830   0.650
  302    HZ   PHE  36           HZ       PHE  36  45.630   4.712   0.140
  303    HA   PRO  37           HA       PRO  37  49.361  -0.528  -6.002
  304    HB2  PRO  37           HB2      PRO  37  50.856   1.638  -6.444
  305    HB3  PRO  37           HB1      PRO  37  49.440   1.330  -7.477
  306    HG2  PRO  37           HG2      PRO  37  49.682   3.157  -5.120
  307    HG3  PRO  37           HG1      PRO  37  48.988   3.465  -6.705
  308    HD2  PRO  37           HD2      PRO  37  47.465   2.793  -4.527
  309    HD3  PRO  37           HD1      PRO  37  46.984   2.420  -6.203
  310    H    SER  38           HN       SER  38  48.807   1.571  -3.339
  311    HA   SER  38           HA       SER  38  49.798   1.595  -1.200
  312    HB2  SER  38           HB2      SER  38  50.577  -0.816  -2.298
  313    HB3  SER  38           HB1      SER  38  52.117  -0.071  -1.838
  314    HG   SER  38           HG       SER  38  51.082  -1.312  -0.139
  315    H    ALA  39           HN       ALA  39  51.043   2.556  -4.096
  316    HA   ALA  39           HA       ALA  39  53.340   4.018  -2.873
  317    HB1  ALA  39           HB1      ALA  39  53.789   2.875  -5.043
  318    HB2  ALA  39           HB2      ALA  39  53.936   4.626  -5.186
  319    HB3  ALA  39           HB3      ALA  39  52.493   3.810  -5.789
  320    H    GLU  40           HN       GLU  40  53.373   6.412  -3.552
  321    HA   GLU  40           HA       GLU  40  50.571   7.459  -3.645
  322    HB2  GLU  40           HB2      GLU  40  52.935   8.500  -2.054
  323    HB3  GLU  40           HB1      GLU  40  51.392   9.339  -2.209
  324    HG2  GLU  40           HG2      GLU  40  50.283   7.846  -0.858
  325    HG3  GLU  40           HG1      GLU  40  51.281   6.485  -1.364
  Start of MODEL   11
    1    H1   THR   1           HT1      THR   1  18.538  10.753  -5.825
    2    H2   THR   1           HT2      THR   1  20.005  10.689  -6.675
    3    H3   THR   1           HT3      THR   1  19.998  10.605  -4.981
    4    HA   THR   1           HA       THR   1  18.462   8.596  -6.415
    5    HB   THR   1           HB       THR   1  21.258   7.805  -6.082
    6    HG1  THR   1           HG1      THR   1  21.916   9.743  -6.752
    7   HG21  THR   1          HG21      THR   1  19.373   6.657  -7.378
    8   HG22  THR   1          HG22      THR   1  20.910   6.812  -8.227
    9   HG23  THR   1          HG23      THR   1  19.583   7.910  -8.600
   10    H    VAL   2           HN       VAL   2  18.203   9.694  -3.809
   11    HA   VAL   2           HA       VAL   2  19.650   8.384  -1.762
   12    HB   VAL   2           HB       VAL   2  16.677   8.961  -1.614
   13   HG11  VAL   2          HG11      VAL   2  17.279   8.048   0.430
   14   HG12  VAL   2          HG12      VAL   2  17.657   9.744   0.737
   15   HG13  VAL   2          HG13      VAL   2  18.945   8.617   0.314
   16   HG21  VAL   2          HG21      VAL   2  17.637  11.257  -0.730
   17   HG22  VAL   2          HG22      VAL   2  17.428  11.009  -2.463
   18   HG23  VAL   2          HG23      VAL   2  19.025  10.840  -1.735
   19    H    PHE   3           HN       PHE   3  16.754   7.335  -3.548
   20    HA   PHE   3           HA       PHE   3  16.277   4.906  -2.164
   21    HB2  PHE   3           HB2      PHE   3  14.601   5.426  -3.706
   22    HB3  PHE   3           HB1      PHE   3  15.755   5.860  -4.969
   23    HD1  PHE   3           HD1      PHE   3  14.228   3.022  -3.123
   24    HD2  PHE   3           HD2      PHE   3  16.635   4.222  -6.471
   25    HE1  PHE   3           HE1      PHE   3  14.060   0.733  -4.061
   26    HE2  PHE   3           HE2      PHE   3  16.470   1.935  -7.411
   27    HZ   PHE   3           HZ       PHE   3  15.184   0.187  -6.208
   28    H    ALA   4           HN       ALA   4  18.383   5.552  -4.980
   29    HA   ALA   4           HA       ALA   4  19.429   2.921  -5.281
   30    HB1  ALA   4           HB1      ALA   4  19.931   4.648  -6.934
   31    HB2  ALA   4           HB2      ALA   4  21.445   4.060  -6.252
   32    HB3  ALA   4           HB3      ALA   4  20.784   5.606  -5.724
   33    H    PHE   5           HN       PHE   5  20.319   5.585  -3.126
   34    HA   PHE   5           HA       PHE   5  22.579   4.284  -1.905
   35    HB2  PHE   5           HB2      PHE   5  21.379   6.765  -1.641
   36    HB3  PHE   5           HB1      PHE   5  20.968   5.979  -0.116
   37    HD1  PHE   5           HD1      PHE   5  23.817   6.782  -2.385
   38    HD2  PHE   5           HD2      PHE   5  22.600   5.694   1.592
   39    HE1  PHE   5           HE1      PHE   5  26.126   7.163  -1.573
   40    HE2  PHE   5           HE2      PHE   5  24.914   6.079   2.403
   41    HZ   PHE   5           HZ       PHE   5  26.678   6.812   0.819
   42    H    ALA   6           HN       ALA   6  19.159   4.527  -0.877
   43    HA   ALA   6           HA       ALA   6  19.258   2.850   1.368
   44    HB1  ALA   6           HB1      ALA   6  17.221   4.082   0.413
   45    HB2  ALA   6           HB2      ALA   6  16.915   2.470   1.060
   46    HB3  ALA   6           HB3      ALA   6  17.034   2.713  -0.682
   47    H    SER   7           HN       SER   7  19.183   1.989  -2.061
   48    HA   SER   7           HA       SER   7  18.966  -0.867  -1.622
   49    HB2  SER   7           HB2      SER   7  19.911   0.790  -3.970
   50    HB3  SER   7           HB1      SER   7  19.812  -0.974  -4.012
   51    HG   SER   7           HG       SER   7  17.755   0.952  -3.757
   52    H    MET   8           HN       MET   8  21.749   1.143  -2.682
   53    HA   MET   8           HA       MET   8  23.756  -0.830  -2.432
   54    HB2  MET   8           HB2      MET   8  23.699   2.151  -2.278
   55    HB3  MET   8           HB1      MET   8  25.139   1.347  -1.654
   56    HG2  MET   8           HG2      MET   8  25.370   0.121  -3.798
   57    HG3  MET   8           HG1      MET   8  23.954   0.979  -4.424
   58    HE1  MET   8           HE1      MET   8  23.668   3.408  -4.238
   59    HE2  MET   8           HE2      MET   8  24.911   4.603  -4.604
   60    HE3  MET   8           HE3      MET   8  24.677   4.066  -2.943
   61    H    LEU   9           HN       LEU   9  22.541   1.444  -0.016
   62    HA   LEU   9           HA       LEU   9  24.053   0.932   2.210
   63    HB2  LEU   9           HB2      LEU   9  21.543   2.043   1.713
   64    HB3  LEU   9           HB1      LEU   9  21.207   0.745   2.855
   65    HG   LEU   9           HG       LEU   9  23.296   2.915   3.226
   66   HD11  LEU   9          HD11      LEU   9  21.034   3.811   3.438
   67   HD12  LEU   9          HD12      LEU   9  21.766   3.684   5.036
   68   HD13  LEU   9          HD13      LEU   9  20.581   2.487   4.513
   69   HD21  LEU   9          HD21      LEU   9  23.987   0.888   4.355
   70   HD22  LEU   9          HD22      LEU   9  22.362   0.625   4.989
   71   HD23  LEU   9          HD23      LEU   9  23.332   1.976   5.577
   72    H    CYS  10           HN       CYS  10  21.176  -1.006   1.328
   73    HA   CYS  10           HA       CYS  10  21.750  -3.051   3.280
   74    HB2  CYS  10           HB2      CYS  10  19.731  -2.550   1.219
   75    HB3  CYS  10           HB1      CYS  10  20.164  -4.259   1.336
   76    HG   CYS  10           HG       CYS  10  18.879  -2.582   3.615
   77    H    LEU  11           HN       LEU  11  21.946  -3.148  -0.294
   78    HA   LEU  11           HA       LEU  11  23.076  -5.668  -0.593
   79    HB2  LEU  11           HB2      LEU  11  23.235  -3.133  -2.144
   80    HB3  LEU  11           HB1      LEU  11  24.414  -4.379  -2.547
   81    HG   LEU  11           HG       LEU  11  21.619  -5.323  -2.216
   82   HD11  LEU  11          HD11      LEU  11  21.014  -4.574  -4.516
   83   HD12  LEU  11          HD12      LEU  11  22.471  -3.581  -4.550
   84   HD13  LEU  11          HD13      LEU  11  21.189  -3.229  -3.389
   85   HD21  LEU  11          HD21      LEU  11  23.675  -6.662  -2.964
   86   HD22  LEU  11          HD22      LEU  11  23.588  -5.761  -4.477
   87   HD23  LEU  11          HD23      LEU  11  22.248  -6.797  -3.990
   88    H    LEU  12           HN       LEU  12  24.871  -2.637  -0.079
   89    HA   LEU  12           HA       LEU  12  27.463  -3.878  -0.019
   90    HB2  LEU  12           HB2      LEU  12  26.329  -1.205   0.698
   91    HB3  LEU  12           HB1      LEU  12  27.907  -1.621   1.358
   92    HG   LEU  12           HG       LEU  12  28.043  -0.420  -0.838
   93   HD11  LEU  12          HD11      LEU  12  29.381  -2.800  -0.025
   94   HD12  LEU  12          HD12      LEU  12  29.988  -1.520  -1.076
   95   HD13  LEU  12          HD13      LEU  12  29.141  -2.903  -1.770
   96   HD21  LEU  12          HD21      LEU  12  27.204  -1.354  -2.827
   97   HD22  LEU  12          HD22      LEU  12  25.908  -1.652  -1.670
   98   HD23  LEU  12          HD23      LEU  12  27.016  -2.953  -2.109
   99    H    ASN  13           HN       ASN  13  25.190  -2.836   2.504
  100    HA   ASN  13           HA       ASN  13  26.869  -3.466   4.717
  101    HB2  ASN  13           HB2      ASN  13  23.910  -3.139   4.347
  102    HB3  ASN  13           HB1      ASN  13  24.511  -3.816   5.852
  103   HD21  ASN  13          HD21      ASN  13  26.475  -1.598   4.050
  104   HD22  ASN  13          HD22      ASN  13  26.311  -0.253   5.107
  105    H    SER  14           HN       SER  14  24.478  -5.397   2.981
  106    HA   SER  14           HA       SER  14  24.539  -7.537   4.799
  107    HB2  SER  14           HB2      SER  14  23.304  -6.977   2.270
  108    HB3  SER  14           HB1      SER  14  23.989  -8.599   2.206
  109    HG   SER  14           HG       SER  14  22.675  -7.932   4.562
  110    H    THR  15           HN       THR  15  26.779  -6.683   2.284
  111    HA   THR  15           HA       THR  15  28.047  -9.358   2.443
  112    HB   THR  15           HB       THR  15  27.966  -8.524   0.201
  113    HG1  THR  15           HG1      THR  15  30.067  -9.306   1.154
  114   HG21  THR  15          HG21      THR  15  27.576  -6.145   0.748
  115   HG22  THR  15          HG22      THR  15  28.861  -6.330  -0.440
  116   HG23  THR  15          HG23      THR  15  29.263  -5.988   1.240
  117    H    VAL  16           HN       VAL  16  28.838  -5.944   3.054
  118    HA   VAL  16           HA       VAL  16  30.274  -6.509   5.465
  119    HB   VAL  16           HB       VAL  16  32.501  -5.590   4.226
  120   HG11  VAL  16          HG11      VAL  16  33.331  -7.431   5.198
  121   HG12  VAL  16          HG12      VAL  16  32.519  -8.466   4.025
  122   HG13  VAL  16          HG13      VAL  16  31.678  -7.968   5.494
  123   HG21  VAL  16          HG21      VAL  16  31.187  -5.993   2.012
  124   HG22  VAL  16          HG22      VAL  16  31.540  -7.695   2.304
  125   HG23  VAL  16          HG23      VAL  16  32.858  -6.542   2.112
  126    H    ASN  17           HN       ASN  17  29.751  -4.642   6.482
  127    HA   ASN  17           HA       ASN  17  30.970  -2.251   5.553
  128    HB2  ASN  17           HB2      ASN  17  28.600  -2.610   4.251
  129    HB3  ASN  17           HB1      ASN  17  28.091  -1.642   5.641
  130   HD21  ASN  17          HD21      ASN  17  30.857  -0.492   5.860
  131   HD22  ASN  17          HD22      ASN  17  30.930   0.699   4.635
  132    HA   PRO  18           HA       PRO  18  28.363  -1.284   9.539
  133    HB2  PRO  18           HB2      PRO  18  27.744  -4.059  10.386
  134    HB3  PRO  18           HB1      PRO  18  26.725  -2.608  10.473
  135    HG2  PRO  18           HG2      PRO  18  26.283  -4.561   8.694
  136    HG3  PRO  18           HG1      PRO  18  25.955  -2.853   8.329
  137    HD2  PRO  18           HD2      PRO  18  28.192  -4.593   7.384
  138    HD3  PRO  18           HD1      PRO  18  27.400  -3.235   6.561
  139    H    ILE  19           HN       ILE  19  30.692  -3.458   8.725
  140    HA   ILE  19           HA       ILE  19  31.687  -4.081  11.354
  141    HB   ILE  19           HB       ILE  19  33.737  -4.413   9.456
  142   HG12  ILE  19          HG12      ILE  19  31.987  -4.062   7.701
  143   HG13  ILE  19          HG11      ILE  19  32.700  -5.671   7.662
  144   HG21  ILE  19          HG21      ILE  19  33.146  -6.855   9.763
  145   HG22  ILE  19          HG22      ILE  19  31.749  -6.321  10.698
  146   HG23  ILE  19          HG23      ILE  19  33.382  -5.957  11.262
  147   HD11  ILE  19          HD11      ILE  19  30.532  -5.840   9.464
  148   HD12  ILE  19          HD12      ILE  19  30.641  -6.547   7.854
  149   HD13  ILE  19          HD13      ILE  19  29.939  -4.946   8.068
  150    H    ILE  20           HN       ILE  20  33.421  -2.476   8.704
  151    HA   ILE  20           HA       ILE  20  34.465  -0.523  10.725
  152    HB   ILE  20           HB       ILE  20  36.118  -1.413   8.373
  153   HG12  ILE  20          HG12      ILE  20  36.926  -2.869  10.687
  154   HG13  ILE  20          HG11      ILE  20  35.209  -3.177  10.460
  155   HG21  ILE  20          HG21      ILE  20  36.757  -0.471  11.186
  156   HG22  ILE  20          HG22      ILE  20  36.882   0.486   9.710
  157   HG23  ILE  20          HG23      ILE  20  37.954  -0.892   9.960
  158   HD11  ILE  20          HD11      ILE  20  35.637  -3.780   8.098
  159   HD12  ILE  20          HD12      ILE  20  36.564  -4.801   9.198
  160   HD13  ILE  20          HD13      ILE  20  37.356  -3.478   8.344
  161    H    TYR  21           HN       TYR  21  34.440  -1.030   7.192
  162    HA   TYR  21           HA       TYR  21  34.632   1.764   6.606
  163    HB2  TYR  21           HB2      TYR  21  33.471  -0.121   4.600
  164    HB3  TYR  21           HB1      TYR  21  34.711   1.114   4.395
  165    HD1  TYR  21           HD2      TYR  21  37.017   0.718   5.399
  166    HD2  TYR  21           HD1      TYR  21  34.068  -2.388   5.058
  167    HE1  TYR  21           HE2      TYR  21  38.785  -0.994   5.690
  168    HE2  TYR  21           HE1      TYR  21  35.837  -4.099   5.347
  169    HH   TYR  21           HH       TYR  21  37.993  -4.437   5.944
  170    H    ALA  22           HN       ALA  22  32.430   1.188   8.379
  171    HA   ALA  22           HA       ALA  22  29.935   1.090   8.186
  172    HB1  ALA  22           HB1      ALA  22  31.232   3.803   8.416
  173    HB2  ALA  22           HB2      ALA  22  30.648   2.759   9.713
  174    HB3  ALA  22           HB3      ALA  22  29.500   3.566   8.645
  175    H    LEU  23           HN       LEU  23  31.041   3.886   6.257
  176    HA   LEU  23           HA       LEU  23  29.754   3.012   3.825
  177    HB2  LEU  23           HB2      LEU  23  28.183   4.619   5.774
  178    HB3  LEU  23           HB1      LEU  23  28.129   5.182   4.101
  179    HG   LEU  23           HG       LEU  23  27.850   2.262   4.399
  180   HD11  LEU  23          HD11      LEU  23  25.491   2.404   5.155
  181   HD12  LEU  23          HD12      LEU  23  25.701   4.129   5.451
  182   HD13  LEU  23          HD13      LEU  23  26.612   2.953   6.400
  183   HD21  LEU  23          HD21      LEU  23  26.415   2.511   2.576
  184   HD22  LEU  23          HD22      LEU  23  27.486   3.896   2.358
  185   HD23  LEU  23          HD23      LEU  23  25.890   4.119   3.075
  186    H    ARG  24           HN       ARG  24  30.263   6.061   5.602
  187    HA   ARG  24           HA       ARG  24  31.392   7.418   3.298
  188    HB2  ARG  24           HB2      ARG  24  32.236   8.965   5.321
  189    HB3  ARG  24           HB1      ARG  24  30.566   9.008   4.757
  190    HG2  ARG  24           HG2      ARG  24  29.784   7.729   6.561
  191    HG3  ARG  24           HG1      ARG  24  31.381   7.059   6.903
  192    HD2  ARG  24           HD2      ARG  24  30.942  10.019   7.142
  193    HD3  ARG  24           HD1      ARG  24  30.411   8.953   8.445
  194    HE   ARG  24           HE       ARG  24  33.002   8.126   7.994
  195   HH11  ARG  24          HH21      ARG  24  31.461  11.187   8.528
  196   HH12  ARG  24          HH22      ARG  24  32.828  11.882   9.331
  197   HH21  ARG  24          HH11      ARG  24  34.791   9.030   9.032
  198   HH22  ARG  24          HH12      ARG  24  34.715  10.658   9.614
  199    H    SER  25           HN       SER  25  32.671   5.065   3.485
  200    HA   SER  25           HA       SER  25  35.450   5.818   3.770
  201    HB2  SER  25           HB2      SER  25  35.780   3.843   5.486
  202    HB3  SER  25           HB1      SER  25  35.341   5.453   6.072
  203    HG   SER  25           HG       SER  25  33.563   4.611   6.798
  204    H    LYS  26           HN       LYS  26  32.980   3.323   3.421
  205    HA   LYS  26           HA       LYS  26  34.370   1.149   2.399
  206    HB2  LYS  26           HB2      LYS  26  31.699   2.298   1.992
  207    HB3  LYS  26           HB1      LYS  26  32.288   1.450   0.564
  208    HG2  LYS  26           HG2      LYS  26  32.167   0.297   3.362
  209    HG3  LYS  26           HG1      LYS  26  31.047  -0.062   2.060
  210    HD2  LYS  26           HD2      LYS  26  32.843  -1.029   0.716
  211    HD3  LYS  26           HD1      LYS  26  34.028  -0.596   1.952
  212    HE2  LYS  26           HE2      LYS  26  33.627  -2.747   2.639
  213    HE3  LYS  26           HE1      LYS  26  32.313  -1.953   3.505
  214    HZ1  LYS  26           HZ1      LYS  26  32.211  -3.647   1.128
  215    HZ2  LYS  26           HZ2      LYS  26  31.113  -2.356   1.203
  216    HZ3  LYS  26           HZ3      LYS  26  31.129  -3.535   2.434
  217    H    ASP  27           HN       ASP  27  33.745   4.262   0.893
  218    HA   ASP  27           HA       ASP  27  34.536   3.749  -1.760
  219    HB2  ASP  27           HB2      ASP  27  33.703   5.942  -1.042
  220    HB3  ASP  27           HB1      ASP  27  35.151   6.179  -0.054
  221    H    LEU  28           HN       LEU  28  36.600   4.648   0.996
  222    HA   LEU  28           HA       LEU  28  39.075   4.374  -0.448
  223    HB2  LEU  28           HB2      LEU  28  38.912   5.686   1.628
  224    HB3  LEU  28           HB1      LEU  28  38.500   4.228   2.534
  225    HG   LEU  28           HG       LEU  28  40.686   3.255   2.026
  226   HD11  LEU  28          HD11      LEU  28  40.957   5.732   0.325
  227   HD12  LEU  28          HD12      LEU  28  41.269   4.052  -0.114
  228   HD13  LEU  28          HD13      LEU  28  42.384   4.907   0.950
  229   HD21  LEU  28          HD21      LEU  28  40.878   6.114   3.026
  230   HD22  LEU  28          HD22      LEU  28  42.117   4.880   3.250
  231   HD23  LEU  28          HD23      LEU  28  40.539   4.691   4.010
  232    H    ARG  29           HN       ARG  29  36.875   2.075   0.790
  233    HA   ARG  29           HA       ARG  29  38.900   0.023   1.268
  234    HB2  ARG  29           HB2      ARG  29  37.088  -0.210   2.698
  235    HB3  ARG  29           HB1      ARG  29  35.904   0.124   1.436
  236    HG2  ARG  29           HG2      ARG  29  35.672  -2.191   1.680
  237    HG3  ARG  29           HG1      ARG  29  36.842  -2.112   0.369
  238    HD2  ARG  29           HD2      ARG  29  37.558  -2.379   3.297
  239    HD3  ARG  29           HD1      ARG  29  37.499  -3.728   2.162
  240    HE   ARG  29           HE       ARG  29  39.224  -1.871   0.990
  241   HH11  ARG  29          HH21      ARG  29  38.943  -3.562   4.003
  242   HH12  ARG  29          HH22      ARG  29  40.649  -3.630   4.271
  243   HH21  ARG  29          HH11      ARG  29  41.474  -1.958   1.354
  244   HH22  ARG  29          HH12      ARG  29  42.081  -2.740   2.772
  245    H    HIS  30           HN       HIS  30  36.043   0.077  -0.908
  246    HA   HIS  30           HA       HIS  30  37.200  -2.057  -2.482
  247    HB2  HIS  30           HB2      HIS  30  35.314  -1.730  -4.016
  248    HB3  HIS  30           HB1      HIS  30  34.752  -1.771  -2.342
  249    HD1  HIS  30           HD1      HIS  30  35.246   0.556  -5.257
  250    HD2  HIS  30           HD2      HIS  30  33.685   0.689  -1.383
  251    HE1  HIS  30           HE1      HIS  30  33.991   2.755  -5.056
  252    HE2  HIS  30           HE2      HIS  30  33.036   2.845  -2.710
  253    H    ALA  31           HN       ALA  31  36.556   1.392  -3.268
  254    HA   ALA  31           HA       ALA  31  37.864   1.591  -5.717
  255    HB1  ALA  31           HB1      ALA  31  38.136   3.879  -5.297
  256    HB2  ALA  31           HB2      ALA  31  38.498   3.625  -3.592
  257    HB3  ALA  31           HB3      ALA  31  36.842   3.469  -4.173
  258    H    PHE  32           HN       PHE  32  39.326   1.508  -2.485
  259    HA   PHE  32           HA       PHE  32  42.065   1.524  -3.420
  260    HB2  PHE  32           HB2      PHE  32  41.408   2.016  -1.102
  261    HB3  PHE  32           HB1      PHE  32  40.832   0.372  -0.928
  262    HD1  PHE  32           HD2      PHE  32  43.853   2.451  -1.511
  263    HD2  PHE  32           HD1      PHE  32  42.323  -1.408  -0.455
  264    HE1  PHE  32           HE2      PHE  32  46.141   1.721  -0.892
  265    HE2  PHE  32           HE1      PHE  32  44.609  -2.149   0.166
  266    HZ   PHE  32           HZ       PHE  32  46.518  -0.582  -0.049
  267    H    ARG  33           HN       ARG  33  40.199  -1.175  -2.011
  268    HA   ARG  33           HA       ARG  33  41.877  -3.203  -3.189
  269    HB2  ARG  33           HB2      ARG  33  39.051  -3.454  -2.123
  270    HB3  ARG  33           HB1      ARG  33  40.207  -4.768  -2.339
  271    HG2  ARG  33           HG2      ARG  33  40.790  -2.369  -0.614
  272    HG3  ARG  33           HG1      ARG  33  39.992  -3.800   0.030
  273    HD2  ARG  33           HD2      ARG  33  42.822  -3.389  -0.607
  274    HD3  ARG  33           HD1      ARG  33  42.075  -4.623   0.399
  275    HE   ARG  33           HE       ARG  33  42.766  -4.886  -2.450
  276   HH11  ARG  33          HH21      ARG  33  40.862  -5.995   0.214
  277   HH12  ARG  33          HH22      ARG  33  40.713  -7.609  -0.392
  278   HH21  ARG  33          HH11      ARG  33  42.568  -6.980  -3.262
  279   HH22  ARG  33          HH12      ARG  33  41.687  -8.170  -2.366
  280    H    SER  34           HN       SER  34  41.274  -1.594  -5.261
  281    HA   SER  34           HA       SER  34  40.204  -3.388  -7.205
  282    HB2  SER  34           HB2      SER  34  38.345  -1.282  -6.125
  283    HB3  SER  34           HB1      SER  34  38.210  -1.825  -7.800
  284    HG   SER  34           HG       SER  34  38.388  -3.685  -5.680
  285    H    MET  35           HN       MET  35  40.959  -0.118  -6.211
  286    HA   MET  35           HA       MET  35  41.895   0.492  -8.987
  287    HB2  MET  35           HB2      MET  35  40.966   2.422  -6.822
  288    HB3  MET  35           HB1      MET  35  41.494   2.865  -8.456
  289    HG2  MET  35           HG2      MET  35  39.519   0.870  -8.802
  290    HG3  MET  35           HG1      MET  35  38.885   1.974  -7.574
  291    HE1  MET  35           HE1      MET  35  37.199   3.689  -8.529
  292    HE2  MET  35           HE2      MET  35  38.015   5.102  -9.194
  293    HE3  MET  35           HE3      MET  35  38.633   4.349  -7.727
  294    H    PHE  36           HN       PHE  36  42.474   1.390  -5.562
  295    HA   PHE  36           HA       PHE  36  45.074   2.425  -6.092
  296    HB2  PHE  36           HB2      PHE  36  43.492   2.532  -3.920
  297    HB3  PHE  36           HB1      PHE  36  44.627   1.278  -3.403
  298    HD1  PHE  36           HD2      PHE  36  44.299   4.795  -4.532
  299    HD2  PHE  36           HD1      PHE  36  46.957   1.788  -2.995
  300    HE1  PHE  36           HE2      PHE  36  46.009   6.533  -4.082
  301    HE2  PHE  36           HE1      PHE  36  48.665   3.529  -2.546
  302    HZ   PHE  36           HZ       PHE  36  48.194   5.902  -3.089
  303    HA   PRO  37           HA       PRO  37  47.112  -1.608  -6.272
  304    HB2  PRO  37           HB2      PRO  37  49.311  -0.838  -7.532
  305    HB3  PRO  37           HB1      PRO  37  47.754  -0.709  -8.390
  306    HG2  PRO  37           HG2      PRO  37  49.264   1.423  -6.920
  307    HG3  PRO  37           HG1      PRO  37  48.585   1.464  -8.540
  308    HD2  PRO  37           HD2      PRO  37  47.268   2.483  -6.355
  309    HD3  PRO  37           HD1      PRO  37  46.416   1.847  -7.789
  310    H    SER  38           HN       SER  38  48.392   1.451  -5.104
  311    HA   SER  38           HA       SER  38  49.968   1.980  -3.458
  312    HB2  SER  38           HB2      SER  38  48.601  -0.476  -2.619
  313    HB3  SER  38           HB1      SER  38  50.187  -0.261  -1.866
  314    HG   SER  38           HG       SER  38  49.390   1.343  -0.740
  315    H    ALA  39           HN       ALA  39  50.657   0.576  -5.995
  316    HA   ALA  39           HA       ALA  39  53.128  -0.869  -5.173
  317    HB1  ALA  39           HB1      ALA  39  53.053  -2.008  -7.250
  318    HB2  ALA  39           HB2      ALA  39  51.942  -0.827  -7.943
  319    HB3  ALA  39           HB3      ALA  39  51.375  -1.954  -6.710
  320    H    GLU  40           HN       GLU  40  54.498  -0.589  -7.629
  321    HA   GLU  40           HA       GLU  40  55.464   2.184  -7.351
  322    HB2  GLU  40           HB2      GLU  40  56.947   0.066  -7.545
  323    HB3  GLU  40           HB1      GLU  40  56.537   0.104  -9.259
  324    HG2  GLU  40           HG2      GLU  40  58.486   1.381  -9.231
  325    HG3  GLU  40           HG1      GLU  40  57.250   2.627  -9.087
  Start of MODEL   12
    1    H1   THR   1           HT1      THR   1  15.437   9.874  -4.112
    2    H2   THR   1           HT2      THR   1  16.128   9.466  -2.617
    3    H3   THR   1           HT3      THR   1  14.468   9.805  -2.723
    4    HA   THR   1           HA       THR   1  13.944   7.787  -3.508
    5    HB   THR   1           HB       THR   1  16.600   7.142  -4.686
    6    HG1  THR   1           HG1      THR   1  16.386   8.574  -6.340
    7   HG21  THR   1          HG21      THR   1  14.680   5.658  -4.993
    8   HG22  THR   1          HG22      THR   1  15.122   6.372  -6.541
    9   HG23  THR   1          HG23      THR   1  13.729   6.989  -5.655
   10    H    VAL   2           HN       VAL   2  14.653   8.122  -0.953
   11    HA   VAL   2           HA       VAL   2  16.867   6.963   0.207
   12    HB   VAL   2           HB       VAL   2  15.175   6.054   1.986
   13   HG11  VAL   2          HG11      VAL   2  16.357   8.050   2.467
   14   HG12  VAL   2          HG12      VAL   2  14.660   8.499   2.627
   15   HG13  VAL   2          HG13      VAL   2  15.554   8.937   1.171
   16   HG21  VAL   2          HG21      VAL   2  13.351   6.369   0.011
   17   HG22  VAL   2          HG22      VAL   2  13.241   7.961   0.759
   18   HG23  VAL   2          HG23      VAL   2  12.939   6.516   1.717
   19    H    PHE   3           HN       PHE   3  14.198   5.245  -1.351
   20    HA   PHE   3           HA       PHE   3  14.716   2.610  -0.513
   21    HB2  PHE   3           HB2      PHE   3  14.220   3.002  -3.432
   22    HB3  PHE   3           HB1      PHE   3  13.412   1.928  -2.287
   23    HD1  PHE   3           HD1      PHE   3  12.270   3.413  -0.236
   24    HD2  PHE   3           HD2      PHE   3  12.847   4.653  -4.309
   25    HE1  PHE   3           HE1      PHE   3  10.435   5.060   0.006
   26    HE2  PHE   3           HE2      PHE   3  11.013   6.303  -4.068
   27    HZ   PHE   3           HZ       PHE   3   9.805   6.507  -1.908
   28    H    ALA   4           HN       ALA   4  16.399   4.575  -2.929
   29    HA   ALA   4           HA       ALA   4  18.192   2.494  -3.831
   30    HB1  ALA   4           HB1      ALA   4  18.594   5.507  -3.764
   31    HB2  ALA   4           HB2      ALA   4  17.864   4.606  -5.094
   32    HB3  ALA   4           HB3      ALA   4  19.563   4.362  -4.691
   33    H    PHE   5           HN       PHE   5  18.457   5.078  -1.386
   34    HA   PHE   5           HA       PHE   5  21.059   4.432  -0.422
   35    HB2  PHE   5           HB2      PHE   5  19.158   6.293   0.257
   36    HB3  PHE   5           HB1      PHE   5  19.082   5.197   1.637
   37    HD1  PHE   5           HD2      PHE   5  21.644   6.855  -0.548
   38    HD2  PHE   5           HD1      PHE   5  20.560   5.565   3.401
   39    HE1  PHE   5           HE2      PHE   5  23.724   7.857   0.349
   40    HE2  PHE   5           HE1      PHE   5  22.642   6.572   4.302
   41    HZ   PHE   5           HZ       PHE   5  24.225   7.718   2.775
   42    H    ALA   6           HN       ALA   6  17.893   3.404   0.903
   43    HA   ALA   6           HA       ALA   6  18.858   1.580   2.812
   44    HB1  ALA   6           HB1      ALA   6  16.376   1.175   1.107
   45    HB2  ALA   6           HB2      ALA   6  16.447   2.256   2.500
   46    HB3  ALA   6           HB3      ALA   6  16.673   0.521   2.718
   47    H    SER   7           HN       SER   7  18.171   1.035  -0.632
   48    HA   SER   7           HA       SER   7  18.773  -1.760  -0.646
   49    HB2  SER   7           HB2      SER   7  19.118   0.236  -2.898
   50    HB3  SER   7           HB1      SER   7  18.951  -1.519  -3.066
   51    HG   SER   7           HG       SER   7  17.042   0.386  -2.142
   52    H    MET   8           HN       MET   8  20.782   0.942  -1.847
   53    HA   MET   8           HA       MET   8  23.184  -0.480  -2.189
   54    HB2  MET   8           HB2      MET   8  22.449   2.357  -1.649
   55    HB3  MET   8           HB1      MET   8  24.120   1.906  -1.320
   56    HG2  MET   8           HG2      MET   8  24.257   0.916  -3.619
   57    HG3  MET   8           HG1      MET   8  22.626   1.536  -3.932
   58    HE1  MET   8           HE1      MET   8  24.072   2.628  -6.090
   59    HE2  MET   8           HE2      MET   8  25.542   2.013  -5.340
   60    HE3  MET   8           HE3      MET   8  25.452   3.703  -5.829
   61    H    LEU   9           HN       LEU   9  21.950   1.162   0.699
   62    HA   LEU   9           HA       LEU   9  24.079   0.608   2.458
   63    HB2  LEU   9           HB2      LEU   9  21.234   1.333   2.677
   64    HB3  LEU   9           HB1      LEU   9  21.814   0.377   4.041
   65    HG   LEU   9           HG       LEU   9  22.078   2.876   4.330
   66   HD11  LEU   9          HD11      LEU   9  23.494   1.086   5.475
   67   HD12  LEU   9          HD12      LEU   9  24.223   2.688   5.382
   68   HD13  LEU   9          HD13      LEU   9  24.735   1.423   4.267
   69   HD21  LEU   9          HD21      LEU   9  22.834   3.034   1.803
   70   HD22  LEU   9          HD22      LEU   9  24.433   2.698   2.468
   71   HD23  LEU   9          HD23      LEU   9  23.538   4.122   2.997
   72    H    CYS  10           HN       CYS  10  21.003  -1.248   2.350
   73    HA   CYS  10           HA       CYS  10  21.815  -3.455   3.846
   74    HB2  CYS  10           HB2      CYS  10  19.628  -2.863   2.225
   75    HB3  CYS  10           HB1      CYS  10  20.333  -4.291   1.462
   76    HG   CYS  10           HG       CYS  10  20.225  -4.871   4.369
   77    H    LEU  11           HN       LEU  11  22.352  -2.890   0.373
   78    HA   LEU  11           HA       LEU  11  23.781  -5.400   0.025
   79    HB2  LEU  11           HB2      LEU  11  22.849  -3.227  -1.661
   80    HB3  LEU  11           HB1      LEU  11  24.496  -3.688  -2.082
   81    HG   LEU  11           HG       LEU  11  22.316  -5.738  -1.688
   82   HD11  LEU  11          HD11      LEU  11  21.541  -4.298  -3.463
   83   HD12  LEU  11          HD12      LEU  11  22.192  -5.759  -4.201
   84   HD13  LEU  11          HD13      LEU  11  23.140  -4.272  -4.205
   85   HD21  LEU  11          HD21      LEU  11  24.913  -5.803  -3.257
   86   HD22  LEU  11          HD22      LEU  11  23.824  -7.160  -2.973
   87   HD23  LEU  11          HD23      LEU  11  24.720  -6.453  -1.630
   88    H    LEU  12           HN       LEU  12  25.037  -2.185  -0.747
   89    HA   LEU  12           HA       LEU  12  27.743  -2.810  -0.619
   90    HB2  LEU  12           HB2      LEU  12  26.128  -0.377  -0.559
   91    HB3  LEU  12           HB1      LEU  12  27.660  -0.190   0.281
   92    HG   LEU  12           HG       LEU  12  27.685   0.342  -2.217
   93   HD11  LEU  12          HD11      LEU  12  29.814  -1.145  -2.536
   94   HD12  LEU  12          HD12      LEU  12  29.522  -1.623  -0.865
   95   HD13  LEU  12          HD13      LEU  12  29.809   0.071  -1.260
   96   HD21  LEU  12          HD21      LEU  12  27.889  -2.615  -2.674
   97   HD22  LEU  12          HD22      LEU  12  27.439  -1.338  -3.803
   98   HD23  LEU  12          HD23      LEU  12  26.282  -1.888  -2.591
   99    H    ASN  13           HN       ASN  13  25.588  -2.212   2.084
  100    HA   ASN  13           HA       ASN  13  27.765  -1.611   3.906
  101    HB2  ASN  13           HB2      ASN  13  25.346  -0.869   4.213
  102    HB3  ASN  13           HB1      ASN  13  25.009  -2.521   4.724
  103   HD21  ASN  13          HD21      ASN  13  27.115   0.287   5.489
  104   HD22  ASN  13          HD22      ASN  13  27.307  -0.117   7.141
  105    H    SER  14           HN       SER  14  25.402  -4.238   4.111
  106    HA   SER  14           HA       SER  14  26.924  -5.741   5.918
  107    HB2  SER  14           HB2      SER  14  24.481  -6.047   5.314
  108    HB3  SER  14           HB1      SER  14  25.024  -6.936   3.892
  109    HG   SER  14           HG       SER  14  24.587  -8.285   5.725
  110    H    THR  15           HN       THR  15  26.979  -5.874   2.356
  111    HA   THR  15           HA       THR  15  28.644  -8.208   2.230
  112    HB   THR  15           HB       THR  15  27.286  -7.305   0.314
  113    HG1  THR  15           HG1      THR  15  28.767  -8.744  -0.305
  114   HG21  THR  15          HG21      THR  15  28.510  -4.909   0.872
  115   HG22  THR  15          HG22      THR  15  27.677  -5.287  -0.633
  116   HG23  THR  15          HG23      THR  15  29.424  -5.470  -0.526
  117    H    VAL  16           HN       VAL  16  29.326  -4.783   2.579
  118    HA   VAL  16           HA       VAL  16  31.884  -5.340   3.750
  119    HB   VAL  16           HB       VAL  16  32.953  -3.806   1.794
  120   HG11  VAL  16          HG11      VAL  16  33.436  -6.286   2.800
  121   HG12  VAL  16          HG12      VAL  16  34.322  -5.604   1.437
  122   HG13  VAL  16          HG13      VAL  16  32.974  -6.700   1.149
  123   HG21  VAL  16          HG21      VAL  16  30.690  -4.175   0.557
  124   HG22  VAL  16          HG22      VAL  16  31.336  -5.780   0.208
  125   HG23  VAL  16          HG23      VAL  16  32.191  -4.343  -0.351
  126    H    ASN  17           HN       ASN  17  31.411  -3.851   5.351
  127    HA   ASN  17           HA       ASN  17  31.965  -1.150   4.714
  128    HB2  ASN  17           HB2      ASN  17  29.544  -1.498   3.844
  129    HB3  ASN  17           HB1      ASN  17  29.097  -1.370   5.547
  130   HD21  ASN  17          HD21      ASN  17  31.598   0.328   5.931
  131   HD22  ASN  17          HD22      ASN  17  31.102   1.887   5.395
  132    HA   PRO  18           HA       PRO  18  30.769  -1.419   9.349
  133    HB2  PRO  18           HB2      PRO  18  30.391  -4.197  10.035
  134    HB3  PRO  18           HB1      PRO  18  29.242  -2.865  10.213
  135    HG2  PRO  18           HG2      PRO  18  29.062  -4.985   8.423
  136    HG3  PRO  18           HG1      PRO  18  28.100  -3.498   8.394
  137    HD2  PRO  18           HD2      PRO  18  30.318  -4.323   6.640
  138    HD3  PRO  18           HD1      PRO  18  29.078  -3.080   6.380
  139    H    ILE  19           HN       ILE  19  33.078  -1.634   7.939
  140    HA   ILE  19           HA       ILE  19  34.821  -3.357   9.595
  141    HB   ILE  19           HB       ILE  19  35.764  -4.110   7.266
  142   HG12  ILE  19          HG12      ILE  19  32.929  -3.304   6.598
  143   HG13  ILE  19          HG11      ILE  19  34.387  -2.571   5.927
  144   HG21  ILE  19          HG21      ILE  19  34.430  -6.075   7.374
  145   HG22  ILE  19          HG22      ILE  19  33.070  -5.196   8.068
  146   HG23  ILE  19          HG23      ILE  19  34.517  -5.483   9.032
  147   HD11  ILE  19          HD11      ILE  19  33.283  -5.337   5.481
  148   HD12  ILE  19          HD12      ILE  19  34.987  -4.982   5.192
  149   HD13  ILE  19          HD13      ILE  19  33.744  -4.128   4.282
  150    H    ILE  20           HN       ILE  20  36.324  -2.565   6.700
  151    HA   ILE  20           HA       ILE  20  37.879  -0.444   8.031
  152    HB   ILE  20           HB       ILE  20  38.519  -1.111   5.218
  153   HG12  ILE  20          HG12      ILE  20  39.648  -3.300   6.331
  154   HG13  ILE  20          HG11      ILE  20  38.177  -3.231   7.297
  155   HG21  ILE  20          HG21      ILE  20  39.986   0.209   6.704
  156   HG22  ILE  20          HG22      ILE  20  40.781  -1.276   6.181
  157   HG23  ILE  20          HG23      ILE  20  40.103  -1.164   7.805
  158   HD11  ILE  20          HD11      ILE  20  38.505  -3.709   4.368
  159   HD12  ILE  20          HD12      ILE  20  37.064  -2.845   4.900
  160   HD13  ILE  20          HD13      ILE  20  37.394  -4.466   5.509
  161    H    TYR  21           HN       TYR  21  36.235  -0.835   4.862
  162    HA   TYR  21           HA       TYR  21  36.237   2.033   4.402
  163    HB2  TYR  21           HB2      TYR  21  34.201   0.672   2.851
  164    HB3  TYR  21           HB1      TYR  21  35.670   1.473   2.316
  165    HD1  TYR  21           HD2      TYR  21  37.808   0.245   2.149
  166    HD2  TYR  21           HD1      TYR  21  34.131  -1.733   3.167
  167    HE1  TYR  21           HE2      TYR  21  38.841  -1.946   1.621
  168    HE2  TYR  21           HE1      TYR  21  35.164  -3.922   2.635
  169    HH   TYR  21           HH       TYR  21  37.918  -4.708   2.612
  170    H    ALA  22           HN       ALA  22  35.337   1.995   6.822
  171    HA   ALA  22           HA       ALA  22  32.550   1.500   7.234
  172    HB1  ALA  22           HB1      ALA  22  34.478   3.330   8.691
  173    HB2  ALA  22           HB2      ALA  22  34.063   1.672   9.127
  174    HB3  ALA  22           HB3      ALA  22  32.853   2.948   9.260
  175    H    LEU  23           HN       LEU  23  32.202   2.680   4.951
  176    HA   LEU  23           HA       LEU  23  31.036   4.403   3.872
  177    HB2  LEU  23           HB2      LEU  23  30.576   5.493   6.669
  178    HB3  LEU  23           HB1      LEU  23  29.646   5.874   5.217
  179    HG   LEU  23           HG       LEU  23  29.595   3.083   5.328
  180   HD11  LEU  23          HD11      LEU  23  28.535   2.931   7.745
  181   HD12  LEU  23          HD12      LEU  23  29.605   4.291   8.076
  182   HD13  LEU  23          HD13      LEU  23  30.275   2.755   7.528
  183   HD21  LEU  23          HD21      LEU  23  27.577   5.116   6.328
  184   HD22  LEU  23          HD22      LEU  23  27.207   3.437   5.934
  185   HD23  LEU  23          HD23      LEU  23  27.739   4.543   4.667
  186    H    ARG  24           HN       ARG  24  32.607   5.994   6.666
  187    HA   ARG  24           HA       ARG  24  33.416   8.331   5.263
  188    HB2  ARG  24           HB2      ARG  24  35.150   8.559   7.035
  189    HB3  ARG  24           HB1      ARG  24  33.569   8.176   7.712
  190    HG2  ARG  24           HG2      ARG  24  34.676   6.525   8.820
  191    HG3  ARG  24           HG1      ARG  24  34.593   5.663   7.286
  192    HD2  ARG  24           HD2      ARG  24  36.856   5.583   7.446
  193    HD3  ARG  24           HD1      ARG  24  36.798   7.254   6.899
  194    HE   ARG  24           HE       ARG  24  36.839   7.922   9.333
  195   HH11  ARG  24          HH21      ARG  24  37.863   4.743   8.366
  196   HH12  ARG  24          HH22      ARG  24  38.840   4.500   9.769
  197   HH21  ARG  24          HH11      ARG  24  38.114   7.589  11.159
  198   HH22  ARG  24          HH12      ARG  24  38.986   6.104  11.343
  199    H    SER  25           HN       SER  25  34.776   5.103   5.417
  200    HA   SER  25           HA       SER  25  36.994   5.981   3.626
  201    HB2  SER  25           HB2      SER  25  37.680   3.450   4.345
  202    HB3  SER  25           HB1      SER  25  38.154   4.882   5.264
  203    HG   SER  25           HG       SER  25  37.007   3.033   6.387
  204    H    LYS  26           HN       LYS  26  33.960   4.882   3.281
  205    HA   LYS  26           HA       LYS  26  34.177   2.533   1.676
  206    HB2  LYS  26           HB2      LYS  26  32.147   4.613   2.117
  207    HB3  LYS  26           HB1      LYS  26  32.120   3.951   0.484
  208    HG2  LYS  26           HG2      LYS  26  32.229   2.154   2.910
  209    HG3  LYS  26           HG1      LYS  26  30.698   2.735   2.260
  210    HD2  LYS  26           HD2      LYS  26  31.045   1.613   0.192
  211    HD3  LYS  26           HD1      LYS  26  32.760   1.352   0.534
  212    HE2  LYS  26           HE2      LYS  26  31.885  -0.740   1.071
  213    HE3  LYS  26           HE1      LYS  26  31.839   0.054   2.638
  214    HZ1  LYS  26           HZ1      LYS  26  29.529   0.261   0.825
  215    HZ2  LYS  26           HZ2      LYS  26  29.578   0.398   2.515
  216    HZ3  LYS  26           HZ3      LYS  26  29.730  -1.136   1.779
  217    H    ASP  27           HN       ASP  27  34.679   5.933   0.989
  218    HA   ASP  27           HA       ASP  27  34.930   5.854  -1.838
  219    HB2  ASP  27           HB2      ASP  27  35.049   7.955  -0.562
  220    HB3  ASP  27           HB1      ASP  27  36.551   7.417   0.193
  221    H    LEU  28           HN       LEU  28  37.258   5.139   0.730
  222    HA   LEU  28           HA       LEU  28  39.354   4.326  -1.115
  223    HB2  LEU  28           HB2      LEU  28  38.981   4.438   1.831
  224    HB3  LEU  28           HB1      LEU  28  40.084   3.191   1.245
  225    HG   LEU  28           HG       LEU  28  41.248   5.347   1.728
  226   HD11  LEU  28          HD11      LEU  28  42.696   4.752   0.112
  227   HD12  LEU  28          HD12      LEU  28  41.627   5.392  -1.134
  228   HD13  LEU  28          HD13      LEU  28  41.446   3.725  -0.587
  229   HD21  LEU  28          HD21      LEU  28  39.758   6.448  -0.661
  230   HD22  LEU  28          HD22      LEU  28  40.791   7.318   0.472
  231   HD23  LEU  28          HD23      LEU  28  39.213   6.726   0.992
  232    H    ARG  29           HN       ARG  29  36.480   2.931  -0.768
  233    HA   ARG  29           HA       ARG  29  37.482   0.150  -0.441
  234    HB2  ARG  29           HB2      ARG  29  35.284   0.947   0.574
  235    HB3  ARG  29           HB1      ARG  29  34.644   1.007  -1.066
  236    HG2  ARG  29           HG2      ARG  29  36.000  -1.493  -0.075
  237    HG3  ARG  29           HG1      ARG  29  34.320  -1.179   0.355
  238    HD2  ARG  29           HD2      ARG  29  33.879  -0.794  -2.120
  239    HD3  ARG  29           HD1      ARG  29  35.485  -1.458  -2.429
  240    HE   ARG  29           HE       ARG  29  33.123  -2.990  -1.821
  241   HH11  ARG  29          HH21      ARG  29  36.519  -2.764  -1.214
  242   HH12  ARG  29          HH22      ARG  29  36.733  -4.468  -0.990
  243   HH21  ARG  29          HH11      ARG  29  33.381  -5.217  -1.558
  244   HH22  ARG  29          HH12      ARG  29  34.947  -5.865  -1.199
  245    H    HIS  30           HN       HIS  30  35.276   1.731  -2.769
  246    HA   HIS  30           HA       HIS  30  35.994  -0.128  -4.865
  247    HB2  HIS  30           HB2      HIS  30  34.796   1.484  -6.369
  248    HB3  HIS  30           HB1      HIS  30  33.828   0.955  -4.986
  249    HD1  HIS  30           HD1      HIS  30  35.164   3.963  -6.621
  250    HD2  HIS  30           HD2      HIS  30  33.793   2.970  -2.791
  251    HE1  HIS  30           HE1      HIS  30  34.689   6.150  -5.431
  252    HE2  HIS  30           HE2      HIS  30  33.834   5.562  -3.118
  253    H    ALA  31           HN       ALA  31  36.825   3.305  -4.239
  254    HA   ALA  31           HA       ALA  31  38.625   3.717  -6.368
  255    HB1  ALA  31           HB1      ALA  31  39.591   5.448  -5.077
  256    HB2  ALA  31           HB2      ALA  31  39.285   4.608  -3.557
  257    HB3  ALA  31           HB3      ALA  31  37.947   5.336  -4.446
  258    H    PHE  32           HN       PHE  32  39.279   2.273  -3.175
  259    HA   PHE  32           HA       PHE  32  41.962   1.481  -3.595
  260    HB2  PHE  32           HB2      PHE  32  41.028   1.114  -1.447
  261    HB3  PHE  32           HB1      PHE  32  39.653   0.256  -2.111
  262    HD1  PHE  32           HD2      PHE  32  43.291  -0.196  -2.866
  263    HD2  PHE  32           HD1      PHE  32  39.752  -1.870  -1.105
  264    HE1  PHE  32           HE2      PHE  32  44.480  -2.341  -2.517
  265    HE2  PHE  32           HE1      PHE  32  40.943  -4.012  -0.749
  266    HZ   PHE  32           HZ       PHE  32  43.309  -4.249  -1.454
  267    H    ARG  33           HN       ARG  33  38.964  -0.296  -4.300
  268    HA   ARG  33           HA       ARG  33  40.466  -2.266  -5.891
  269    HB2  ARG  33           HB2      ARG  33  37.515  -2.031  -5.260
  270    HB3  ARG  33           HB1      ARG  33  38.294  -3.424  -6.022
  271    HG2  ARG  33           HG2      ARG  33  38.987  -2.320  -3.278
  272    HG3  ARG  33           HG1      ARG  33  37.993  -3.745  -3.561
  273    HD2  ARG  33           HD2      ARG  33  40.180  -4.602  -3.147
  274    HD3  ARG  33           HD1      ARG  33  39.993  -4.667  -4.901
  275    HE   ARG  33           HE       ARG  33  41.213  -2.187  -3.913
  276   HH11  ARG  33          HH21      ARG  33  41.692  -5.453  -4.918
  277   HH12  ARG  33          HH22      ARG  33  43.288  -5.171  -5.527
  278   HH21  ARG  33          HH11      ARG  33  43.292  -1.787  -4.736
  279   HH22  ARG  33          HH12      ARG  33  44.194  -3.101  -5.422
  280    H    SER  34           HN       SER  34  40.257   0.508  -6.749
  281    HA   SER  34           HA       SER  34  39.705  -0.070  -9.544
  282    HB2  SER  34           HB2      SER  34  37.635   1.138  -8.008
  283    HB3  SER  34           HB1      SER  34  38.312   2.395  -9.048
  284    HG   SER  34           HG       SER  34  37.437   1.432 -10.698
  285    H    MET  35           HN       MET  35  41.511   1.368  -7.209
  286    HA   MET  35           HA       MET  35  42.908   3.156  -9.079
  287    HB2  MET  35           HB2      MET  35  41.442   4.097  -6.587
  288    HB3  MET  35           HB1      MET  35  42.760   5.020  -7.319
  289    HG2  MET  35           HG2      MET  35  40.174   4.222  -8.685
  290    HG3  MET  35           HG1      MET  35  40.608   5.847  -8.139
  291    HE1  MET  35           HE1      MET  35  40.677   6.740 -11.510
  292    HE2  MET  35           HE2      MET  35  39.589   5.951 -10.370
  293    HE3  MET  35           HE3      MET  35  40.166   5.067 -11.782
  294    H    PHE  36           HN       PHE  36  42.600   2.517  -5.565
  295    HA   PHE  36           HA       PHE  36  45.480   2.774  -5.268
  296    HB2  PHE  36           HB2      PHE  36  43.377   3.098  -3.534
  297    HB3  PHE  36           HB1      PHE  36  44.035   1.536  -3.028
  298    HD1  PHE  36           HD2      PHE  36  44.798   5.129  -3.494
  299    HD2  PHE  36           HD1      PHE  36  46.255   1.335  -2.092
  300    HE1  PHE  36           HE2      PHE  36  46.706   6.267  -2.390
  301    HE2  PHE  36           HE1      PHE  36  48.161   2.477  -0.994
  302    HZ   PHE  36           HZ       PHE  36  48.388   4.942  -1.144
  303    HA   PRO  37           HA       PRO  37  45.972  -1.605  -6.176
  304    HB2  PRO  37           HB2      PRO  37  48.590  -1.563  -6.676
  305    HB3  PRO  37           HB1      PRO  37  47.465  -0.730  -7.785
  306    HG2  PRO  37           HG2      PRO  37  49.092   0.439  -5.549
  307    HG3  PRO  37           HG1      PRO  37  48.959   0.968  -7.225
  308    HD2  PRO  37           HD2      PRO  37  47.471   2.107  -5.242
  309    HD3  PRO  37           HD1      PRO  37  46.870   1.957  -6.914
  310    H    SER  38           HN       SER  38  47.856   0.355  -3.953
  311    HA   SER  38           HA       SER  38  48.625  -0.070  -1.790
  312    HB2  SER  38           HB2      SER  38  46.411  -1.929  -2.270
  313    HB3  SER  38           HB1      SER  38  47.505  -2.434  -0.977
  314    HG   SER  38           HG       SER  38  45.846  -1.057  -0.203
  315    H    ALA  39           HN       ALA  39  48.753  -2.734  -4.096
  316    HA   ALA  39           HA       ALA  39  50.482  -4.239  -4.556
  317    HB1  ALA  39           HB1      ALA  39  51.883  -2.083  -3.998
  318    HB2  ALA  39           HB2      ALA  39  52.687  -3.651  -4.020
  319    HB3  ALA  39           HB3      ALA  39  52.230  -2.920  -2.484
  320    H    GLU  40           HN       GLU  40  48.822  -5.565  -3.287
  321    HA   GLU  40           HA       GLU  40  50.047  -6.555  -0.744
  322    HB2  GLU  40           HB2      GLU  40  47.271  -7.334  -1.069
  323    HB3  GLU  40           HB1      GLU  40  48.018  -6.422   0.236
  324    HG2  GLU  40           HG2      GLU  40  46.488  -4.872  -0.614
  325    HG3  GLU  40           HG1      GLU  40  47.961  -4.430  -1.473
  Start of MODEL   13
    1    H1   THR   1           HT1      THR   1  20.366   9.768  -6.150
    2    H2   THR   1           HT2      THR   1  19.761  11.282  -6.617
    3    H3   THR   1           HT3      THR   1  19.406   9.904  -7.539
    4    HA   THR   1           HA       THR   1  17.867  10.971  -5.550
    5    HB   THR   1           HB       THR   1  16.808   9.713  -7.228
    6    HG1  THR   1           HG1      THR   1  15.567   8.862  -5.788
    7   HG21  THR   1          HG21      THR   1  18.400   8.366  -8.237
    8   HG22  THR   1          HG22      THR   1  17.486   7.145  -7.355
    9   HG23  THR   1          HG23      THR   1  19.008   7.748  -6.701
   10    H    VAL   2           HN       VAL   2  17.284  10.278  -3.452
   11    HA   VAL   2           HA       VAL   2  19.334   9.141  -1.791
   12    HB   VAL   2           HB       VAL   2  16.375   9.062  -1.160
   13   HG11  VAL   2          HG11      VAL   2  18.905   9.418   0.480
   14   HG12  VAL   2          HG12      VAL   2  17.833   8.016   0.483
   15   HG13  VAL   2          HG13      VAL   2  17.273   9.557   1.136
   16   HG21  VAL   2          HG21      VAL   2  18.131  11.404  -1.617
   17   HG22  VAL   2          HG22      VAL   2  17.246  11.429  -0.092
   18   HG23  VAL   2          HG23      VAL   2  16.370  11.300  -1.615
   19    H    PHE   3           HN       PHE   3  16.836   7.817  -3.799
   20    HA   PHE   3           HA       PHE   3  16.648   5.170  -2.735
   21    HB2  PHE   3           HB2      PHE   3  15.080   5.720  -4.425
   22    HB3  PHE   3           HB1      PHE   3  16.329   6.359  -5.495
   23    HD1  PHE   3           HD1      PHE   3  14.968   3.227  -4.008
   24    HD2  PHE   3           HD2      PHE   3  17.526   4.964  -6.989
   25    HE1  PHE   3           HE1      PHE   3  15.220   1.007  -5.083
   26    HE2  PHE   3           HE2      PHE   3  17.775   2.742  -8.066
   27    HZ   PHE   3           HZ       PHE   3  16.624   0.764  -7.112
   28    H    ALA   4           HN       ALA   4  18.897   6.647  -5.066
   29    HA   ALA   4           HA       ALA   4  20.456   4.274  -5.545
   30    HB1  ALA   4           HB1      ALA   4  22.198   5.838  -6.334
   31    HB2  ALA   4           HB2      ALA   4  21.300   7.189  -5.644
   32    HB3  ALA   4           HB3      ALA   4  20.621   6.273  -6.990
   33    H    PHE   5           HN       PHE   5  20.582   6.848  -3.123
   34    HA   PHE   5           HA       PHE   5  23.019   6.045  -1.838
   35    HB2  PHE   5           HB2      PHE   5  21.448   8.149  -1.441
   36    HB3  PHE   5           HB1      PHE   5  20.708   7.093  -0.237
   37    HD1  PHE   5           HD1      PHE   5  23.885   8.723  -1.276
   38    HD2  PHE   5           HD2      PHE   5  21.850   6.503   1.790
   39    HE1  PHE   5           HE1      PHE   5  25.744   9.190   0.298
   40    HE2  PHE   5           HE2      PHE   5  23.709   6.972   3.361
   41    HZ   PHE   5           HZ       PHE   5  25.657   8.317   2.617
   42    H    ALA   6           HN       ALA   6  19.626   5.333  -0.940
   43    HA   ALA   6           HA       ALA   6  20.180   3.379   1.024
   44    HB1  ALA   6           HB1      ALA   6  17.921   2.407   0.337
   45    HB2  ALA   6           HB2      ALA   6  17.875   3.640  -0.922
   46    HB3  ALA   6           HB3      ALA   6  17.911   4.116   0.775
   47    H    SER   7           HN       SER   7  19.925   3.055  -2.506
   48    HA   SER   7           HA       SER   7  20.168   0.226  -2.675
   49    HB2  SER   7           HB2      SER   7  21.277   2.321  -4.563
   50    HB3  SER   7           HB1      SER   7  21.021   0.613  -4.947
   51    HG   SER   7           HG       SER   7  19.051   2.547  -4.207
   52    H    MET   8           HN       MET   8  22.769   2.634  -3.137
   53    HA   MET   8           HA       MET   8  24.917   0.778  -2.980
   54    HB2  MET   8           HB2      MET   8  24.583   3.690  -2.862
   55    HB3  MET   8           HB1      MET   8  25.925   3.114  -1.871
   56    HG2  MET   8           HG2      MET   8  27.005   2.094  -3.713
   57    HG3  MET   8           HG1      MET   8  25.540   2.149  -4.706
   58    HE1  MET   8           HE1      MET   8  24.341   4.037  -5.281
   59    HE2  MET   8           HE2      MET   8  25.063   5.480  -5.989
   60    HE3  MET   8           HE3      MET   8  24.582   5.484  -4.294
   61    H    LEU   9           HN       LEU   9  23.188   2.560  -0.480
   62    HA   LEU   9           HA       LEU   9  24.790   1.928   1.753
   63    HB2  LEU   9           HB2      LEU   9  22.332   3.171   1.327
   64    HB3  LEU   9           HB1      LEU   9  21.910   1.763   2.301
   65    HG   LEU   9           HG       LEU   9  23.992   3.866   2.976
   66   HD11  LEU   9          HD11      LEU   9  22.469   4.358   4.860
   67   HD12  LEU   9          HD12      LEU   9  21.346   3.131   4.273
   68   HD13  LEU   9          HD13      LEU   9  21.652   4.578   3.313
   69   HD21  LEU   9          HD21      LEU   9  23.858   2.498   5.228
   70   HD22  LEU   9          HD22      LEU   9  24.888   1.914   3.921
   71   HD23  LEU   9          HD23      LEU   9  23.301   1.192   4.182
   72    H    CYS  10           HN       CYS  10  21.809   0.220   0.759
   73    HA   CYS  10           HA       CYS  10  22.163  -2.066   2.388
   74    HB2  CYS  10           HB2      CYS  10  20.677  -1.487  -0.146
   75    HB3  CYS  10           HB1      CYS  10  20.834  -3.170   0.366
   76    HG   CYS  10           HG       CYS  10  19.791  -2.298   2.738
   77    H    LEU  11           HN       LEU  11  23.096  -1.607  -1.034
   78    HA   LEU  11           HA       LEU  11  24.231  -4.156  -1.450
   79    HB2  LEU  11           HB2      LEU  11  24.440  -1.484  -2.698
   80    HB3  LEU  11           HB1      LEU  11  25.828  -2.528  -2.977
   81    HG   LEU  11           HG       LEU  11  24.226  -4.340  -3.703
   82   HD11  LEU  11          HD11      LEU  11  22.230  -3.409  -2.546
   83   HD12  LEU  11          HD12      LEU  11  21.933  -3.667  -4.264
   84   HD13  LEU  11          HD13      LEU  11  22.245  -2.041  -3.660
   85   HD21  LEU  11          HD21      LEU  11  23.822  -3.349  -5.915
   86   HD22  LEU  11          HD22      LEU  11  25.418  -2.886  -5.326
   87   HD23  LEU  11          HD23      LEU  11  24.083  -1.735  -5.256
   88    H    LEU  12           HN       LEU  12  25.995  -1.159  -0.626
   89    HA   LEU  12           HA       LEU  12  28.501  -2.387  -0.052
   90    HB2  LEU  12           HB2      LEU  12  27.158   0.180   0.668
   91    HB3  LEU  12           HB1      LEU  12  28.547  -0.296   1.632
   92    HG   LEU  12           HG       LEU  12  29.912  -0.518  -0.418
   93   HD11  LEU  12          HD11      LEU  12  28.204  -1.168  -2.009
   94   HD12  LEU  12          HD12      LEU  12  28.934   0.335  -2.571
   95   HD13  LEU  12          HD13      LEU  12  27.357   0.362  -1.787
   96   HD21  LEU  12          HD21      LEU  12  28.964   2.114  -1.081
   97   HD22  LEU  12          HD22      LEU  12  30.406   1.668  -0.169
   98   HD23  LEU  12          HD23      LEU  12  28.869   1.901   0.666
   99    H    ASN  13           HN       ASN  13  25.628  -1.845   1.912
  100    HA   ASN  13           HA       ASN  13  26.808  -2.499   4.418
  101    HB2  ASN  13           HB2      ASN  13  24.097  -2.095   3.383
  102    HB3  ASN  13           HB1      ASN  13  24.183  -3.263   4.682
  103   HD21  ASN  13          HD21      ASN  13  26.634  -0.773   4.666
  104   HD22  ASN  13          HD22      ASN  13  25.968   0.144   5.953
  105    H    SER  14           HN       SER  14  25.088  -4.472   2.053
  106    HA   SER  14           HA       SER  14  25.351  -6.810   3.764
  107    HB2  SER  14           HB2      SER  14  24.600  -7.084   0.884
  108    HB3  SER  14           HB1      SER  14  23.891  -7.854   2.306
  109    HG   SER  14           HG       SER  14  23.625  -5.122   1.508
  110    H    THR  15           HN       THR  15  27.703  -5.301   2.328
  111    HA   THR  15           HA       THR  15  29.024  -7.780   1.305
  112    HB   THR  15           HB       THR  15  30.183  -6.155  -0.313
  113    HG1  THR  15           HG1      THR  15  27.889  -4.579   0.011
  114   HG21  THR  15          HG21      THR  15  28.162  -6.147  -1.825
  115   HG22  THR  15          HG22      THR  15  27.227  -6.760  -0.462
  116   HG23  THR  15          HG23      THR  15  28.549  -7.718  -1.126
  117    H    VAL  16           HN       VAL  16  29.727  -4.420   2.156
  118    HA   VAL  16           HA       VAL  16  32.005  -5.352   3.855
  119    HB   VAL  16           HB       VAL  16  32.614  -2.933   2.398
  120   HG11  VAL  16          HG11      VAL  16  34.126  -4.667   3.595
  121   HG12  VAL  16          HG12      VAL  16  34.709  -4.002   2.070
  122   HG13  VAL  16          HG13      VAL  16  33.984  -5.607   2.114
  123   HG21  VAL  16          HG21      VAL  16  32.084  -5.393   0.705
  124   HG22  VAL  16          HG22      VAL  16  32.876  -3.923   0.143
  125   HG23  VAL  16          HG23      VAL  16  31.181  -3.879   0.630
  126    H    ASN  17           HN       ASN  17  30.387  -4.808   5.475
  127    HA   ASN  17           HA       ASN  17  30.685  -2.001   6.219
  128    HB2  ASN  17           HB2      ASN  17  28.525  -2.690   4.664
  129    HB3  ASN  17           HB1      ASN  17  27.854  -2.642   6.302
  130   HD21  ASN  17          HD21      ASN  17  29.904  -0.746   7.238
  131   HD22  ASN  17          HD22      ASN  17  29.459   0.778   6.589
  132    HA   PRO  18           HA       PRO  18  28.590  -4.412   9.822
  133    HB2  PRO  18           HB2      PRO  18  29.206  -7.222   9.303
  134    HB3  PRO  18           HB1      PRO  18  27.647  -6.477   9.687
  135    HG2  PRO  18           HG2      PRO  18  28.336  -7.519   7.256
  136    HG3  PRO  18           HG1      PRO  18  27.052  -6.322   7.519
  137    HD2  PRO  18           HD2      PRO  18  29.764  -5.968   6.363
  138    HD3  PRO  18           HD1      PRO  18  28.293  -5.010   6.090
  139    H    ILE  19           HN       ILE  19  31.424  -4.206   8.398
  140    HA   ILE  19           HA       ILE  19  32.941  -5.356  10.666
  141    HB   ILE  19           HB       ILE  19  34.150  -4.944   7.941
  142   HG12  ILE  19          HG12      ILE  19  33.568  -7.598   7.916
  143   HG13  ILE  19          HG11      ILE  19  32.140  -6.980   8.747
  144   HG21  ILE  19          HG21      ILE  19  35.793  -6.422   8.691
  145   HG22  ILE  19          HG22      ILE  19  34.715  -7.192   9.853
  146   HG23  ILE  19          HG23      ILE  19  35.370  -5.590  10.187
  147   HD11  ILE  19          HD11      ILE  19  33.197  -6.125   6.040
  148   HD12  ILE  19          HD12      ILE  19  31.899  -5.287   6.889
  149   HD13  ILE  19          HD13      ILE  19  31.680  -6.959   6.375
  150    H    ILE  20           HN       ILE  20  35.156  -3.830   8.865
  151    HA   ILE  20           HA       ILE  20  34.987  -1.389  10.539
  152    HB   ILE  20           HB       ILE  20  37.222  -1.190   8.833
  153   HG12  ILE  20          HG12      ILE  20  38.359  -3.399   9.348
  154   HG13  ILE  20          HG11      ILE  20  36.781  -4.028   9.818
  155   HG21  ILE  20          HG21      ILE  20  37.073  -0.553  11.232
  156   HG22  ILE  20          HG22      ILE  20  38.480  -1.569  10.918
  157   HG23  ILE  20          HG23      ILE  20  37.044  -2.261  11.673
  158   HD11  ILE  20          HD11      ILE  20  37.872  -3.568   7.148
  159   HD12  ILE  20          HD12      ILE  20  36.291  -2.818   7.365
  160   HD13  ILE  20          HD13      ILE  20  36.493  -4.549   7.640
  161    H    TYR  21           HN       TYR  21  34.265  -2.449   7.377
  162    HA   TYR  21           HA       TYR  21  34.662   0.040   5.989
  163    HB2  TYR  21           HB2      TYR  21  32.836  -2.300   5.381
  164    HB3  TYR  21           HB1      TYR  21  33.113  -0.952   4.298
  165    HD1  TYR  21           HD1      TYR  21  34.877  -3.676   6.142
  166    HD2  TYR  21           HD2      TYR  21  34.960  -0.943   2.828
  167    HE1  TYR  21           HE1      TYR  21  36.908  -4.793   5.270
  168    HE2  TYR  21           HE2      TYR  21  36.991  -2.063   1.961
  169    HH   TYR  21           HH       TYR  21  37.954  -4.709   2.365
  170    H    ALA  22           HN       ALA  22  33.329   0.434   8.509
  171    HA   ALA  22           HA       ALA  22  30.626   0.650   8.714
  172    HB1  ALA  22           HB1      ALA  22  31.018   2.922   9.821
  173    HB2  ALA  22           HB2      ALA  22  32.715   2.739   9.377
  174    HB3  ALA  22           HB3      ALA  22  31.957   1.577  10.466
  175    H    LEU  23           HN       LEU  23  32.577   3.196   7.118
  176    HA   LEU  23           HA       LEU  23  31.077   3.333   4.771
  177    HB2  LEU  23           HB2      LEU  23  29.668   4.541   7.028
  178    HB3  LEU  23           HB1      LEU  23  29.948   5.704   5.729
  179    HG   LEU  23           HG       LEU  23  28.890   2.942   5.134
  180   HD11  LEU  23          HD11      LEU  23  27.309   5.423   5.874
  181   HD12  LEU  23          HD12      LEU  23  27.340   3.897   6.756
  182   HD13  LEU  23          HD13      LEU  23  26.612   3.973   5.152
  183   HD21  LEU  23          HD21      LEU  23  29.754   4.344   3.278
  184   HD22  LEU  23          HD22      LEU  23  28.640   5.628   3.741
  185   HD23  LEU  23          HD23      LEU  23  28.015   4.094   3.141
  186    H    ARG  24           HN       ARG  24  31.651   6.087   6.864
  187    HA   ARG  24           HA       ARG  24  32.799   8.080   6.104
  188    HB2  ARG  24           HB2      ARG  24  33.935   6.687   7.973
  189    HB3  ARG  24           HB1      ARG  24  35.103   6.238   6.737
  190    HG2  ARG  24           HG2      ARG  24  35.866   8.213   8.008
  191    HG3  ARG  24           HG1      ARG  24  35.591   8.618   6.317
  192    HD2  ARG  24           HD2      ARG  24  34.620  10.160   8.256
  193    HD3  ARG  24           HD1      ARG  24  33.700   9.888   6.778
  194    HE   ARG  24           HE       ARG  24  32.274   8.336   7.990
  195   HH11  ARG  24          HH21      ARG  24  34.705   9.908   9.896
  196   HH12  ARG  24          HH22      ARG  24  33.962   9.501  11.405
  197   HH21  ARG  24          HH11      ARG  24  31.311   7.800   9.952
  198   HH22  ARG  24          HH12      ARG  24  32.053   8.294  11.440
  199    H    SER  25           HN       SER  25  35.485   6.066   5.191
  200    HA   SER  25           HA       SER  25  35.087   6.887   2.348
  201    HB2  SER  25           HB2      SER  25  37.715   6.590   2.383
  202    HB3  SER  25           HB1      SER  25  36.988   8.088   2.979
  203    HG   SER  25           HG       SER  25  38.575   6.506   4.294
  204    H    LYS  26           HN       LYS  26  34.451   4.362   4.051
  205    HA   LYS  26           HA       LYS  26  36.219   2.300   3.248
  206    HB2  LYS  26           HB2      LYS  26  34.557   0.735   3.920
  207    HB3  LYS  26           HB1      LYS  26  34.441   2.105   5.009
  208    HG2  LYS  26           HG2      LYS  26  32.224   1.754   4.507
  209    HG3  LYS  26           HG1      LYS  26  32.634   2.953   3.292
  210    HD2  LYS  26           HD2      LYS  26  32.672   1.364   1.563
  211    HD3  LYS  26           HD1      LYS  26  32.919   0.012   2.670
  212    HE2  LYS  26           HE2      LYS  26  30.378   1.672   2.536
  213    HE3  LYS  26           HE1      LYS  26  30.594   0.122   1.722
  214    HZ1  LYS  26           HZ1      LYS  26  31.073   0.393   4.633
  215    HZ2  LYS  26           HZ2      LYS  26  30.730  -1.013   3.728
  216    HZ3  LYS  26           HZ3      LYS  26  29.505   0.140   4.020
  217    H    ASP  27           HN       ASP  27  33.612   3.859   1.572
  218    HA   ASP  27           HA       ASP  27  33.141   1.939  -0.477
  219    HB2  ASP  27           HB2      ASP  27  31.597   3.646  -0.572
  220    HB3  ASP  27           HB1      ASP  27  32.791   4.876  -0.154
  221    H    LEU  28           HN       LEU  28  35.565   4.466  -0.128
  222    HA   LEU  28           HA       LEU  28  36.880   3.772  -2.676
  223    HB2  LEU  28           HB2      LEU  28  36.954   6.100  -1.956
  224    HB3  LEU  28           HB1      LEU  28  37.629   5.635  -0.392
  225    HG   LEU  28           HG       LEU  28  39.142   4.676  -2.757
  226   HD11  LEU  28          HD11      LEU  28  38.543   7.549  -2.284
  227   HD12  LEU  28          HD12      LEU  28  39.014   6.727  -3.770
  228   HD13  LEU  28          HD13      LEU  28  40.236   7.148  -2.572
  229   HD21  LEU  28          HD21      LEU  28  40.994   5.040  -1.329
  230   HD22  LEU  28          HD22      LEU  28  39.714   4.530  -0.229
  231   HD23  LEU  28          HD23      LEU  28  40.131   6.238  -0.366
  232    H    ARG  29           HN       ARG  29  37.190   3.268   0.789
  233    HA   ARG  29           HA       ARG  29  39.708   2.109   1.028
  234    HB2  ARG  29           HB2      ARG  29  38.046   2.437   2.883
  235    HB3  ARG  29           HB1      ARG  29  37.177   1.022   2.280
  236    HG2  ARG  29           HG2      ARG  29  39.625  -0.060   2.437
  237    HG3  ARG  29           HG1      ARG  29  39.794   1.171   3.683
  238    HD2  ARG  29           HD2      ARG  29  38.189   0.219   5.046
  239    HD3  ARG  29           HD1      ARG  29  37.298  -0.451   3.691
  240    HE   ARG  29           HE       ARG  29  38.797  -2.336   3.640
  241   HH11  ARG  29          HH21      ARG  29  39.577   0.025   6.055
  242   HH12  ARG  29          HH22      ARG  29  40.639  -1.033   6.923
  243   HH21  ARG  29          HH11      ARG  29  40.158  -3.713   4.761
  244   HH22  ARG  29          HH12      ARG  29  40.968  -3.159   6.191
  245    H    HIS  30           HN       HIS  30  36.716   0.179   0.460
  246    HA   HIS  30           HA       HIS  30  38.212  -2.160  -0.196
  247    HB2  HIS  30           HB2      HIS  30  36.159  -3.138  -0.923
  248    HB3  HIS  30           HB1      HIS  30  35.758  -2.072   0.428
  249    HD1  HIS  30           HD1      HIS  30  35.683  -2.128  -3.378
  250    HD2  HIS  30           HD2      HIS  30  33.949  -0.069  -0.184
  251    HE1  HIS  30           HE1      HIS  30  33.939  -0.583  -4.381
  252    HE2  HIS  30           HE2      HIS  30  32.898   0.698  -2.454
  253    H    ALA  31           HN       ALA  31  36.989   0.478  -2.211
  254    HA   ALA  31           HA       ALA  31  37.935  -0.655  -4.720
  255    HB1  ALA  31           HB1      ALA  31  38.041   2.142  -4.938
  256    HB2  ALA  31           HB2      ALA  31  36.716   1.833  -3.816
  257    HB3  ALA  31           HB3      ALA  31  36.698   1.105  -5.422
  258    H    PHE  32           HN       PHE  32  39.493   0.283  -1.963
  259    HA   PHE  32           HA       PHE  32  41.963   1.048  -3.455
  260    HB2  PHE  32           HB2      PHE  32  41.092   2.803  -1.924
  261    HB3  PHE  32           HB1      PHE  32  41.162   1.654  -0.590
  262    HD1  PHE  32           HD2      PHE  32  43.141   3.732  -2.902
  263    HD2  PHE  32           HD1      PHE  32  43.290   0.950   0.368
  264    HE1  PHE  32           HE2      PHE  32  45.516   4.333  -2.494
  265    HE2  PHE  32           HE1      PHE  32  45.658   1.551   0.777
  266    HZ   PHE  32           HZ       PHE  32  46.771   3.242  -0.650
  267    H    ARG  33           HN       ARG  33  41.295  -0.209  -0.200
  268    HA   ARG  33           HA       ARG  33  43.476  -1.973   0.027
  269    HB2  ARG  33           HB2      ARG  33  40.734  -1.829   1.222
  270    HB3  ARG  33           HB1      ARG  33  41.710  -3.263   1.523
  271    HG2  ARG  33           HG2      ARG  33  43.342  -0.914   1.825
  272    HG3  ARG  33           HG1      ARG  33  41.891  -0.742   2.814
  273    HD2  ARG  33           HD2      ARG  33  43.990  -1.973   3.812
  274    HD3  ARG  33           HD1      ARG  33  42.377  -2.621   4.101
  275    HE   ARG  33           HE       ARG  33  43.734  -3.703   1.718
  276   HH11  ARG  33          HH21      ARG  33  43.108  -3.932   5.114
  277   HH12  ARG  33          HH22      ARG  33  43.333  -5.645   5.175
  278   HH21  ARG  33          HH11      ARG  33  44.038  -5.933   1.785
  279   HH22  ARG  33          HH12      ARG  33  43.870  -6.786   3.284
  280    H    SER  34           HN       SER  34  41.082  -2.161  -2.282
  281    HA   SER  34           HA       SER  34  41.606  -5.061  -2.660
  282    HB2  SER  34           HB2      SER  34  39.303  -4.113  -1.523
  283    HB3  SER  34           HB1      SER  34  38.851  -4.203  -3.231
  284    HG   SER  34           HG       SER  34  39.422  -6.361  -3.244
  285    H    MET  35           HN       MET  35  41.358  -1.941  -4.016
  286    HA   MET  35           HA       MET  35  41.585  -3.156  -6.726
  287    HB2  MET  35           HB2      MET  35  39.766  -0.888  -5.912
  288    HB3  MET  35           HB1      MET  35  40.289  -1.102  -7.580
  289    HG2  MET  35           HG2      MET  35  39.326  -3.585  -6.370
  290    HG3  MET  35           HG1      MET  35  38.090  -2.321  -6.403
  291    HE1  MET  35           HE1      MET  35  40.666  -4.378  -8.273
  292    HE2  MET  35           HE2      MET  35  41.143  -2.819  -8.945
  293    HE3  MET  35           HE3      MET  35  40.411  -4.032  -9.991
  294    H    PHE  36           HN       PHE  36  41.681   0.086  -5.180
  295    HA   PHE  36           HA       PHE  36  43.869   0.979  -6.841
  296    HB2  PHE  36           HB2      PHE  36  42.178   2.309  -5.220
  297    HB3  PHE  36           HB1      PHE  36  43.533   2.114  -4.104
  298    HD1  PHE  36           HD2      PHE  36  45.806   2.947  -4.731
  299    HD2  PHE  36           HD1      PHE  36  42.317   3.825  -7.077
  300    HE1  PHE  36           HE2      PHE  36  47.027   4.790  -5.856
  301    HE2  PHE  36           HE1      PHE  36  43.536   5.666  -8.199
  302    HZ   PHE  36           HZ       PHE  36  45.891   6.152  -7.587
  303    HA   PRO  37           HA       PRO  37  46.839  -1.480  -4.510
  304    HB2  PRO  37           HB2      PRO  37  48.934  -1.190  -6.147
  305    HB3  PRO  37           HB1      PRO  37  47.498  -2.088  -6.701
  306    HG2  PRO  37           HG2      PRO  37  48.226   0.773  -7.194
  307    HG3  PRO  37           HG1      PRO  37  47.752  -0.457  -8.352
  308    HD2  PRO  37           HD2      PRO  37  45.967   1.346  -7.376
  309    HD3  PRO  37           HD1      PRO  37  45.484  -0.320  -7.802
  310    H    SER  38           HN       SER  38  47.344   1.812  -5.649
  311    HA   SER  38           HA       SER  38  48.468   3.617  -4.661
  312    HB2  SER  38           HB2      SER  38  47.634   1.998  -2.559
  313    HB3  SER  38           HB1      SER  38  49.354   2.251  -2.236
  314    HG   SER  38           HG       SER  38  47.775   4.440  -3.032
  315    H    ALA  39           HN       ALA  39  49.684   1.944  -6.455
  316    HA   ALA  39           HA       ALA  39  52.513   2.203  -5.653
  317    HB1  ALA  39           HB1      ALA  39  51.875  -0.160  -5.130
  318    HB2  ALA  39           HB2      ALA  39  53.090  -0.052  -6.403
  319    HB3  ALA  39           HB3      ALA  39  51.404  -0.371  -6.816
  320    H    GLU  40           HN       GLU  40  50.360   3.282  -7.606
  321    HA   GLU  40           HA       GLU  40  51.204   2.542 -10.258
  322    HB2  GLU  40           HB2      GLU  40  50.212   5.111 -10.535
  323    HB3  GLU  40           HB1      GLU  40  49.243   3.643 -10.583
  324    HG2  GLU  40           HG2      GLU  40  49.878   4.983  -7.953
  325    HG3  GLU  40           HG1      GLU  40  48.525   5.528  -8.942
  Start of MODEL   14
    1    H1   THR   1           HT1      THR   1  18.158   9.068  -4.716
    2    H2   THR   1           HT2      THR   1  17.302   9.582  -6.084
    3    H3   THR   1           HT3      THR   1  18.923   9.099  -6.228
    4    HA   THR   1           HA       THR   1  16.594   7.538  -6.409
    5    HB   THR   1           HB       THR   1  18.844   5.902  -6.623
    6    HG1  THR   1           HG1      THR   1  20.377   7.378  -6.444
    7   HG21  THR   1          HG21      THR   1  18.460   6.057  -8.961
    8   HG22  THR   1          HG22      THR   1  17.871   7.716  -8.837
    9   HG23  THR   1          HG23      THR   1  16.887   6.382  -8.230
   10    H    VAL   2           HN       VAL   2  16.283   8.036  -3.848
   11    HA   VAL   2           HA       VAL   2  17.676   6.659  -1.858
   12    HB   VAL   2           HB       VAL   2  14.672   6.557  -1.802
   13   HG11  VAL   2          HG11      VAL   2  16.779   7.453   0.193
   14   HG12  VAL   2          HG12      VAL   2  16.054   5.845   0.139
   15   HG13  VAL   2          HG13      VAL   2  15.058   7.249   0.521
   16   HG21  VAL   2          HG21      VAL   2  14.861   8.705  -2.761
   17   HG22  VAL   2          HG22      VAL   2  16.388   9.037  -1.940
   18   HG23  VAL   2          HG23      VAL   2  14.878   9.039  -1.031
   19    H    PHE   3           HN       PHE   3  15.276   5.401  -4.130
   20    HA   PHE   3           HA       PHE   3  14.841   2.849  -3.070
   21    HB2  PHE   3           HB2      PHE   3  15.284   3.095  -6.027
   22    HB3  PHE   3           HB1      PHE   3  13.992   2.268  -5.153
   23    HD1  PHE   3           HD2      PHE   3  12.462   3.858  -3.665
   24    HD2  PHE   3           HD1      PHE   3  14.801   5.150  -7.028
   25    HE1  PHE   3           HE2      PHE   3  11.016   5.861  -3.903
   26    HE2  PHE   3           HE1      PHE   3  13.357   7.152  -7.266
   27    HZ   PHE   3           HZ       PHE   3  11.464   7.508  -5.704
   28    H    ALA   4           HN       ALA   4  17.204   3.449  -5.699
   29    HA   ALA   4           HA       ALA   4  18.588   0.991  -5.354
   30    HB1  ALA   4           HB1      ALA   4  18.917   2.311  -7.371
   31    HB2  ALA   4           HB2      ALA   4  20.474   2.140  -6.558
   32    HB3  ALA   4           HB3      ALA   4  19.575   3.652  -6.431
   33    H    PHE   5           HN       PHE   5  19.119   4.187  -3.898
   34    HA   PHE   5           HA       PHE   5  21.566   3.589  -2.576
   35    HB2  PHE   5           HB2      PHE   5  20.060   5.828  -2.773
   36    HB3  PHE   5           HB1      PHE   5  19.624   5.326  -1.141
   37    HD1  PHE   5           HD2      PHE   5  22.755   5.387  -3.230
   38    HD2  PHE   5           HD1      PHE   5  20.912   6.282   0.549
   39    HE1  PHE   5           HE2      PHE   5  24.921   6.243  -2.377
   40    HE2  PHE   5           HE1      PHE   5  23.078   7.138   1.401
   41    HZ   PHE   5           HZ       PHE   5  25.085   7.120  -0.063
   42    H    ALA   6           HN       ALA   6  18.386   3.808  -0.940
   43    HA   ALA   6           HA       ALA   6  19.078   2.553   1.444
   44    HB1  ALA   6           HB1      ALA   6  16.895   3.419   1.387
   45    HB2  ALA   6           HB2      ALA   6  16.615   1.678   1.376
   46    HB3  ALA   6           HB3      ALA   6  16.508   2.597  -0.124
   47    H    SER   7           HN       SER   7  18.334   1.033  -1.648
   48    HA   SER   7           HA       SER   7  18.239  -1.670  -0.639
   49    HB2  SER   7           HB2      SER   7  19.028  -0.774  -3.422
   50    HB3  SER   7           HB1      SER   7  18.336  -2.334  -2.953
   51    HG   SER   7           HG       SER   7  17.118   0.247  -2.948
   52    H    MET   8           HN       MET   8  20.751  -0.049  -2.610
   53    HA   MET   8           HA       MET   8  22.802  -1.947  -2.254
   54    HB2  MET   8           HB2      MET   8  22.747   1.013  -2.755
   55    HB3  MET   8           HB1      MET   8  24.285   0.249  -2.370
   56    HG2  MET   8           HG2      MET   8  24.186  -1.194  -4.256
   57    HG3  MET   8           HG1      MET   8  22.466  -0.862  -4.511
   58    HE1  MET   8           HE1      MET   8  26.002   1.961  -5.267
   59    HE2  MET   8           HE2      MET   8  25.990   0.438  -4.380
   60    HE3  MET   8           HE3      MET   8  25.288   1.881  -3.650
   61    H    LEU   9           HN       LEU   9  22.135   0.966  -0.360
   62    HA   LEU   9           HA       LEU   9  24.154   0.868   1.514
   63    HB2  LEU   9           HB2      LEU   9  21.558   2.081   1.313
   64    HB3  LEU   9           HB1      LEU   9  21.767   1.470   2.958
   65    HG   LEU   9           HG       LEU   9  22.597   3.815   2.634
   66   HD11  LEU   9          HD11      LEU   9  24.997   2.131   3.220
   67   HD12  LEU   9          HD12      LEU   9  23.565   1.920   4.228
   68   HD13  LEU   9          HD13      LEU   9  24.342   3.499   4.121
   69   HD21  LEU   9          HD21      LEU   9  23.570   2.987   0.265
   70   HD22  LEU   9          HD22      LEU   9  25.019   2.772   1.250
   71   HD23  LEU   9          HD23      LEU   9  24.255   4.360   1.137
   72    H    CYS  10           HN       CYS  10  20.929  -0.355   2.432
   73    HA   CYS  10           HA       CYS  10  21.651  -1.790   4.672
   74    HB2  CYS  10           HB2      CYS  10  19.593  -2.404   2.548
   75    HB3  CYS  10           HB1      CYS  10  19.772  -3.425   3.980
   76    HG   CYS  10           HG       CYS  10  19.015  -1.494   5.473
   77    H    LEU  11           HN       LEU  11  21.924  -2.883   1.313
   78    HA   LEU  11           HA       LEU  11  22.914  -5.518   2.093
   79    HB2  LEU  11           HB2      LEU  11  21.737  -4.474  -0.176
   80    HB3  LEU  11           HB1      LEU  11  23.417  -4.636  -0.676
   81    HG   LEU  11           HG       LEU  11  22.127  -6.920   0.782
   82   HD11  LEU  11          HD11      LEU  11  20.442  -6.533  -0.850
   83   HD12  LEU  11          HD12      LEU  11  21.470  -7.784  -1.546
   84   HD13  LEU  11          HD13      LEU  11  21.625  -6.113  -2.088
   85   HD21  LEU  11          HD21      LEU  11  23.653  -8.208  -0.668
   86   HD22  LEU  11          HD22      LEU  11  24.536  -6.960   0.210
   87   HD23  LEU  11          HD23      LEU  11  24.134  -6.725  -1.491
   88    H    LEU  12           HN       LEU  12  24.483  -3.181  -0.094
   89    HA   LEU  12           HA       LEU  12  27.085  -4.139   0.157
   90    HB2  LEU  12           HB2      LEU  12  25.861  -1.604  -0.710
   91    HB3  LEU  12           HB1      LEU  12  27.525  -1.449  -0.155
   92    HG   LEU  12           HG       LEU  12  26.633  -3.543  -2.155
   93   HD11  LEU  12          HD11      LEU  12  27.192  -0.676  -2.492
   94   HD12  LEU  12          HD12      LEU  12  26.436  -1.812  -3.609
   95   HD13  LEU  12          HD13      LEU  12  28.194  -1.705  -3.516
   96   HD21  LEU  12          HD21      LEU  12  29.010  -3.148  -0.649
   97   HD22  LEU  12          HD22      LEU  12  29.386  -2.691  -2.312
   98   HD23  LEU  12          HD23      LEU  12  28.750  -4.299  -1.961
   99    H    ASN  13           HN       ASN  13  25.266  -2.264   2.449
  100    HA   ASN  13           HA       ASN  13  27.631  -1.453   3.985
  101    HB2  ASN  13           HB2      ASN  13  25.466  -0.172   4.042
  102    HB3  ASN  13           HB1      ASN  13  24.741  -1.532   4.890
  103   HD21  ASN  13          HD21      ASN  13  27.284   0.947   5.158
  104   HD22  ASN  13          HD22      ASN  13  27.403   0.878   6.865
  105    H    SER  14           HN       SER  14  24.833  -3.491   4.760
  106    HA   SER  14           HA       SER  14  25.905  -4.661   7.053
  107    HB2  SER  14           HB2      SER  14  23.529  -4.804   6.243
  108    HB3  SER  14           HB1      SER  14  24.052  -6.016   5.076
  109    HG   SER  14           HG       SER  14  24.185  -7.443   6.635
  110    H    THR  15           HN       THR  15  26.275  -5.718   3.661
  111    HA   THR  15           HA       THR  15  27.634  -8.163   4.323
  112    HB   THR  15           HB       THR  15  26.673  -7.863   2.104
  113    HG1  THR  15           HG1      THR  15  28.208  -9.023   1.323
  114   HG21  THR  15          HG21      THR  15  27.824  -5.298   2.275
  115   HG22  THR  15          HG22      THR  15  26.898  -5.968   0.934
  116   HG23  THR  15          HG23      THR  15  28.656  -6.110   0.950
  117    H    VAL  16           HN       VAL  16  28.731  -4.843   3.909
  118    HA   VAL  16           HA       VAL  16  31.186  -5.485   5.333
  119    HB   VAL  16           HB       VAL  16  32.451  -4.422   3.221
  120   HG11  VAL  16          HG11      VAL  16  33.572  -6.385   3.280
  121   HG12  VAL  16          HG12      VAL  16  32.144  -7.293   2.798
  122   HG13  VAL  16          HG13      VAL  16  32.399  -6.892   4.494
  123   HG21  VAL  16          HG21      VAL  16  30.584  -6.311   1.836
  124   HG22  VAL  16          HG22      VAL  16  31.593  -5.039   1.148
  125   HG23  VAL  16          HG23      VAL  16  30.122  -4.618   2.024
  126    H    ASN  17           HN       ASN  17  30.767  -3.755   6.708
  127    HA   ASN  17           HA       ASN  17  31.747  -1.251   5.840
  128    HB2  ASN  17           HB2      ASN  17  28.943  -1.620   5.337
  129    HB3  ASN  17           HB1      ASN  17  29.156  -0.358   6.551
  130   HD21  ASN  17          HD21      ASN  17  31.734   0.552   5.652
  131   HD22  ASN  17          HD22      ASN  17  31.499   1.361   4.162
  132    HA   PRO  18           HA       PRO  18  29.891  -0.896  10.343
  133    HB2  PRO  18           HB2      PRO  18  29.474  -3.788  10.869
  134    HB3  PRO  18           HB1      PRO  18  28.472  -2.402  11.337
  135    HG2  PRO  18           HG2      PRO  18  27.762  -4.113   9.393
  136    HG3  PRO  18           HG1      PRO  18  27.323  -2.392   9.358
  137    HD2  PRO  18           HD2      PRO  18  29.375  -3.856   7.762
  138    HD3  PRO  18           HD1      PRO  18  28.426  -2.418   7.328
  139    H    ILE  19           HN       ILE  19  32.025  -3.018   8.820
  140    HA   ILE  19           HA       ILE  19  33.562  -3.714  11.189
  141    HB   ILE  19           HB       ILE  19  34.563  -4.012   8.367
  142   HG12  ILE  19          HG12      ILE  19  33.291  -6.406   9.012
  143   HG13  ILE  19          HG11      ILE  19  32.136  -5.178   9.524
  144   HG21  ILE  19          HG21      ILE  19  34.766  -5.837  10.777
  145   HG22  ILE  19          HG22      ILE  19  35.968  -4.608  10.391
  146   HG23  ILE  19          HG23      ILE  19  35.686  -5.945   9.278
  147   HD11  ILE  19          HD11      ILE  19  31.552  -5.425   7.294
  148   HD12  ILE  19          HD12      ILE  19  33.209  -5.750   6.784
  149   HD13  ILE  19          HD13      ILE  19  32.713  -4.102   7.178
  150    H    ILE  20           HN       ILE  20  34.661  -2.111   8.168
  151    HA   ILE  20           HA       ILE  20  36.032  -0.099   9.892
  152    HB   ILE  20           HB       ILE  20  37.530  -0.842   7.466
  153   HG12  ILE  20          HG12      ILE  20  38.476  -2.868   8.923
  154   HG13  ILE  20          HG11      ILE  20  36.825  -2.898   9.533
  155   HG21  ILE  20          HG21      ILE  20  39.401  -0.722   9.034
  156   HG22  ILE  20          HG22      ILE  20  38.287  -0.689  10.399
  157   HG23  ILE  20          HG23      ILE  20  38.338   0.665   9.271
  158   HD11  ILE  20          HD11      ILE  20  37.824  -3.380   6.744
  159   HD12  ILE  20          HD12      ILE  20  36.183  -2.777   6.982
  160   HD13  ILE  20          HD13      ILE  20  36.669  -4.319   7.688
  161    H    TYR  21           HN       TYR  21  35.097  -0.930   6.544
  162    HA   TYR  21           HA       TYR  21  35.515   1.638   5.446
  163    HB2  TYR  21           HB2      TYR  21  33.245   0.049   4.358
  164    HB3  TYR  21           HB1      TYR  21  34.586   0.821   3.525
  165    HD1  TYR  21           HD2      TYR  21  36.991  -0.164   4.182
  166    HD2  TYR  21           HD1      TYR  21  33.271  -2.293   4.494
  167    HE1  TYR  21           HE2      TYR  21  38.216  -2.314   4.113
  168    HE2  TYR  21           HE1      TYR  21  34.501  -4.446   4.428
  169    HH   TYR  21           HH       TYR  21  37.852  -4.663   4.857
  170    H    ALA  22           HN       ALA  22  33.339   0.784   7.804
  171    HA   ALA  22           HA       ALA  22  31.377   1.756   8.658
  172    HB1  ALA  22           HB1      ALA  22  33.234   4.006   7.906
  173    HB2  ALA  22           HB2      ALA  22  32.870   3.355   9.506
  174    HB3  ALA  22           HB3      ALA  22  31.675   4.341   8.662
  175    H    LEU  23           HN       LEU  23  31.962   4.270   6.265
  176    HA   LEU  23           HA       LEU  23  29.925   3.428   4.419
  177    HB2  LEU  23           HB2      LEU  23  29.072   4.966   6.759
  178    HB3  LEU  23           HB1      LEU  23  28.692   5.795   5.245
  179    HG   LEU  23           HG       LEU  23  28.010   2.894   5.811
  180   HD11  LEU  23          HD11      LEU  23  26.299   5.397   5.918
  181   HD12  LEU  23          HD12      LEU  23  26.706   4.349   7.276
  182   HD13  LEU  23          HD13      LEU  23  25.667   3.753   5.982
  183   HD21  LEU  23          HD21      LEU  23  27.798   4.717   3.476
  184   HD22  LEU  23          HD22      LEU  23  26.368   3.747   3.815
  185   HD23  LEU  23          HD23      LEU  23  27.915   2.956   3.521
  186    H    ARG  24           HN       ARG  24  31.586   6.225   5.861
  187    HA   ARG  24           HA       ARG  24  31.705   7.655   3.325
  188    HB2  ARG  24           HB2      ARG  24  32.992   9.274   4.463
  189    HB3  ARG  24           HB1      ARG  24  31.932   8.647   5.722
  190    HG2  ARG  24           HG2      ARG  24  33.744   7.090   6.438
  191    HG3  ARG  24           HG1      ARG  24  34.805   7.795   5.218
  192    HD2  ARG  24           HD2      ARG  24  33.614   9.169   7.641
  193    HD3  ARG  24           HD1      ARG  24  35.318   8.878   7.294
  194    HE   ARG  24           HE       ARG  24  34.020  10.508   5.249
  195   HH11  ARG  24          HH21      ARG  24  35.619  10.418   8.315
  196   HH12  ARG  24          HH22      ARG  24  36.057  12.091   8.284
  197   HH21  ARG  24          HH11      ARG  24  34.588  12.699   5.199
  198   HH22  ARG  24          HH12      ARG  24  35.474  13.378   6.526
  199    H    SER  25           HN       SER  25  33.786   5.451   5.139
  200    HA   SER  25           HA       SER  25  35.989   5.707   3.256
  201    HB2  SER  25           HB2      SER  25  36.313   3.325   4.684
  202    HB3  SER  25           HB1      SER  25  37.010   4.898   5.092
  203    HG   SER  25           HG       SER  25  35.822   4.534   6.838
  204    H    LYS  26           HN       LYS  26  32.996   4.278   2.982
  205    HA   LYS  26           HA       LYS  26  33.491   1.760   1.768
  206    HB2  LYS  26           HB2      LYS  26  31.313   3.676   1.786
  207    HB3  LYS  26           HB1      LYS  26  31.558   3.086   0.150
  208    HG2  LYS  26           HG2      LYS  26  31.080   1.409   2.623
  209    HG3  LYS  26           HG1      LYS  26  29.970   1.633   1.282
  210    HD2  LYS  26           HD2      LYS  26  31.048   0.109  -0.026
  211    HD3  LYS  26           HD1      LYS  26  32.646   0.639   0.501
  212    HE2  LYS  26           HE2      LYS  26  32.360  -1.581   1.361
  213    HE3  LYS  26           HE1      LYS  26  32.161  -0.490   2.726
  214    HZ1  LYS  26           HZ1      LYS  26  29.765  -0.602   2.442
  215    HZ2  LYS  26           HZ2      LYS  26  30.420  -2.155   2.689
  216    HZ3  LYS  26           HZ3      LYS  26  29.951  -1.666   1.127
  217    H    ASP  27           HN       ASP  27  33.435   5.013   0.425
  218    HA   ASP  27           HA       ASP  27  34.133   4.697  -2.228
  219    HB2  ASP  27           HB2      ASP  27  33.893   6.876  -1.011
  220    HB3  ASP  27           HB1      ASP  27  35.486   6.601  -0.303
  221    H    LEU  28           HN       LEU  28  36.588   5.024   0.341
  222    HA   LEU  28           HA       LEU  28  38.769   4.159  -1.254
  223    HB2  LEU  28           HB2      LEU  28  38.319   4.183   1.740
  224    HB3  LEU  28           HB1      LEU  28  39.837   3.638   1.022
  225    HG   LEU  28           HG       LEU  28  40.082   5.972   1.589
  226   HD11  LEU  28          HD11      LEU  28  40.766   5.018  -0.775
  227   HD12  LEU  28          HD12      LEU  28  40.919   6.739  -0.427
  228   HD13  LEU  28          HD13      LEU  28  39.539   6.147  -1.351
  229   HD21  LEU  28          HD21      LEU  28  37.495   6.310   1.463
  230   HD22  LEU  28          HD22      LEU  28  37.798   6.716  -0.229
  231   HD23  LEU  28          HD23      LEU  28  38.550   7.662   1.057
  232    H    ARG  29           HN       ARG  29  36.466   2.350   0.740
  233    HA   ARG  29           HA       ARG  29  37.805  -0.109   0.878
  234    HB2  ARG  29           HB2      ARG  29  35.587   0.433   1.921
  235    HB3  ARG  29           HB1      ARG  29  34.835   0.175   0.346
  236    HG2  ARG  29           HG2      ARG  29  36.574  -1.905   1.703
  237    HG3  ARG  29           HG1      ARG  29  34.825  -1.841   1.913
  238    HD2  ARG  29           HD2      ARG  29  34.864  -1.775  -0.756
  239    HD3  ARG  29           HD1      ARG  29  36.421  -2.569  -0.514
  240    HE   ARG  29           HE       ARG  29  33.809  -3.759  -0.064
  241   HH11  ARG  29          HH21      ARG  29  37.131  -3.677   0.917
  242   HH12  ARG  29          HH22      ARG  29  37.153  -5.331   1.431
  243   HH21  ARG  29          HH11      ARG  29  33.832  -5.911   0.598
  244   HH22  ARG  29          HH12      ARG  29  35.279  -6.596   1.265
  245    H    HIS  30           HN       HIS  30  35.320   0.616  -1.609
  246    HA   HIS  30           HA       HIS  30  36.291  -1.597  -3.219
  247    HB2  HIS  30           HB2      HIS  30  34.727  -0.620  -4.987
  248    HB3  HIS  30           HB1      HIS  30  33.980  -1.152  -3.479
  249    HD1  HIS  30           HD1      HIS  30  34.469   1.797  -5.631
  250    HD2  HIS  30           HD2      HIS  30  33.310   1.095  -1.674
  251    HE1  HIS  30           HE1      HIS  30  33.380   3.933  -4.805
  252    HE2  HIS  30           HE2      HIS  30  32.665   3.514  -2.408
  253    H    ALA  31           HN       ALA  31  36.532   1.962  -3.455
  254    HA   ALA  31           HA       ALA  31  38.054   2.158  -5.830
  255    HB1  ALA  31           HB1      ALA  31  38.565   3.678  -3.251
  256    HB2  ALA  31           HB2      ALA  31  37.333   4.114  -4.433
  257    HB3  ALA  31           HB3      ALA  31  39.039   4.181  -4.873
  258    H    PHE  32           HN       PHE  32  38.966   1.102  -2.611
  259    HA   PHE  32           HA       PHE  32  41.786   0.706  -3.244
  260    HB2  PHE  32           HB2      PHE  32  40.906   0.939  -0.938
  261    HB3  PHE  32           HB1      PHE  32  39.995  -0.535  -1.166
  262    HD1  PHE  32           HD2      PHE  32  42.901  -1.221  -2.912
  263    HD2  PHE  32           HD1      PHE  32  41.558  -0.615   1.125
  264    HE1  PHE  32           HE2      PHE  32  44.822  -2.532  -2.079
  265    HE2  PHE  32           HE1      PHE  32  43.490  -1.925   1.955
  266    HZ   PHE  32           HZ       PHE  32  45.120  -2.882   0.355
  267    H    ARG  33           HN       ARG  33  39.155  -1.619  -2.610
  268    HA   ARG  33           HA       ARG  33  40.497  -3.786  -3.963
  269    HB2  ARG  33           HB2      ARG  33  37.545  -3.547  -3.372
  270    HB3  ARG  33           HB1      ARG  33  38.484  -5.033  -3.542
  271    HG2  ARG  33           HG2      ARG  33  39.058  -2.962  -1.413
  272    HG3  ARG  33           HG1      ARG  33  37.953  -4.310  -1.149
  273    HD2  ARG  33           HD2      ARG  33  39.648  -5.884  -1.157
  274    HD3  ARG  33           HD1      ARG  33  40.667  -4.941  -2.245
  275    HE   ARG  33           HE       ARG  33  40.516  -3.478   0.157
  276   HH11  ARG  33          HH21      ARG  33  41.552  -6.588  -0.956
  277   HH12  ARG  33          HH22      ARG  33  42.807  -6.738   0.227
  278   HH21  ARG  33          HH11      ARG  33  42.132  -3.660   1.712
  279   HH22  ARG  33          HH12      ARG  33  43.135  -5.072   1.751
  280    H    SER  34           HN       SER  34  40.423  -1.578  -5.691
  281    HA   SER  34           HA       SER  34  39.429  -2.790  -8.089
  282    HB2  SER  34           HB2      SER  34  37.771  -0.576  -6.869
  283    HB3  SER  34           HB1      SER  34  37.740  -0.942  -8.594
  284    HG   SER  34           HG       SER  34  37.512  -3.161  -7.002
  285    H    MET  35           HN       MET  35  40.521   0.049  -6.364
  286    HA   MET  35           HA       MET  35  41.874   1.010  -8.852
  287    HB2  MET  35           HB2      MET  35  40.940   2.696  -6.497
  288    HB3  MET  35           HB1      MET  35  41.718   3.290  -7.970
  289    HG2  MET  35           HG2      MET  35  39.461   1.649  -8.692
  290    HG3  MET  35           HG1      MET  35  38.950   2.886  -7.535
  291    HE1  MET  35           HE1      MET  35  41.988   3.150 -10.135
  292    HE2  MET  35           HE2      MET  35  41.045   3.541 -11.569
  293    HE3  MET  35           HE3      MET  35  40.765   2.019 -10.731
  294    H    PHE  36           HN       PHE  36  42.117   1.364  -5.275
  295    HA   PHE  36           HA       PHE  36  44.908   1.975  -5.404
  296    HB2  PHE  36           HB2      PHE  36  43.189   2.268  -3.416
  297    HB3  PHE  36           HB1      PHE  36  43.804   0.685  -2.945
  298    HD1  PHE  36           HD1      PHE  36  45.162   3.945  -4.244
  299    HD2  PHE  36           HD2      PHE  36  45.628   0.669  -1.500
  300    HE1  PHE  36           HE1      PHE  36  47.206   5.004  -3.326
  301    HE2  PHE  36           HE2      PHE  36  47.670   1.732  -0.584
  302    HZ   PHE  36           HZ       PHE  36  48.463   3.896  -1.497
  303    HA   PRO  37           HA       PRO  37  46.296  -2.321  -5.704
  304    HB2  PRO  37           HB2      PRO  37  48.667  -1.833  -6.785
  305    HB3  PRO  37           HB1      PRO  37  47.204  -1.514  -7.750
  306    HG2  PRO  37           HG2      PRO  37  48.884   0.407  -6.186
  307    HG3  PRO  37           HG1      PRO  37  48.271   0.545  -7.830
  308    HD2  PRO  37           HD2      PRO  37  47.029   1.698  -5.658
  309    HD3  PRO  37           HD1      PRO  37  46.178   1.240  -7.153
  310    H    SER  38           HN       SER  38  47.589   0.494  -4.137
  311    HA   SER  38           HA       SER  38  49.000   0.748  -2.273
  312    HB2  SER  38           HB2      SER  38  47.663  -1.724  -1.967
  313    HB3  SER  38           HB1      SER  38  49.359  -2.029  -1.552
  314    HG   SER  38           HG       SER  38  49.233  -0.531   0.048
  315    H    ALA  39           HN       ALA  39  50.000   0.790  -4.711
  316    HA   ALA  39           HA       ALA  39  51.706  -1.180  -5.646
  317    HB1  ALA  39           HB1      ALA  39  51.867   1.823  -5.949
  318    HB2  ALA  39           HB2      ALA  39  51.128   0.671  -7.059
  319    HB3  ALA  39           HB3      ALA  39  52.879   0.706  -6.862
  320    H    GLU  40           HN       GLU  40  53.704  -1.867  -5.193
  321    HA   GLU  40           HA       GLU  40  55.370  -0.279  -3.286
  322    HB2  GLU  40           HB2      GLU  40  55.189  -3.268  -3.751
  323    HB3  GLU  40           HB1      GLU  40  56.557  -2.524  -2.923
  324    HG2  GLU  40           HG2      GLU  40  54.203  -1.423  -1.767
  325    HG3  GLU  40           HG1      GLU  40  53.958  -3.167  -1.867
  Start of MODEL   15
    1    H1   THR   1           HT1      THR   1  18.573  10.211  -4.450
    2    H2   THR   1           HT2      THR   1  17.065   9.873  -5.148
    3    H3   THR   1           HT3      THR   1  18.402  10.216  -6.132
    4    HA   THR   1           HA       THR   1  17.747   7.808  -5.944
    5    HB   THR   1           HB       THR   1  20.470   7.642  -5.108
    6    HG1  THR   1           HG1      THR   1  20.724   9.811  -5.242
    7   HG21  THR   1          HG21      THR   1  19.410   6.381  -6.953
    8   HG22  THR   1          HG22      THR   1  20.850   7.235  -7.508
    9   HG23  THR   1          HG23      THR   1  19.247   7.875  -7.875
   10    H    VAL   2           HN       VAL   2  16.726   8.801  -3.431
   11    HA   VAL   2           HA       VAL   2  18.066   7.757  -1.153
   12    HB   VAL   2           HB       VAL   2  15.658   7.456  -0.256
   13   HG11  VAL   2          HG11      VAL   2  15.794  10.240  -1.196
   14   HG12  VAL   2          HG12      VAL   2  17.304   9.661  -0.497
   15   HG13  VAL   2          HG13      VAL   2  15.816   9.605   0.449
   16   HG21  VAL   2          HG21      VAL   2  14.996   8.946  -2.817
   17   HG22  VAL   2          HG22      VAL   2  13.873   8.420  -1.566
   18   HG23  VAL   2          HG23      VAL   2  14.675   7.227  -2.585
   19    H    PHE   3           HN       PHE   3  16.059   6.213  -3.602
   20    HA   PHE   3           HA       PHE   3  15.787   3.664  -2.337
   21    HB2  PHE   3           HB2      PHE   3  14.818   4.706  -4.637
   22    HB3  PHE   3           HB1      PHE   3  16.141   3.740  -5.299
   23    HD1  PHE   3           HD2      PHE   3  13.344   3.499  -2.814
   24    HD2  PHE   3           HD1      PHE   3  15.769   1.476  -5.723
   25    HE1  PHE   3           HE2      PHE   3  11.981   1.447  -2.520
   26    HE2  PHE   3           HE1      PHE   3  14.406  -0.577  -5.429
   27    HZ   PHE   3           HZ       PHE   3  12.512  -0.592  -3.827
   28    H    ALA   4           HN       ALA   4  18.160   4.796  -4.769
   29    HA   ALA   4           HA       ALA   4  19.797   2.479  -4.765
   30    HB1  ALA   4           HB1      ALA   4  21.599   3.961  -5.571
   31    HB2  ALA   4           HB2      ALA   4  20.663   5.375  -5.090
   32    HB3  ALA   4           HB3      ALA   4  20.082   4.332  -6.388
   33    H    PHE   5           HN       PHE   5  20.073   5.458  -2.815
   34    HA   PHE   5           HA       PHE   5  22.278   4.648  -1.223
   35    HB2  PHE   5           HB2      PHE   5  20.715   6.890  -1.313
   36    HB3  PHE   5           HB1      PHE   5  20.148   6.153   0.187
   37    HD1  PHE   5           HD1      PHE   5  23.292   7.107  -1.621
   38    HD2  PHE   5           HD2      PHE   5  21.394   6.366   2.160
   39    HE1  PHE   5           HE1      PHE   5  25.328   7.890  -0.446
   40    HE2  PHE   5           HE2      PHE   5  23.434   7.147   3.336
   41    HZ   PHE   5           HZ       PHE   5  25.402   7.908   2.034
   42    H    ALA   6           HN       ALA   6  18.843   4.575  -0.222
   43    HA   ALA   6           HA       ALA   6  19.111   3.086   2.103
   44    HB1  ALA   6           HB1      ALA   6  16.965   4.059   1.185
   45    HB2  ALA   6           HB2      ALA   6  16.797   2.433   1.845
   46    HB3  ALA   6           HB3      ALA   6  16.873   2.671   0.100
   47    H    SER   7           HN       SER   7  18.837   1.826  -1.219
   48    HA   SER   7           HA       SER   7  18.845  -0.944  -0.461
   49    HB2  SER   7           HB2      SER   7  19.887   0.182  -3.065
   50    HB3  SER   7           HB1      SER   7  19.173  -1.413  -2.784
   51    HG   SER   7           HG       SER   7  17.956   1.150  -2.813
   52    H    MET   8           HN       MET   8  21.466   0.963  -1.985
   53    HA   MET   8           HA       MET   8  23.529  -0.916  -1.629
   54    HB2  MET   8           HB2      MET   8  23.369   2.018  -2.008
   55    HB3  MET   8           HB1      MET   8  24.851   1.448  -1.239
   56    HG2  MET   8           HG2      MET   8  25.479   0.157  -3.090
   57    HG3  MET   8           HG1      MET   8  23.816   0.020  -3.678
   58    HE1  MET   8           HE1      MET   8  26.396   2.687  -2.614
   59    HE2  MET   8           HE2      MET   8  26.735   3.523  -4.126
   60    HE3  MET   8           HE3      MET   8  27.164   1.823  -3.952
   61    H    LEU   9           HN       LEU   9  22.236   1.481   0.585
   62    HA   LEU   9           HA       LEU   9  24.107   1.069   2.705
   63    HB2  LEU   9           HB2      LEU   9  21.456   2.335   2.358
   64    HB3  LEU   9           HB1      LEU   9  21.766   1.724   3.982
   65    HG   LEU   9           HG       LEU   9  22.497   4.130   3.570
   66   HD11  LEU   9          HD11      LEU   9  23.525   2.273   5.212
   67   HD12  LEU   9          HD12      LEU   9  24.180   3.906   5.114
   68   HD13  LEU   9          HD13      LEU   9  24.960   2.590   4.236
   69   HD21  LEU   9          HD21      LEU   9  23.427   3.467   1.234
   70   HD22  LEU   9          HD22      LEU   9  24.845   2.906   2.119
   71   HD23  LEU   9          HD23      LEU   9  24.365   4.598   2.207
   72    H    CYS  10           HN       CYS  10  20.704  -0.044   2.649
   73    HA   CYS  10           HA       CYS  10  20.823  -1.978   4.629
   74    HB2  CYS  10           HB2      CYS  10  19.234  -1.654   2.151
   75    HB3  CYS  10           HB1      CYS  10  19.287  -3.294   2.803
   76    HG   CYS  10           HG       CYS  10  17.501  -2.410   4.301
   77    H    LEU  11           HN       LEU  11  22.013  -2.275   1.310
   78    HA   LEU  11           HA       LEU  11  22.778  -5.078   1.731
   79    HB2  LEU  11           HB2      LEU  11  22.733  -3.161  -0.537
   80    HB3  LEU  11           HB1      LEU  11  24.019  -4.361  -0.587
   81    HG   LEU  11           HG       LEU  11  22.099  -6.056   0.002
   82   HD11  LEU  11          HD11      LEU  11  20.512  -3.993   0.259
   83   HD12  LEU  11          HD12      LEU  11  19.910  -5.438  -0.552
   84   HD13  LEU  11          HD13      LEU  11  20.437  -4.049  -1.502
   85   HD21  LEU  11          HD21      LEU  11  23.416  -5.898  -2.149
   86   HD22  LEU  11          HD22      LEU  11  22.171  -4.807  -2.760
   87   HD23  LEU  11          HD23      LEU  11  21.761  -6.473  -2.355
   88    H    LEU  12           HN       LEU  12  24.868  -2.585   0.335
   89    HA   LEU  12           HA       LEU  12  27.294  -3.617   1.227
   90    HB2  LEU  12           HB2      LEU  12  26.493  -0.738   0.747
   91    HB3  LEU  12           HB1      LEU  12  28.151  -1.226   1.077
   92    HG   LEU  12           HG       LEU  12  26.470  -2.376  -1.169
   93   HD11  LEU  12          HD11      LEU  12  27.023   0.107  -1.365
   94   HD12  LEU  12          HD12      LEU  12  27.608  -0.918  -2.674
   95   HD13  LEU  12          HD13      LEU  12  28.720  -0.373  -1.420
   96   HD21  LEU  12          HD21      LEU  12  29.327  -2.682  -0.257
   97   HD22  LEU  12          HD22      LEU  12  28.909  -2.907  -1.954
   98   HD23  LEU  12          HD23      LEU  12  28.171  -3.931  -0.726
   99    H    ASN  13           HN       ASN  13  25.170  -1.351   2.964
  100    HA   ASN  13           HA       ASN  13  27.018  -0.888   5.114
  101    HB2  ASN  13           HB2      ASN  13  24.826   0.390   4.470
  102    HB3  ASN  13           HB1      ASN  13  24.046  -0.790   5.513
  103   HD21  ASN  13          HD21      ASN  13  27.163   1.013   5.758
  104   HD22  ASN  13          HD22      ASN  13  26.852   1.615   7.332
  105    H    SER  14           HN       SER  14  24.629  -3.378   4.507
  106    HA   SER  14           HA       SER  14  24.676  -4.297   7.268
  107    HB2  SER  14           HB2      SER  14  22.649  -4.510   5.919
  108    HB3  SER  14           HB1      SER  14  23.505  -5.517   4.751
  109    HG   SER  14           HG       SER  14  23.221  -6.137   7.515
  110    H    THR  15           HN       THR  15  26.230  -5.277   4.227
  111    HA   THR  15           HA       THR  15  27.475  -7.556   5.702
  112    HB   THR  15           HB       THR  15  26.803  -8.694   3.875
  113    HG1  THR  15           HG1      THR  15  29.028  -8.427   3.383
  114   HG21  THR  15          HG21      THR  15  26.607  -6.084   2.352
  115   HG22  THR  15          HG22      THR  15  25.291  -6.825   3.263
  116   HG23  THR  15          HG23      THR  15  25.947  -7.637   1.844
  117    H    VAL  16           HN       VAL  16  28.284  -4.550   4.085
  118    HA   VAL  16           HA       VAL  16  31.153  -5.124   4.699
  119    HB   VAL  16           HB       VAL  16  30.430  -3.671   2.170
  120   HG11  VAL  16          HG11      VAL  16  32.744  -3.641   2.614
  121   HG12  VAL  16          HG12      VAL  16  32.567  -4.997   1.502
  122   HG13  VAL  16          HG13      VAL  16  32.740  -5.292   3.230
  123   HG21  VAL  16          HG21      VAL  16  30.574  -5.914   0.996
  124   HG22  VAL  16          HG22      VAL  16  29.110  -5.683   1.950
  125   HG23  VAL  16          HG23      VAL  16  30.424  -6.678   2.577
  126    H    ASN  17           HN       ASN  17  30.539  -3.627   6.563
  127    HA   ASN  17           HA       ASN  17  31.605  -1.078   5.928
  128    HB2  ASN  17           HB2      ASN  17  28.859  -1.215   5.409
  129    HB3  ASN  17           HB1      ASN  17  28.989  -0.345   6.939
  130   HD21  ASN  17          HD21      ASN  17  31.717   0.673   6.260
  131   HD22  ASN  17          HD22      ASN  17  31.456   1.925   5.116
  132    HA   PRO  18           HA       PRO  18  30.005  -0.993  10.544
  133    HB2  PRO  18           HB2      PRO  18  29.623  -3.915  10.912
  134    HB3  PRO  18           HB1      PRO  18  28.670  -2.564  11.549
  135    HG2  PRO  18           HG2      PRO  18  27.827  -4.144   9.532
  136    HG3  PRO  18           HG1      PRO  18  27.350  -2.442   9.693
  137    HD2  PRO  18           HD2      PRO  18  29.213  -3.701   7.757
  138    HD3  PRO  18           HD1      PRO  18  28.295  -2.187   7.617
  139    H    ILE  19           HN       ILE  19  32.124  -2.907   8.777
  140    HA   ILE  19           HA       ILE  19  33.694  -3.866  11.014
  141    HB   ILE  19           HB       ILE  19  34.735  -3.812   8.202
  142   HG12  ILE  19          HG12      ILE  19  33.303  -6.221   8.518
  143   HG13  ILE  19          HG11      ILE  19  32.186  -4.958   9.030
  144   HG21  ILE  19          HG21      ILE  19  34.777  -5.909  10.394
  145   HG22  ILE  19          HG22      ILE  19  36.076  -4.762  10.073
  146   HG23  ILE  19          HG23      ILE  19  35.657  -5.978   8.867
  147   HD11  ILE  19          HD11      ILE  19  32.757  -3.719   6.897
  148   HD12  ILE  19          HD12      ILE  19  31.909  -5.247   6.654
  149   HD13  ILE  19          HD13      ILE  19  33.649  -5.152   6.387
  150    H    ILE  20           HN       ILE  20  34.480  -1.653   8.298
  151    HA   ILE  20           HA       ILE  20  35.990   0.027  10.219
  152    HB   ILE  20           HB       ILE  20  37.914   0.052   8.485
  153   HG12  ILE  20          HG12      ILE  20  36.172  -1.630   7.102
  154   HG13  ILE  20          HG11      ILE  20  37.882  -1.409   6.754
  155   HG21  ILE  20          HG21      ILE  20  38.177  -0.906  10.705
  156   HG22  ILE  20          HG22      ILE  20  38.923  -1.989   9.529
  157   HG23  ILE  20          HG23      ILE  20  37.346  -2.379  10.207
  158   HD11  ILE  20          HD11      ILE  20  36.853  -3.429   8.751
  159   HD12  ILE  20          HD12      ILE  20  38.478  -3.317   8.078
  160   HD13  ILE  20          HD13      ILE  20  37.130  -3.814   7.055
  161    H    TYR  21           HN       TYR  21  35.417  -0.300   6.683
  162    HA   TYR  21           HA       TYR  21  35.613   2.497   6.170
  163    HB2  TYR  21           HB2      TYR  21  33.909   1.326   4.209
  164    HB3  TYR  21           HB1      TYR  21  35.614   1.724   4.057
  165    HD1  TYR  21           HD2      TYR  21  37.348   0.021   4.441
  166    HD2  TYR  21           HD1      TYR  21  33.174  -0.936   4.770
  167    HE1  TYR  21           HE2      TYR  21  37.893  -2.397   4.359
  168    HE2  TYR  21           HE1      TYR  21  33.718  -3.352   4.689
  169    HH   TYR  21           HH       TYR  21  37.057  -4.496   4.737
  170    H    ALA  22           HN       ALA  22  33.583   1.574   8.292
  171    HA   ALA  22           HA       ALA  22  30.936   1.821   7.638
  172    HB1  ALA  22           HB1      ALA  22  32.494   2.836   9.982
  173    HB2  ALA  22           HB2      ALA  22  31.289   1.550   9.912
  174    HB3  ALA  22           HB3      ALA  22  30.782   3.238   9.850
  175    H    LEU  23           HN       LEU  23  30.808   3.195   5.727
  176    HA   LEU  23           HA       LEU  23  30.264   5.176   4.626
  177    HB2  LEU  23           HB2      LEU  23  29.417   5.883   7.447
  178    HB3  LEU  23           HB1      LEU  23  28.927   6.754   5.991
  179    HG   LEU  23           HG       LEU  23  28.543   3.823   5.875
  180   HD11  LEU  23          HD11      LEU  23  27.838   4.050   8.150
  181   HD12  LEU  23          HD12      LEU  23  26.363   4.063   7.183
  182   HD13  LEU  23          HD13      LEU  23  27.015   5.574   7.815
  183   HD21  LEU  23          HD21      LEU  23  27.803   5.490   4.141
  184   HD22  LEU  23          HD22      LEU  23  26.671   6.148   5.321
  185   HD23  LEU  23          HD23      LEU  23  26.488   4.488   4.756
  186    H    ARG  24           HN       ARG  24  33.004   4.988   5.942
  187    HA   ARG  24           HA       ARG  24  33.546   7.914   5.679
  188    HB2  ARG  24           HB2      ARG  24  35.768   7.114   7.011
  189    HB3  ARG  24           HB1      ARG  24  34.354   7.779   7.816
  190    HG2  ARG  24           HG2      ARG  24  33.610   5.186   7.744
  191    HG3  ARG  24           HG1      ARG  24  35.358   4.972   7.748
  192    HD2  ARG  24           HD2      ARG  24  34.348   5.039  10.048
  193    HD3  ARG  24           HD1      ARG  24  35.576   6.269   9.778
  194    HE   ARG  24           HE       ARG  24  33.825   7.951   9.654
  195   HH11  ARG  24          HH21      ARG  24  32.746   4.733  10.368
  196   HH12  ARG  24          HH22      ARG  24  31.217   5.244  10.993
  197   HH21  ARG  24          HH11      ARG  24  31.831   8.618  10.476
  198   HH22  ARG  24          HH12      ARG  24  30.703   7.445  11.068
  199    H    SER  25           HN       SER  25  35.884   5.285   5.914
  200    HA   SER  25           HA       SER  25  37.164   6.053   3.452
  201    HB2  SER  25           HB2      SER  25  37.986   3.459   3.958
  202    HB3  SER  25           HB1      SER  25  38.746   4.921   4.599
  203    HG   SER  25           HG       SER  25  38.151   4.213   6.482
  204    H    LYS  26           HN       LYS  26  34.234   4.549   3.912
  205    HA   LYS  26           HA       LYS  26  34.072   2.316   2.294
  206    HB2  LYS  26           HB2      LYS  26  32.240   4.378   3.126
  207    HB3  LYS  26           HB1      LYS  26  31.941   4.002   1.430
  208    HG2  LYS  26           HG2      LYS  26  32.148   1.924   3.621
  209    HG3  LYS  26           HG1      LYS  26  30.627   2.569   3.014
  210    HD2  LYS  26           HD2      LYS  26  30.761   1.393   1.053
  211    HD3  LYS  26           HD1      LYS  26  32.518   1.551   0.958
  212    HE2  LYS  26           HE2      LYS  26  32.724  -0.545   1.760
  213    HE3  LYS  26           HE1      LYS  26  31.966  -0.022   3.258
  214    HZ1  LYS  26           HZ1      LYS  26  29.807  -0.284   1.819
  215    HZ2  LYS  26           HZ2      LYS  26  30.501  -1.610   2.630
  216    HZ3  LYS  26           HZ3      LYS  26  30.777  -1.381   0.961
  217    H    ASP  27           HN       ASP  27  33.931   5.671   1.141
  218    HA   ASP  27           HA       ASP  27  33.747   5.344  -1.594
  219    HB2  ASP  27           HB2      ASP  27  33.931   7.549  -0.530
  220    HB3  ASP  27           HB1      ASP  27  35.625   7.231  -0.135
  221    H    LEU  28           HN       LEU  28  36.854   5.363   0.181
  222    HA   LEU  28           HA       LEU  28  38.335   4.530  -2.156
  223    HB2  LEU  28           HB2      LEU  28  38.947   4.958   0.737
  224    HB3  LEU  28           HB1      LEU  28  40.059   3.950  -0.190
  225    HG   LEU  28           HG       LEU  28  40.737   6.338  -0.210
  226   HD11  LEU  28          HD11      LEU  28  39.799   5.815  -3.001
  227   HD12  LEU  28          HD12      LEU  28  40.879   4.636  -2.256
  228   HD13  LEU  28          HD13      LEU  28  41.388   6.316  -2.423
  229   HD21  LEU  28          HD21      LEU  28  39.339   7.936  -1.500
  230   HD22  LEU  28          HD22      LEU  28  38.526   7.364  -0.044
  231   HD23  LEU  28          HD23      LEU  28  38.081   6.712  -1.622
  232    H    ARG  29           HN       ARG  29  37.024   2.850   0.660
  233    HA   ARG  29           HA       ARG  29  38.275   0.459   0.701
  234    HB2  ARG  29           HB2      ARG  29  36.331   0.906   2.087
  235    HB3  ARG  29           HB1      ARG  29  35.261   0.777   0.687
  236    HG2  ARG  29           HG2      ARG  29  37.088  -1.523   1.154
  237    HG3  ARG  29           HG1      ARG  29  35.803  -1.310   2.337
  238    HD2  ARG  29           HD2      ARG  29  34.237  -2.062   0.894
  239    HD3  ARG  29           HD1      ARG  29  34.793  -0.973  -0.375
  240    HE   ARG  29           HE       ARG  29  35.784  -2.859  -1.348
  241   HH11  ARG  29          HH21      ARG  29  35.719  -3.161   2.103
  242   HH12  ARG  29          HH22      ARG  29  36.392  -4.755   2.106
  243   HH21  ARG  29          HH11      ARG  29  36.631  -4.945  -1.348
  244   HH22  ARG  29          HH12      ARG  29  36.897  -5.767   0.155
  245    H    HIS  30           HN       HIS  30  35.651   1.105  -1.666
  246    HA   HIS  30           HA       HIS  30  36.393  -1.378  -3.086
  247    HB2  HIS  30           HB2      HIS  30  34.527  -0.819  -4.598
  248    HB3  HIS  30           HB1      HIS  30  34.009  -0.812  -2.908
  249    HD1  HIS  30           HD1      HIS  30  34.161   1.319  -5.901
  250    HD2  HIS  30           HD2      HIS  30  33.878   1.927  -1.775
  251    HE1  HIS  30           HE1      HIS  30  33.448   3.731  -5.573
  252    HE2  HIS  30           HE2      HIS  30  33.294   4.119  -3.072
  253    H    ALA  31           HN       ALA  31  36.463   2.139  -3.632
  254    HA   ALA  31           HA       ALA  31  37.691   2.116  -6.212
  255    HB1  ALA  31           HB1      ALA  31  38.193   4.361  -5.838
  256    HB2  ALA  31           HB2      ALA  31  38.545   4.105  -4.131
  257    HB3  ALA  31           HB3      ALA  31  36.873   4.126  -4.692
  258    H    PHE  32           HN       PHE  32  38.696   0.932  -3.251
  259    HA   PHE  32           HA       PHE  32  41.569   0.956  -4.024
  260    HB2  PHE  32           HB2      PHE  32  41.000   1.837  -1.761
  261    HB3  PHE  32           HB1      PHE  32  40.246   0.295  -1.386
  262    HD1  PHE  32           HD1      PHE  32  43.492   1.551  -2.798
  263    HD2  PHE  32           HD2      PHE  32  41.529  -1.224  -0.173
  264    HE1  PHE  32           HE1      PHE  32  45.694   0.644  -2.111
  265    HE2  PHE  32           HE2      PHE  32  43.732  -2.133   0.513
  266    HZ   PHE  32           HZ       PHE  32  45.814  -1.200  -0.460
  267    H    ARG  33           HN       ARG  33  39.297  -1.196  -2.332
  268    HA   ARG  33           HA       ARG  33  40.648  -3.603  -3.211
  269    HB2  ARG  33           HB2      ARG  33  37.937  -3.122  -1.945
  270    HB3  ARG  33           HB1      ARG  33  38.595  -4.723  -2.258
  271    HG2  ARG  33           HG2      ARG  33  40.360  -2.814  -0.815
  272    HG3  ARG  33           HG1      ARG  33  38.973  -3.431   0.082
  273    HD2  ARG  33           HD2      ARG  33  40.958  -4.869   0.410
  274    HD3  ARG  33           HD1      ARG  33  39.662  -5.743  -0.400
  275    HE   ARG  33           HE       ARG  33  40.898  -5.369  -2.549
  276   HH11  ARG  33          HH21      ARG  33  42.557  -4.974   0.483
  277   HH12  ARG  33          HH22      ARG  33  44.128  -5.164  -0.217
  278   HH21  ARG  33          HH11      ARG  33  42.942  -5.615  -3.445
  279   HH22  ARG  33          HH12      ARG  33  44.344  -5.534  -2.433
  280    H    SER  34           HN       SER  34  40.121  -2.142  -5.510
  281    HA   SER  34           HA       SER  34  38.931  -4.009  -7.211
  282    HB2  SER  34           HB2      SER  34  36.978  -2.258  -5.850
  283    HB3  SER  34           HB1      SER  34  36.777  -2.385  -7.605
  284    HG   SER  34           HG       SER  34  37.035  -4.552  -5.764
  285    H    MET  35           HN       MET  35  39.644  -0.641  -6.540
  286    HA   MET  35           HA       MET  35  39.966  -0.218  -9.482
  287    HB2  MET  35           HB2      MET  35  39.199   1.730  -7.297
  288    HB3  MET  35           HB1      MET  35  39.588   2.213  -8.950
  289    HG2  MET  35           HG2      MET  35  37.322   0.406  -8.050
  290    HG3  MET  35           HG1      MET  35  37.185   1.998  -8.813
  291    HE1  MET  35           HE1      MET  35  35.841  -0.914 -11.055
  292    HE2  MET  35           HE2      MET  35  35.796  -0.491  -9.345
  293    HE3  MET  35           HE3      MET  35  36.815  -1.821  -9.891
  294    H    PHE  36           HN       PHE  36  41.245   0.946  -6.320
  295    HA   PHE  36           HA       PHE  36  43.511   2.241  -7.288
  296    HB2  PHE  36           HB2      PHE  36  42.822   2.014  -4.846
  297    HB3  PHE  36           HB1      PHE  36  43.645   0.448  -4.859
  298    HD1  PHE  36           HD1      PHE  36  44.160   4.074  -5.654
  299    HD2  PHE  36           HD2      PHE  36  45.978   0.339  -4.546
  300    HE1  PHE  36           HE1      PHE  36  46.338   5.221  -5.346
  301    HE2  PHE  36           HE2      PHE  36  48.149   1.489  -4.235
  302    HZ   PHE  36           HZ       PHE  36  48.333   3.929  -4.638
  303    HA   PRO  37           HA       PRO  37  45.378  -1.295  -9.338
  304    HB2  PRO  37           HB2      PRO  37  47.209   0.066 -10.747
  305    HB3  PRO  37           HB1      PRO  37  45.478   0.235 -11.127
  306    HG2  PRO  37           HG2      PRO  37  47.207   2.008  -9.431
  307    HG3  PRO  37           HG1      PRO  37  46.137   2.445 -10.758
  308    HD2  PRO  37           HD2      PRO  37  45.332   2.654  -8.185
  309    HD3  PRO  37           HD1      PRO  37  44.187   2.192  -9.473
  310    H    SER  38           HN       SER  38  47.093   1.197  -7.545
  311    HA   SER  38           HA       SER  38  48.995   1.063  -6.179
  312    HB2  SER  38           HB2      SER  38  47.689  -1.406  -6.025
  313    HB3  SER  38           HB1      SER  38  49.383  -1.816  -6.319
  314    HG   SER  38           HG       SER  38  49.878  -1.098  -4.393
  315    H    ALA  39           HN       ALA  39  49.079   1.309  -9.060
  316    HA   ALA  39           HA       ALA  39  51.582  -0.105  -9.802
  317    HB1  ALA  39           HB1      ALA  39  49.602   0.101 -11.418
  318    HB2  ALA  39           HB2      ALA  39  51.168   0.615 -12.043
  319    HB3  ALA  39           HB3      ALA  39  49.992   1.819 -11.513
  320    H    GLU  40           HN       GLU  40  52.356   2.179 -11.566
  321    HA   GLU  40           HA       GLU  40  53.821   3.743  -9.586
  322    HB2  GLU  40           HB2      GLU  40  53.514   4.614 -12.444
  323    HB3  GLU  40           HB1      GLU  40  54.923   4.733 -11.393
  324    HG2  GLU  40           HG2      GLU  40  55.678   2.902 -12.495
  325    HG3  GLU  40           HG1      GLU  40  54.510   2.003 -11.527
  Start of MODEL   16
    1    H1   THR   1           HT1      THR   1  20.474   9.697  -5.206
    2    H2   THR   1           HT2      THR   1  19.051   9.944  -6.092
    3    H3   THR   1           HT3      THR   1  20.527   9.712  -6.898
    4    HA   THR   1           HA       THR   1  18.796   7.772  -6.614
    5    HB   THR   1           HB       THR   1  21.547   6.840  -6.128
    6    HG1  THR   1           HG1      THR   1  22.532   8.240  -7.331
    7   HG21  THR   1          HG21      THR   1  21.170   5.682  -8.210
    8   HG22  THR   1          HG22      THR   1  19.827   6.749  -8.623
    9   HG23  THR   1          HG23      THR   1  19.664   5.603  -7.294
   10    H    VAL   2           HN       VAL   2  18.413   8.953  -4.123
   11    HA   VAL   2           HA       VAL   2  19.657   7.811  -1.888
   12    HB   VAL   2           HB       VAL   2  17.435   8.097  -0.730
   13   HG11  VAL   2          HG11      VAL   2  19.196   9.996  -1.728
   14   HG12  VAL   2          HG12      VAL   2  17.934  10.293  -0.533
   15   HG13  VAL   2          HG13      VAL   2  17.620  10.599  -2.240
   16   HG21  VAL   2          HG21      VAL   2  15.804   9.439  -2.360
   17   HG22  VAL   2          HG22      VAL   2  15.732   7.680  -2.257
   18   HG23  VAL   2          HG23      VAL   2  16.593   8.452  -3.587
   19    H    PHE   3           HN       PHE   3  17.021   6.439  -3.858
   20    HA   PHE   3           HA       PHE   3  16.607   4.106  -2.272
   21    HB2  PHE   3           HB2      PHE   3  15.631   3.116  -4.326
   22    HB3  PHE   3           HB1      PHE   3  15.029   4.746  -4.031
   23    HD1  PHE   3           HD2      PHE   3  15.877   6.659  -5.391
   24    HD2  PHE   3           HD1      PHE   3  16.994   2.592  -6.232
   25    HE1  PHE   3           HE2      PHE   3  16.669   7.337  -7.643
   26    HE2  PHE   3           HE1      PHE   3  17.780   3.275  -8.480
   27    HZ   PHE   3           HZ       PHE   3  17.622   5.648  -9.183
   28    H    ALA   4           HN       ALA   4  18.747   4.636  -5.082
   29    HA   ALA   4           HA       ALA   4  19.913   2.018  -5.070
   30    HB1  ALA   4           HB1      ALA   4  21.165   4.673  -5.851
   31    HB2  ALA   4           HB2      ALA   4  20.276   3.600  -6.932
   32    HB3  ALA   4           HB3      ALA   4  21.819   3.084  -6.251
   33    H    PHE   5           HN       PHE   5  20.690   5.018  -3.351
   34    HA   PHE   5           HA       PHE   5  23.022   4.148  -1.962
   35    HB2  PHE   5           HB2      PHE   5  21.064   6.298  -1.733
   36    HB3  PHE   5           HB1      PHE   5  21.573   5.721  -0.149
   37    HD1  PHE   5           HD2      PHE   5  23.146   6.408  -3.497
   38    HD2  PHE   5           HD1      PHE   5  23.421   6.794   0.775
   39    HE1  PHE   5           HE2      PHE   5  25.283   7.643  -3.743
   40    HE2  PHE   5           HE1      PHE   5  25.555   8.028   0.524
   41    HZ   PHE   5           HZ       PHE   5  26.486   8.452  -1.732
   42    H    ALA   6           HN       ALA   6  19.634   4.139  -0.791
   43    HA   ALA   6           HA       ALA   6  20.064   2.611   1.540
   44    HB1  ALA   6           HB1      ALA   6  17.880   3.726   0.551
   45    HB2  ALA   6           HB2      ALA   6  17.753   2.329   1.619
   46    HB3  ALA   6           HB3      ALA   6  17.614   2.119  -0.127
   47    H    SER   7           HN       SER   7  19.724   1.585  -1.817
   48    HA   SER   7           HA       SER   7  19.554  -1.241  -1.278
   49    HB2  SER   7           HB2      SER   7  20.746   0.012  -3.755
   50    HB3  SER   7           HB1      SER   7  19.909  -1.538  -3.610
   51    HG   SER   7           HG       SER   7  18.783   1.067  -3.220
   52    H    MET   8           HN       MET   8  22.310   0.637  -2.579
   53    HA   MET   8           HA       MET   8  24.239  -1.406  -2.223
   54    HB2  MET   8           HB2      MET   8  24.249   1.465  -2.809
   55    HB3  MET   8           HB1      MET   8  25.643   0.968  -1.847
   56    HG2  MET   8           HG2      MET   8  26.373  -0.578  -3.475
   57    HG3  MET   8           HG1      MET   8  24.786  -0.628  -4.260
   58    HE1  MET   8           HE1      MET   8  27.468   1.821  -3.049
   59    HE2  MET   8           HE2      MET   8  28.003   2.630  -4.518
   60    HE3  MET   8           HE3      MET   8  28.315   0.909  -4.308
   61    H    LEU   9           HN       LEU   9  22.958   0.992  -0.029
   62    HA   LEU   9           HA       LEU   9  24.869   0.581   2.086
   63    HB2  LEU   9           HB2      LEU   9  22.188   1.849   1.784
   64    HB3  LEU   9           HB1      LEU   9  22.640   1.347   3.410
   65    HG   LEU   9           HG       LEU   9  24.631   2.865   1.756
   66   HD11  LEU   9          HD11      LEU   9  22.274   4.059   3.239
   67   HD12  LEU   9          HD12      LEU   9  22.663   4.244   1.528
   68   HD13  LEU   9          HD13      LEU   9  23.697   4.980   2.753
   69   HD21  LEU   9          HD21      LEU   9  25.170   1.848   4.007
   70   HD22  LEU   9          HD22      LEU   9  23.986   2.943   4.721
   71   HD23  LEU   9          HD23      LEU   9  25.421   3.591   3.925
   72    H    CYS  10           HN       CYS  10  21.514  -0.602   1.673
   73    HA   CYS  10           HA       CYS  10  21.510  -2.514   3.750
   74    HB2  CYS  10           HB2      CYS  10  20.133  -2.366   1.074
   75    HB3  CYS  10           HB1      CYS  10  19.944  -3.798   2.090
   76    HG   CYS  10           HG       CYS  10  19.230  -0.955   3.189
   77    H    LEU  11           HN       LEU  11  22.865  -2.671   0.502
   78    HA   LEU  11           HA       LEU  11  23.472  -5.512   0.700
   79    HB2  LEU  11           HB2      LEU  11  23.192  -3.769  -1.384
   80    HB3  LEU  11           HB1      LEU  11  24.947  -3.882  -1.279
   81    HG   LEU  11           HG       LEU  11  24.651  -6.419  -1.225
   82   HD11  LEU  11          HD11      LEU  11  22.478  -6.994  -0.816
   83   HD12  LEU  11          HD12      LEU  11  22.323  -6.833  -2.565
   84   HD13  LEU  11          HD13      LEU  11  21.847  -5.500  -1.512
   85   HD21  LEU  11          HD21      LEU  11  23.669  -6.107  -3.816
   86   HD22  LEU  11          HD22      LEU  11  25.361  -6.030  -3.335
   87   HD23  LEU  11          HD23      LEU  11  24.413  -4.549  -3.458
   88    H    LEU  12           HN       LEU  12  25.694  -2.748   0.245
   89    HA   LEU  12           HA       LEU  12  27.983  -4.244   1.059
   90    HB2  LEU  12           HB2      LEU  12  27.400  -1.371   0.484
   91    HB3  LEU  12           HB1      LEU  12  28.895  -1.760   1.332
   92    HG   LEU  12           HG       LEU  12  28.150  -3.303  -1.139
   93   HD11  LEU  12          HD11      LEU  12  29.532  -0.602  -1.070
   94   HD12  LEU  12          HD12      LEU  12  27.959  -0.941  -1.788
   95   HD13  LEU  12          HD13      LEU  12  29.416  -1.647  -2.485
   96   HD21  LEU  12          HD21      LEU  12  30.556  -3.580  -1.304
   97   HD22  LEU  12          HD22      LEU  12  30.068  -3.966   0.345
   98   HD23  LEU  12          HD23      LEU  12  30.821  -2.411  -0.011
   99    H    ASN  13           HN       ASN  13  25.660  -2.370   2.893
  100    HA   ASN  13           HA       ASN  13  27.489  -2.020   5.153
  101    HB2  ASN  13           HB2      ASN  13  25.417  -0.532   4.416
  102    HB3  ASN  13           HB1      ASN  13  24.550  -1.634   5.473
  103   HD21  ASN  13          HD21      ASN  13  27.836  -0.148   5.689
  104   HD22  ASN  13          HD22      ASN  13  27.602   0.460   7.273
  105    H    SER  14           HN       SER  14  24.349  -3.643   4.815
  106    HA   SER  14           HA       SER  14  24.565  -4.878   7.375
  107    HB2  SER  14           HB2      SER  14  22.806  -6.323   5.587
  108    HB3  SER  14           HB1      SER  14  22.409  -5.295   6.966
  109    HG   SER  14           HG       SER  14  22.542  -4.692   4.246
  110    H    THR  15           HN       THR  15  26.372  -5.447   4.729
  111    HA   THR  15           HA       THR  15  26.659  -8.366   5.263
  112    HB   THR  15           HB       THR  15  27.978  -8.303   3.120
  113    HG1  THR  15           HG1      THR  15  26.890  -5.938   2.336
  114   HG21  THR  15          HG21      THR  15  25.964  -7.912   1.669
  115   HG22  THR  15          HG22      THR  15  25.128  -7.295   3.095
  116   HG23  THR  15          HG23      THR  15  25.655  -8.977   3.040
  117    H    VAL  16           HN       VAL  16  29.071  -6.234   3.895
  118    HA   VAL  16           HA       VAL  16  30.872  -6.877   6.207
  119    HB   VAL  16           HB       VAL  16  31.896  -5.849   3.595
  120   HG11  VAL  16          HG11      VAL  16  33.805  -7.236   4.150
  121   HG12  VAL  16          HG12      VAL  16  32.910  -8.022   5.451
  122   HG13  VAL  16          HG13      VAL  16  33.360  -6.322   5.590
  123   HG21  VAL  16          HG21      VAL  16  30.353  -7.547   2.829
  124   HG22  VAL  16          HG22      VAL  16  30.893  -8.668   4.080
  125   HG23  VAL  16          HG23      VAL  16  31.978  -8.228   2.761
  126    H    ASN  17           HN       ASN  17  30.117  -5.106   7.453
  127    HA   ASN  17           HA       ASN  17  31.477  -2.627   6.753
  128    HB2  ASN  17           HB2      ASN  17  28.893  -2.917   5.836
  129    HB3  ASN  17           HB1      ASN  17  28.678  -2.004   7.333
  130   HD21  ASN  17          HD21      ASN  17  31.440  -0.865   7.080
  131   HD22  ASN  17          HD22      ASN  17  31.300   0.372   5.907
  132    HA   PRO  18           HA       PRO  18  29.527  -2.282  11.160
  133    HB2  PRO  18           HB2      PRO  18  28.831  -5.075  11.794
  134    HB3  PRO  18           HB1      PRO  18  27.867  -3.604  12.007
  135    HG2  PRO  18           HG2      PRO  18  27.326  -5.477  10.140
  136    HG3  PRO  18           HG1      PRO  18  26.929  -3.758   9.938
  137    HD2  PRO  18           HD2      PRO  18  29.140  -5.358   8.722
  138    HD3  PRO  18           HD1      PRO  18  28.231  -3.991   8.041
  139    H    ILE  19           HN       ILE  19  31.884  -3.860   9.754
  140    HA   ILE  19           HA       ILE  19  33.092  -4.999  12.189
  141    HB   ILE  19           HB       ILE  19  34.350  -5.081   9.453
  142   HG12  ILE  19          HG12      ILE  19  32.761  -7.444  10.177
  143   HG13  ILE  19          HG11      ILE  19  31.767  -6.019   9.885
  144   HG21  ILE  19          HG21      ILE  19  34.383  -6.891  11.880
  145   HG22  ILE  19          HG22      ILE  19  35.704  -5.885  11.291
  146   HG23  ILE  19          HG23      ILE  19  35.168  -7.273  10.348
  147   HD11  ILE  19          HD11      ILE  19  32.709  -5.707   7.697
  148   HD12  ILE  19          HD12      ILE  19  32.262  -7.410   7.828
  149   HD13  ILE  19          HD13      ILE  19  33.949  -6.926   7.998
  150    H    ILE  20           HN       ILE  20  34.417  -3.196   9.403
  151    HA   ILE  20           HA       ILE  20  35.668  -1.279  11.330
  152    HB   ILE  20           HB       ILE  20  37.201  -1.908   8.859
  153   HG12  ILE  20          HG12      ILE  20  38.265  -3.812  10.450
  154   HG13  ILE  20          HG11      ILE  20  36.582  -3.947  10.949
  155   HG21  ILE  20          HG21      ILE  20  39.019  -1.308  10.173
  156   HG22  ILE  20          HG22      ILE  20  38.258  -1.858  11.665
  157   HG23  ILE  20          HG23      ILE  20  37.735  -0.351  10.913
  158   HD11  ILE  20          HD11      ILE  20  37.788  -4.360   8.227
  159   HD12  ILE  20          HD12      ILE  20  36.084  -3.944   8.387
  160   HD13  ILE  20          HD13      ILE  20  36.705  -5.420   9.126
  161    H    TYR  21           HN       TYR  21  34.651  -1.938   8.002
  162    HA   TYR  21           HA       TYR  21  35.049   0.737   7.065
  163    HB2  TYR  21           HB2      TYR  21  33.026  -1.111   5.838
  164    HB3  TYR  21           HB1      TYR  21  34.117   0.023   5.057
  165    HD1  TYR  21           HD2      TYR  21  36.731  -0.489   5.986
  166    HD2  TYR  21           HD1      TYR  21  33.579  -3.334   5.316
  167    HE1  TYR  21           HE2      TYR  21  38.410  -2.283   5.683
  168    HE2  TYR  21           HE1      TYR  21  35.264  -5.123   5.010
  169    HH   TYR  21           HH       TYR  21  37.614  -5.571   5.666
  170    H    ALA  22           HN       ALA  22  32.907  -0.406   9.287
  171    HA   ALA  22           HA       ALA  22  30.720   0.227   9.978
  172    HB1  ALA  22           HB1      ALA  22  30.838   2.762  10.475
  173    HB2  ALA  22           HB2      ALA  22  32.474   2.671   9.822
  174    HB3  ALA  22           HB3      ALA  22  32.036   1.718  11.239
  175    H    LEU  23           HN       LEU  23  31.336   3.189   8.224
  176    HA   LEU  23           HA       LEU  23  29.374   2.525   6.124
  177    HB2  LEU  23           HB2      LEU  23  28.927   4.663   8.230
  178    HB3  LEU  23           HB1      LEU  23  28.131   4.710   6.655
  179    HG   LEU  23           HG       LEU  23  27.715   2.101   7.486
  180   HD11  LEU  23          HD11      LEU  23  28.588   3.027   9.763
  181   HD12  LEU  23          HD12      LEU  23  27.110   2.064   9.751
  182   HD13  LEU  23          HD13      LEU  23  27.015   3.822   9.851
  183   HD21  LEU  23          HD21      LEU  23  25.379   2.834   7.820
  184   HD22  LEU  23          HD22      LEU  23  26.078   3.593   6.390
  185   HD23  LEU  23          HD23      LEU  23  25.917   4.512   7.885
  186    H    ARG  24           HN       ARG  24  31.217   5.173   7.650
  187    HA   ARG  24           HA       ARG  24  31.617   6.496   5.079
  188    HB2  ARG  24           HB2      ARG  24  33.294   7.872   6.552
  189    HB3  ARG  24           HB1      ARG  24  31.560   8.042   6.824
  190    HG2  ARG  24           HG2      ARG  24  31.622   6.603   8.740
  191    HG3  ARG  24           HG1      ARG  24  33.265   6.072   8.373
  192    HD2  ARG  24           HD2      ARG  24  32.647   8.980   8.874
  193    HD3  ARG  24           HD1      ARG  24  32.959   7.880  10.212
  194    HE   ARG  24           HE       ARG  24  34.929   8.825   8.244
  195   HH11  ARG  24          HH21      ARG  24  34.040   6.511  10.659
  196   HH12  ARG  24          HH22      ARG  24  35.675   6.076  11.029
  197   HH21  ARG  24          HH11      ARG  24  37.060   8.262   8.707
  198   HH22  ARG  24          HH12      ARG  24  37.391   7.061   9.911
  199    H    SER  25           HN       SER  25  33.604   4.519   7.266
  200    HA   SER  25           HA       SER  25  36.054   4.840   5.832
  201    HB2  SER  25           HB2      SER  25  36.231   2.310   6.887
  202    HB3  SER  25           HB1      SER  25  36.600   3.791   7.771
  203    HG   SER  25           HG       SER  25  35.030   2.300   8.766
  204    H    LYS  26           HN       LYS  26  33.170   3.071   5.107
  205    HA   LYS  26           HA       LYS  26  34.155   1.008   3.436
  206    HB2  LYS  26           HB2      LYS  26  31.629   2.451   3.754
  207    HB3  LYS  26           HB1      LYS  26  31.925   2.002   2.076
  208    HG2  LYS  26           HG2      LYS  26  32.142   0.081   4.403
  209    HG3  LYS  26           HG1      LYS  26  30.704   0.245   3.398
  210    HD2  LYS  26           HD2      LYS  26  31.803  -0.610   1.488
  211    HD3  LYS  26           HD1      LYS  26  33.404  -0.310   2.168
  212    HE2  LYS  26           HE2      LYS  26  33.078  -2.652   2.400
  213    HE3  LYS  26           HE1      LYS  26  32.769  -1.994   3.998
  214    HZ1  LYS  26           HZ1      LYS  26  30.974  -3.372   3.674
  215    HZ2  LYS  26           HZ2      LYS  26  30.841  -3.003   2.018
  216    HZ3  LYS  26           HZ3      LYS  26  30.344  -1.872   3.186
  217    H    ASP  27           HN       ASP  27  33.838   4.454   2.911
  218    HA   ASP  27           HA       ASP  27  34.277   4.699   0.151
  219    HB2  ASP  27           HB2      ASP  27  33.922   6.665   1.491
  220    HB3  ASP  27           HB1      ASP  27  35.339   6.308   2.479
  221    H    LEU  28           HN       LEU  28  36.812   4.641   2.664
  222    HA   LEU  28           HA       LEU  28  38.986   4.332   0.837
  223    HB2  LEU  28           HB2      LEU  28  38.630   3.810   3.786
  224    HB3  LEU  28           HB1      LEU  28  40.120   3.324   2.972
  225    HG   LEU  28           HG       LEU  28  40.314   5.594   3.966
  226   HD11  LEU  28          HD11      LEU  28  41.508   6.457   2.182
  227   HD12  LEU  28          HD12      LEU  28  40.235   6.096   1.017
  228   HD13  LEU  28          HD13      LEU  28  41.284   4.806   1.604
  229   HD21  LEU  28          HD21      LEU  28  37.843   6.130   3.607
  230   HD22  LEU  28          HD22      LEU  28  38.247   6.451   1.919
  231   HD23  LEU  28          HD23      LEU  28  38.967   7.428   3.199
  232    H    ARG  29           HN       ARG  29  36.535   2.147   1.646
  233    HA   ARG  29           HA       ARG  29  38.265  -0.228   1.299
  234    HB2  ARG  29           HB2      ARG  29  36.570  -0.310   3.062
  235    HB3  ARG  29           HB1      ARG  29  35.300   0.010   1.879
  236    HG2  ARG  29           HG2      ARG  29  35.206  -2.322   2.057
  237    HG3  ARG  29           HG1      ARG  29  36.258  -2.110   0.661
  238    HD2  ARG  29           HD2      ARG  29  37.683  -2.070   3.229
  239    HD3  ARG  29           HD1      ARG  29  36.871  -3.602   2.891
  240    HE   ARG  29           HE       ARG  29  38.339  -2.725   0.577
  241   HH11  ARG  29          HH21      ARG  29  38.644  -4.060   3.762
  242   HH12  ARG  29          HH22      ARG  29  40.144  -4.856   3.427
  243   HH21  ARG  29          HH11      ARG  29  40.295  -3.803   0.124
  244   HH22  ARG  29          HH12      ARG  29  41.071  -4.725   1.366
  245    H    HIS  30           HN       HIS  30  35.039   0.599  -0.052
  246    HA   HIS  30           HA       HIS  30  35.484  -1.082  -2.332
  247    HB2  HIS  30           HB2      HIS  30  33.498   0.085  -3.333
  248    HB3  HIS  30           HB1      HIS  30  33.196  -0.571  -1.720
  249    HD1  HIS  30           HD1      HIS  30  33.781   2.686  -3.539
  250    HD2  HIS  30           HD2      HIS  30  32.689   1.374   0.278
  251    HE1  HIS  30           HE1      HIS  30  33.007   4.737  -2.266
  252    HE2  HIS  30           HE2      HIS  30  32.335   3.955   0.053
  253    H    ALA  31           HN       ALA  31  35.835   2.426  -1.841
  254    HA   ALA  31           HA       ALA  31  36.594   3.059  -4.527
  255    HB1  ALA  31           HB1      ALA  31  36.207   4.629  -2.444
  256    HB2  ALA  31           HB2      ALA  31  37.381   5.094  -3.674
  257    HB3  ALA  31           HB3      ALA  31  37.928   4.365  -2.165
  258    H    PHE  32           HN       PHE  32  38.576   2.181  -1.687
  259    HA   PHE  32           HA       PHE  32  41.072   2.030  -3.000
  260    HB2  PHE  32           HB2      PHE  32  40.895   1.861  -0.603
  261    HB3  PHE  32           HB1      PHE  32  39.927   0.397  -0.742
  262    HD1  PHE  32           HD2      PHE  32  43.307   1.808  -1.514
  263    HD2  PHE  32           HD1      PHE  32  40.958  -1.715  -0.796
  264    HE1  PHE  32           HE2      PHE  32  45.375   0.438  -1.466
  265    HE2  PHE  32           HE1      PHE  32  43.025  -3.085  -0.745
  266    HZ   PHE  32           HZ       PHE  32  45.233  -2.011  -1.083
  267    H    ARG  33           HN       ARG  33  38.597  -0.479  -2.576
  268    HA   ARG  33           HA       ARG  33  40.055  -2.480  -4.068
  269    HB2  ARG  33           HB2      ARG  33  37.197  -2.194  -3.159
  270    HB3  ARG  33           HB1      ARG  33  37.734  -3.582  -4.107
  271    HG2  ARG  33           HG2      ARG  33  39.535  -2.973  -1.890
  272    HG3  ARG  33           HG1      ARG  33  37.897  -3.335  -1.338
  273    HD2  ARG  33           HD2      ARG  33  39.390  -5.364  -1.550
  274    HD3  ARG  33           HD1      ARG  33  37.907  -5.460  -2.490
  275    HE   ARG  33           HE       ARG  33  40.619  -4.911  -3.623
  276   HH11  ARG  33          HH21      ARG  33  37.258  -5.725  -3.977
  277   HH12  ARG  33          HH22      ARG  33  37.432  -6.244  -5.617
  278   HH21  ARG  33          HH11      ARG  33  40.844  -5.567  -5.755
  279   HH22  ARG  33          HH12      ARG  33  39.463  -6.141  -6.633
  280    H    SER  34           HN       SER  34  37.952   0.100  -4.963
  281    HA   SER  34           HA       SER  34  37.627  -1.084  -7.678
  282    HB2  SER  34           HB2      SER  34  35.692  -0.462  -5.920
  283    HB3  SER  34           HB1      SER  34  35.860   1.101  -6.725
  284    HG   SER  34           HG       SER  34  34.898   0.275  -8.409
  285    H    MET  35           HN       MET  35  39.426   1.181  -6.130
  286    HA   MET  35           HA       MET  35  39.705   2.825  -8.596
  287    HB2  MET  35           HB2      MET  35  39.248   3.867  -5.777
  288    HB3  MET  35           HB1      MET  35  39.925   4.860  -7.071
  289    HG2  MET  35           HG2      MET  35  37.361   3.374  -7.562
  290    HG3  MET  35           HG1      MET  35  37.326   4.882  -6.640
  291    HE1  MET  35           HE1      MET  35  36.605   3.432  -9.633
  292    HE2  MET  35           HE2      MET  35  38.263   3.246 -10.197
  293    HE3  MET  35           HE3      MET  35  37.189   4.384 -11.003
  294    H    PHE  36           HN       PHE  36  40.991   2.722  -5.258
  295    HA   PHE  36           HA       PHE  36  43.590   3.533  -5.855
  296    HB2  PHE  36           HB2      PHE  36  42.487   2.947  -3.561
  297    HB3  PHE  36           HB1      PHE  36  43.187   1.348  -3.838
  298    HD1  PHE  36           HD1      PHE  36  43.884   4.912  -3.240
  299    HD2  PHE  36           HD2      PHE  36  45.605   1.036  -3.897
  300    HE1  PHE  36           HE1      PHE  36  46.087   5.764  -2.494
  301    HE2  PHE  36           HE2      PHE  36  47.808   1.889  -3.149
  302    HZ   PHE  36           HZ       PHE  36  48.048   4.253  -2.450
  303    HA   PRO  37           HA       PRO  37  44.870  -0.031  -8.296
  304    HB2  PRO  37           HB2      PRO  37  47.103   1.015  -9.301
  305    HB3  PRO  37           HB1      PRO  37  45.524   1.700  -9.758
  306    HG2  PRO  37           HG2      PRO  37  47.446   2.661  -7.668
  307    HG3  PRO  37           HG1      PRO  37  46.669   3.566  -8.960
  308    HD2  PRO  37           HD2      PRO  37  45.669   3.542  -6.424
  309    HD3  PRO  37           HD1      PRO  37  44.617   3.688  -7.857
  310    H    SER  38           HN       SER  38  47.001   1.746  -6.079
  311    HA   SER  38           HA       SER  38  48.738   0.995  -4.685
  312    HB2  SER  38           HB2      SER  38  46.753  -1.159  -4.874
  313    HB3  SER  38           HB1      SER  38  48.366  -1.742  -4.446
  314    HG   SER  38           HG       SER  38  46.728  -0.869  -2.764
  315    H    ALA  39           HN       ALA  39  49.284   1.304  -7.383
  316    HA   ALA  39           HA       ALA  39  50.532  -1.123  -8.434
  317    HB1  ALA  39           HB1      ALA  39  50.696   1.673  -9.576
  318    HB2  ALA  39           HB2      ALA  39  49.313   0.609  -9.838
  319    HB3  ALA  39           HB3      ALA  39  50.909   0.146 -10.430
  320    H    GLU  40           HN       GLU  40  51.597   0.538  -5.993
  321    HA   GLU  40           HA       GLU  40  54.429   0.511  -6.935
  322    HB2  GLU  40           HB2      GLU  40  53.598   2.573  -4.936
  323    HB3  GLU  40           HB1      GLU  40  54.890   2.630  -6.134
  324    HG2  GLU  40           HG2      GLU  40  52.856   2.556  -7.843
  325    HG3  GLU  40           HG1      GLU  40  51.971   3.212  -6.467
  Start of MODEL   17
    1    H1   THR   1           HT1      THR   1  19.353  10.943  -5.647
    2    H2   THR   1           HT2      THR   1  19.588   9.994  -7.035
    3    H3   THR   1           HT3      THR   1  20.504   9.702  -5.638
    4    HA   THR   1           HA       THR   1  17.614   9.564  -5.363
    5    HB   THR   1           HB       THR   1  18.921   7.081  -6.342
    6    HG1  THR   1           HG1      THR   1  19.613   8.069  -8.067
    7   HG21  THR   1          HG21      THR   1  16.757   6.587  -7.103
    8   HG22  THR   1          HG22      THR   1  16.321   8.287  -7.268
    9   HG23  THR   1          HG23      THR   1  16.434   7.557  -5.668
   10    H    VAL   2           HN       VAL   2  18.296   9.927  -3.142
   11    HA   VAL   2           HA       VAL   2  20.230   8.486  -1.698
   12    HB   VAL   2           HB       VAL   2  17.599   8.965  -0.360
   13   HG11  VAL   2          HG11      VAL   2  20.473   9.690   0.296
   14   HG12  VAL   2          HG12      VAL   2  19.606   8.281   0.906
   15   HG13  VAL   2          HG13      VAL   2  19.091   9.902   1.372
   16   HG21  VAL   2          HG21      VAL   2  18.346  11.448  -0.232
   17   HG22  VAL   2          HG22      VAL   2  17.535  10.911  -1.702
   18   HG23  VAL   2          HG23      VAL   2  19.292  11.093  -1.678
   19    H    PHE   3           HN       PHE   3  17.040   7.533  -2.782
   20    HA   PHE   3           HA       PHE   3  16.599   5.189  -1.294
   21    HB2  PHE   3           HB2      PHE   3  14.867   5.740  -2.782
   22    HB3  PHE   3           HB1      PHE   3  15.975   6.009  -4.128
   23    HD1  PHE   3           HD2      PHE   3  17.161   4.015  -5.155
   24    HD2  PHE   3           HD1      PHE   3  13.865   3.617  -2.425
   25    HE1  PHE   3           HE2      PHE   3  16.802   1.686  -5.928
   26    HE2  PHE   3           HE1      PHE   3  13.501   1.289  -3.202
   27    HZ   PHE   3           HZ       PHE   3  14.972   0.325  -4.953
   28    H    ALA   4           HN       ALA   4  18.714   5.733  -4.101
   29    HA   ALA   4           HA       ALA   4  19.614   3.006  -4.341
   30    HB1  ALA   4           HB1      ALA   4  21.522   3.969  -5.575
   31    HB2  ALA   4           HB2      ALA   4  21.083   5.583  -5.011
   32    HB3  ALA   4           HB3      ALA   4  20.012   4.708  -6.109
   33    H    PHE   5           HN       PHE   5  20.749   5.832  -2.515
   34    HA   PHE   5           HA       PHE   5  23.005   4.601  -1.261
   35    HB2  PHE   5           HB2      PHE   5  22.329   7.071  -1.153
   36    HB3  PHE   5           HB1      PHE   5  21.157   6.594   0.074
   37    HD1  PHE   5           HD1      PHE   5  24.782   5.994  -0.742
   38    HD2  PHE   5           HD2      PHE   5  21.830   6.736   2.296
   39    HE1  PHE   5           HE1      PHE   5  26.560   6.017   0.984
   40    HE2  PHE   5           HE2      PHE   5  23.613   6.760   4.020
   41    HZ   PHE   5           HZ       PHE   5  25.979   6.402   3.363
   42    H    ALA   6           HN       ALA   6  19.804   5.172   0.231
   43    HA   ALA   6           HA       ALA   6  20.021   3.514   2.433
   44    HB1  ALA   6           HB1      ALA   6  17.559   3.624   0.672
   45    HB2  ALA   6           HB2      ALA   6  18.015   4.896   1.806
   46    HB3  ALA   6           HB3      ALA   6  17.613   3.287   2.401
   47    H    SER   7           HN       SER   7  19.447   2.521  -0.905
   48    HA   SER   7           HA       SER   7  18.978  -0.270  -0.302
   49    HB2  SER   7           HB2      SER   7  20.073   0.939  -2.853
   50    HB3  SER   7           HB1      SER   7  19.270  -0.628  -2.679
   51    HG   SER   7           HG       SER   7  18.208   1.996  -2.447
   52    H    MET   8           HN       MET   8  21.794   1.291  -1.847
   53    HA   MET   8           HA       MET   8  23.586  -0.864  -1.568
   54    HB2  MET   8           HB2      MET   8  23.895   2.118  -1.753
   55    HB3  MET   8           HB1      MET   8  25.306   1.153  -1.330
   56    HG2  MET   8           HG2      MET   8  25.580   0.800  -3.546
   57    HG3  MET   8           HG1      MET   8  24.158  -0.248  -3.445
   58    HE1  MET   8           HE1      MET   8  24.063   1.888  -6.684
   59    HE2  MET   8           HE2      MET   8  23.152   0.466  -6.188
   60    HE3  MET   8           HE3      MET   8  24.877   0.559  -5.849
   61    H    LEU   9           HN       LEU   9  23.063   1.886   0.610
   62    HA   LEU   9           HA       LEU   9  24.710   1.398   2.733
   63    HB2  LEU   9           HB2      LEU   9  22.434   2.895   2.369
   64    HB3  LEU   9           HB1      LEU   9  21.903   1.738   3.593
   65    HG   LEU   9           HG       LEU   9  24.394   3.464   3.772
   66   HD11  LEU   9          HD11      LEU   9  23.230   4.796   5.347
   67   HD12  LEU   9          HD12      LEU   9  21.918   3.628   5.487
   68   HD13  LEU   9          HD13      LEU   9  22.095   4.584   4.014
   69   HD21  LEU   9          HD21      LEU   9  24.802   1.447   4.989
   70   HD22  LEU   9          HD22      LEU   9  23.152   1.405   5.614
   71   HD23  LEU   9          HD23      LEU   9  24.285   2.626   6.195
   72    H    CYS  10           HN       CYS  10  21.515  -0.188   2.356
   73    HA   CYS  10           HA       CYS  10  21.965  -2.092   4.469
   74    HB2  CYS  10           HB2      CYS  10  19.702  -1.745   3.730
   75    HB3  CYS  10           HB1      CYS  10  20.126  -2.132   2.058
   76    HG   CYS  10           HG       CYS  10  20.787  -4.490   3.804
   77    H    LEU  11           HN       LEU  11  22.256  -2.360   0.929
   78    HA   LEU  11           HA       LEU  11  23.189  -5.058   0.947
   79    HB2  LEU  11           HB2      LEU  11  22.741  -2.967  -0.988
   80    HB3  LEU  11           HB1      LEU  11  24.291  -3.733  -1.315
   81    HG   LEU  11           HG       LEU  11  23.111  -5.975  -1.140
   82   HD11  LEU  11          HD11      LEU  11  21.141  -5.361   0.102
   83   HD12  LEU  11          HD12      LEU  11  20.602  -5.828  -1.511
   84   HD13  LEU  11          HD13      LEU  11  20.714  -4.120  -1.077
   85   HD21  LEU  11          HD21      LEU  11  22.087  -4.062  -3.264
   86   HD22  LEU  11          HD22      LEU  11  22.135  -5.821  -3.391
   87   HD23  LEU  11          HD23      LEU  11  23.636  -4.899  -3.318
   88    H    LEU  12           HN       LEU  12  25.157  -2.184   0.141
   89    HA   LEU  12           HA       LEU  12  27.670  -3.338   0.262
   90    HB2  LEU  12           HB2      LEU  12  28.572  -1.157   0.618
   91    HB3  LEU  12           HB1      LEU  12  27.111  -0.934  -0.311
   92    HG   LEU  12           HG       LEU  12  25.986  -0.646   2.055
   93   HD11  LEU  12          HD11      LEU  12  28.459   0.697   2.884
   94   HD12  LEU  12          HD12      LEU  12  28.591  -1.059   2.873
   95   HD13  LEU  12          HD13      LEU  12  27.340  -0.277   3.830
   96   HD21  LEU  12          HD21      LEU  12  26.871   1.845   1.944
   97   HD22  LEU  12          HD22      LEU  12  25.841   1.213   0.662
   98   HD23  LEU  12          HD23      LEU  12  27.585   1.301   0.426
   99    H    ASN  13           HN       ASN  13  25.649  -2.337   2.931
  100    HA   ASN  13           HA       ASN  13  27.804  -2.606   4.873
  101    HB2  ASN  13           HB2      ASN  13  26.028  -0.911   5.130
  102    HB3  ASN  13           HB1      ASN  13  24.830  -2.185   5.211
  103   HD21  ASN  13          HD21      ASN  13  27.451  -0.620   6.994
  104   HD22  ASN  13          HD22      ASN  13  27.093  -1.355   8.501
  105    H    SER  14           HN       SER  14  24.742  -4.221   4.249
  106    HA   SER  14           HA       SER  14  25.127  -6.156   6.334
  107    HB2  SER  14           HB2      SER  14  22.920  -5.499   5.350
  108    HB3  SER  14           HB1      SER  14  23.368  -6.349   3.875
  109    HG   SER  14           HG       SER  14  22.466  -7.979   4.915
  110    H    THR  15           HN       THR  15  26.277  -5.852   3.121
  111    HA   THR  15           HA       THR  15  26.881  -8.681   2.725
  112    HB   THR  15           HB       THR  15  28.251  -7.740   0.801
  113    HG1  THR  15           HG1      THR  15  26.942  -5.311   1.301
  114   HG21  THR  15          HG21      THR  15  26.116  -6.753  -0.311
  115   HG22  THR  15          HG22      THR  15  25.327  -7.202   1.200
  116   HG23  THR  15          HG23      THR  15  26.101  -8.437   0.207
  117    H    VAL  16           HN       VAL  16  29.128  -5.942   2.656
  118    HA   VAL  16           HA       VAL  16  30.938  -7.356   4.570
  119    HB   VAL  16           HB       VAL  16  32.053  -6.167   2.076
  120   HG11  VAL  16          HG11      VAL  16  32.801  -8.521   3.832
  121   HG12  VAL  16          HG12      VAL  16  33.577  -6.939   3.821
  122   HG13  VAL  16          HG13      VAL  16  33.714  -7.999   2.418
  123   HG21  VAL  16          HG21      VAL  16  31.875  -8.438   0.985
  124   HG22  VAL  16          HG22      VAL  16  30.337  -7.597   1.152
  125   HG23  VAL  16          HG23      VAL  16  30.753  -8.902   2.262
  126    H    ASN  17           HN       ASN  17  30.154  -5.454   5.875
  127    HA   ASN  17           HA       ASN  17  31.965  -3.186   5.278
  128    HB2  ASN  17           HB2      ASN  17  29.543  -2.730   4.590
  129    HB3  ASN  17           HB1      ASN  17  29.202  -2.638   6.323
  130   HD21  ASN  17          HD21      ASN  17  32.319  -1.716   6.220
  131   HD22  ASN  17          HD22      ASN  17  32.151  -0.033   5.950
  132    HA   PRO  18           HA       PRO  18  30.991  -3.211   9.975
  133    HB2  PRO  18           HB2      PRO  18  30.369  -5.958  10.657
  134    HB3  PRO  18           HB1      PRO  18  29.418  -4.501  10.984
  135    HG2  PRO  18           HG2      PRO  18  28.772  -6.499   9.199
  136    HG3  PRO  18           HG1      PRO  18  28.071  -4.866   9.219
  137    HD2  PRO  18           HD2      PRO  18  30.046  -6.052   7.367
  138    HD3  PRO  18           HD1      PRO  18  28.970  -4.662   7.116
  139    H    ILE  19           HN       ILE  19  33.204  -3.847   8.355
  140    HA   ILE  19           HA       ILE  19  34.760  -5.477  10.247
  141    HB   ILE  19           HB       ILE  19  35.803  -6.344   7.911
  142   HG12  ILE  19          HG12      ILE  19  33.579  -5.079   6.973
  143   HG13  ILE  19          HG11      ILE  19  34.329  -6.457   6.177
  144   HG21  ILE  19          HG21      ILE  19  34.405  -8.415   8.288
  145   HG22  ILE  19          HG22      ILE  19  33.534  -7.510   9.527
  146   HG23  ILE  19          HG23      ILE  19  35.258  -7.827   9.716
  147   HD11  ILE  19          HD11      ILE  19  32.795  -7.995   7.205
  148   HD12  ILE  19          HD12      ILE  19  31.835  -6.679   6.535
  149   HD13  ILE  19          HD13      ILE  19  32.157  -6.741   8.267
  150    H    ILE  20           HN       ILE  20  35.375  -4.043   7.028
  151    HA   ILE  20           HA       ILE  20  37.661  -2.582   8.310
  152    HB   ILE  20           HB       ILE  20  37.546  -3.464   5.416
  153   HG12  ILE  20          HG12      ILE  20  39.344  -5.126   6.772
  154   HG13  ILE  20          HG11      ILE  20  37.926  -5.085   7.817
  155   HG21  ILE  20          HG21      ILE  20  40.054  -3.316   5.730
  156   HG22  ILE  20          HG22      ILE  20  39.743  -2.582   7.304
  157   HG23  ILE  20          HG23      ILE  20  39.202  -1.775   5.832
  158   HD11  ILE  20          HD11      ILE  20  38.152  -6.016   4.969
  159   HD12  ILE  20          HD12      ILE  20  36.598  -5.469   5.593
  160   HD13  ILE  20          HD13      ILE  20  37.420  -6.836   6.346
  161    H    TYR  21           HN       TYR  21  35.896  -2.404   5.219
  162    HA   TYR  21           HA       TYR  21  36.310   0.440   5.020
  163    HB2  TYR  21           HB2      TYR  21  34.120  -0.603   3.363
  164    HB3  TYR  21           HB1      TYR  21  35.649   0.128   2.876
  165    HD1  TYR  21           HD1      TYR  21  37.747  -1.265   2.821
  166    HD2  TYR  21           HD2      TYR  21  33.860  -2.997   3.435
  167    HE1  TYR  21           HE1      TYR  21  38.651  -3.502   2.257
  168    HE2  TYR  21           HE2      TYR  21  34.768  -5.230   2.868
  169    HH   TYR  21           HH       TYR  21  37.852  -6.032   2.922
  170    H    ALA  22           HN       ALA  22  35.126  -0.038   7.484
  171    HA   ALA  22           HA       ALA  22  32.418  -0.049   7.868
  172    HB1  ALA  22           HB1      ALA  22  32.748   1.259   9.871
  173    HB2  ALA  22           HB2      ALA  22  34.238   1.952   9.231
  174    HB3  ALA  22           HB3      ALA  22  34.169   0.239   9.646
  175    H    LEU  23           HN       LEU  23  31.109   0.897   6.317
  176    HA   LEU  23           HA       LEU  23  29.950   2.590   5.190
  177    HB2  LEU  23           HB2      LEU  23  30.483   3.924   7.858
  178    HB3  LEU  23           HB1      LEU  23  29.199   4.359   6.723
  179    HG   LEU  23           HG       LEU  23  29.312   1.486   7.450
  180   HD11  LEU  23          HD11      LEU  23  28.111   1.933   9.613
  181   HD12  LEU  23          HD12      LEU  23  28.567   3.631   9.459
  182   HD13  LEU  23          HD13      LEU  23  29.813   2.394   9.639
  183   HD21  LEU  23          HD21      LEU  23  27.532   2.489   6.044
  184   HD22  LEU  23          HD22      LEU  23  27.090   3.555   7.378
  185   HD23  LEU  23          HD23      LEU  23  26.871   1.812   7.533
  186    H    ARG  24           HN       ARG  24  31.774   4.965   7.060
  187    HA   ARG  24           HA       ARG  24  32.084   6.714   4.924
  188    HB2  ARG  24           HB2      ARG  24  34.089   7.656   6.194
  189    HB3  ARG  24           HB1      ARG  24  32.572   7.569   7.084
  190    HG2  ARG  24           HG2      ARG  24  33.835   5.079   7.508
  191    HG3  ARG  24           HG1      ARG  24  35.108   6.289   7.667
  192    HD2  ARG  24           HD2      ARG  24  34.297   6.969   9.661
  193    HD3  ARG  24           HD1      ARG  24  32.689   7.200   8.986
  194    HE   ARG  24           HE       ARG  24  32.088   5.007   9.710
  195   HH11  ARG  24          HH21      ARG  24  35.435   5.753  10.208
  196   HH12  ARG  24          HH22      ARG  24  35.723   4.379  11.224
  197   HH21  ARG  24          HH11      ARG  24  32.452   3.217  11.022
  198   HH22  ARG  24          HH12      ARG  24  34.028   2.936  11.680
  199    H    SER  25           HN       SER  25  34.110   3.944   5.729
  200    HA   SER  25           HA       SER  25  35.998   4.690   3.574
  201    HB2  SER  25           HB2      SER  25  36.908   2.308   4.387
  202    HB3  SER  25           HB1      SER  25  37.297   3.809   5.236
  203    HG   SER  25           HG       SER  25  36.496   2.192   6.655
  204    H    LYS  26           HN       LYS  26  33.130   2.847   3.933
  205    HA   LYS  26           HA       LYS  26  33.560   0.677   2.164
  206    HB2  LYS  26           HB2      LYS  26  31.264   2.054   3.234
  207    HB3  LYS  26           HB1      LYS  26  31.017   1.774   1.511
  208    HG2  LYS  26           HG2      LYS  26  31.886  -0.363   3.466
  209    HG3  LYS  26           HG1      LYS  26  30.227  -0.111   2.973
  210    HD2  LYS  26           HD2      LYS  26  30.649  -0.798   0.761
  211    HD3  LYS  26           HD1      LYS  26  32.391  -0.536   0.917
  212    HE2  LYS  26           HE2      LYS  26  32.606  -2.722   1.438
  213    HE3  LYS  26           HE1      LYS  26  31.734  -2.396   2.933
  214    HZ1  LYS  26           HZ1      LYS  26  30.831  -4.164   1.315
  215    HZ2  LYS  26           HZ2      LYS  26  30.243  -2.840   0.433
  216    HZ3  LYS  26           HZ3      LYS  26  29.737  -3.088   2.041
  217    H    ASP  27           HN       ASP  27  33.067   4.080   1.596
  218    HA   ASP  27           HA       ASP  27  32.753   4.030  -1.220
  219    HB2  ASP  27           HB2      ASP  27  32.498   6.061   0.224
  220    HB3  ASP  27           HB1      ASP  27  34.260   6.092   0.406
  221    H    LEU  28           HN       LEU  28  35.682   4.262   0.779
  222    HA   LEU  28           HA       LEU  28  37.572   4.221  -1.345
  223    HB2  LEU  28           HB2      LEU  28  37.998   4.659   1.158
  224    HB3  LEU  28           HB1      LEU  28  37.997   2.902   1.348
  225    HG   LEU  28           HG       LEU  28  39.703   3.045  -0.704
  226   HD11  LEU  28          HD11      LEU  28  39.465   5.517  -0.895
  227   HD12  LEU  28          HD12      LEU  28  41.125   5.030  -0.550
  228   HD13  LEU  28          HD13      LEU  28  40.111   5.682   0.739
  229   HD21  LEU  28          HD21      LEU  28  40.160   2.093   1.546
  230   HD22  LEU  28          HD22      LEU  28  40.482   3.718   2.152
  231   HD23  LEU  28          HD23      LEU  28  41.536   3.008   0.930
  232    H    ARG  29           HN       ARG  29  35.978   1.604   0.453
  233    HA   ARG  29           HA       ARG  29  37.399  -0.588  -0.492
  234    HB2  ARG  29           HB2      ARG  29  35.799  -1.271   0.991
  235    HB3  ARG  29           HB1      ARG  29  34.567  -0.190   0.348
  236    HG2  ARG  29           HG2      ARG  29  33.810  -2.334  -0.282
  237    HG3  ARG  29           HG1      ARG  29  34.601  -1.757  -1.737
  238    HD2  ARG  29           HD2      ARG  29  35.829  -3.588   0.349
  239    HD3  ARG  29           HD1      ARG  29  35.272  -4.069  -1.257
  240    HE   ARG  29           HE       ARG  29  37.116  -2.088  -1.813
  241   HH11  ARG  29          HH21      ARG  29  37.070  -5.024   0.018
  242   HH12  ARG  29          HH22      ARG  29  38.777  -5.289  -0.113
  243   HH21  ARG  29          HH11      ARG  29  39.357  -2.428  -1.975
  244   HH22  ARG  29          HH12      ARG  29  40.067  -3.832  -1.247
  245    H    HIS  30           HN       HIS  30  34.464   0.742  -2.119
  246    HA   HIS  30           HA       HIS  30  34.997  -0.974  -4.409
  247    HB2  HIS  30           HB2      HIS  30  33.089   0.078  -5.473
  248    HB3  HIS  30           HB1      HIS  30  32.671  -0.289  -3.791
  249    HD1  HIS  30           HD1      HIS  30  33.039   2.484  -6.195
  250    HD2  HIS  30           HD2      HIS  30  32.724   2.079  -2.037
  251    HE1  HIS  30           HE1      HIS  30  32.555   4.801  -5.286
  252    HE2  HIS  30           HE2      HIS  30  32.382   4.588  -2.769
  253    H    ALA  31           HN       ALA  31  35.128   2.574  -3.886
  254    HA   ALA  31           HA       ALA  31  36.221   3.366  -6.350
  255    HB1  ALA  31           HB1      ALA  31  35.727   4.882  -4.384
  256    HB2  ALA  31           HB2      ALA  31  37.275   5.200  -5.165
  257    HB3  ALA  31           HB3      ALA  31  37.221   4.307  -3.644
  258    H    PHE  32           HN       PHE  32  37.680   1.685  -3.668
  259    HA   PHE  32           HA       PHE  32  40.360   1.562  -4.788
  260    HB2  PHE  32           HB2      PHE  32  39.858   1.280  -2.384
  261    HB3  PHE  32           HB1      PHE  32  38.922  -0.150  -2.765
  262    HD1  PHE  32           HD1      PHE  32  40.066  -2.186  -3.675
  263    HD2  PHE  32           HD2      PHE  32  42.221   1.222  -2.220
  264    HE1  PHE  32           HE1      PHE  32  42.117  -3.570  -3.476
  265    HE2  PHE  32           HE2      PHE  32  44.278  -0.155  -2.027
  266    HZ   PHE  32           HZ       PHE  32  44.222  -2.555  -2.649
  267    H    ARG  33           HN       ARG  33  37.751  -0.859  -4.417
  268    HA   ARG  33           HA       ARG  33  38.855  -2.680  -6.402
  269    HB2  ARG  33           HB2      ARG  33  36.038  -2.447  -5.298
  270    HB3  ARG  33           HB1      ARG  33  36.667  -3.817  -6.209
  271    HG2  ARG  33           HG2      ARG  33  38.275  -3.012  -3.865
  272    HG3  ARG  33           HG1      ARG  33  36.680  -3.668  -3.489
  273    HD2  ARG  33           HD2      ARG  33  38.352  -5.476  -3.574
  274    HD3  ARG  33           HD1      ARG  33  37.170  -5.664  -4.862
  275    HE   ARG  33           HE       ARG  33  39.984  -4.735  -5.220
  276   HH11  ARG  33          HH21      ARG  33  36.926  -5.773  -6.500
  277   HH12  ARG  33          HH22      ARG  33  37.528  -5.961  -8.111
  278   HH21  ARG  33          HH11      ARG  33  40.756  -4.992  -7.315
  279   HH22  ARG  33          HH12      ARG  33  39.691  -5.531  -8.569
  280    H    SER  34           HN       SER  34  38.808  -0.122  -7.500
  281    HA   SER  34           HA       SER  34  37.296  -0.488  -9.920
  282    HB2  SER  34           HB2      SER  34  36.131   1.216  -7.744
  283    HB3  SER  34           HB1      SER  34  35.853   1.631  -9.436
  284    HG   SER  34           HG       SER  34  35.431  -0.981  -8.394
  285    H    MET  35           HN       MET  35  39.107   1.569  -7.748
  286    HA   MET  35           HA       MET  35  40.008   3.226 -10.063
  287    HB2  MET  35           HB2      MET  35  39.508   4.179  -7.221
  288    HB3  MET  35           HB1      MET  35  39.952   5.180  -8.612
  289    HG2  MET  35           HG2      MET  35  37.748   4.018  -9.633
  290    HG3  MET  35           HG1      MET  35  37.323   3.955  -7.918
  291    HE1  MET  35           HE1      MET  35  37.979   7.604 -10.594
  292    HE2  MET  35           HE2      MET  35  37.885   5.904 -11.045
  293    HE3  MET  35           HE3      MET  35  39.324   6.513 -10.233
  294    H    PHE  36           HN       PHE  36  40.735   2.579  -6.621
  295    HA   PHE  36           HA       PHE  36  43.453   3.298  -6.745
  296    HB2  PHE  36           HB2      PHE  36  41.971   2.563  -4.694
  297    HB3  PHE  36           HB1      PHE  36  42.628   0.957  -5.048
  298    HD1  PHE  36           HD2      PHE  36  43.534   4.470  -4.228
  299    HD2  PHE  36           HD1      PHE  36  44.900   0.414  -4.559
  300    HE1  PHE  36           HE2      PHE  36  45.656   5.092  -3.108
  301    HE2  PHE  36           HE1      PHE  36  47.022   1.035  -3.437
  302    HZ   PHE  36           HZ       PHE  36  47.401   3.376  -2.713
  303    HA   PRO  37           HA       PRO  37  44.745  -0.022  -9.473
  304    HB2  PRO  37           HB2      PRO  37  47.253   0.829  -9.899
  305    HB3  PRO  37           HB1      PRO  37  45.875   1.770 -10.524
  306    HG2  PRO  37           HG2      PRO  37  47.416   2.178  -7.984
  307    HG3  PRO  37           HG1      PRO  37  47.048   3.338  -9.253
  308    HD2  PRO  37           HD2      PRO  37  45.529   3.200  -7.023
  309    HD3  PRO  37           HD1      PRO  37  44.791   3.560  -8.607
  310    H    SER  38           HN       SER  38  46.447   1.080  -6.593
  311    HA   SER  38           HA       SER  38  47.698  -0.099  -4.997
  312    HB2  SER  38           HB2      SER  38  45.729  -1.961  -6.129
  313    HB3  SER  38           HB1      SER  38  47.118  -2.762  -5.381
  314    HG   SER  38           HG       SER  38  45.101  -1.952  -4.102
  315    H    ALA  39           HN       ALA  39  48.716   0.449  -7.698
  316    HA   ALA  39           HA       ALA  39  50.213  -1.851  -8.609
  317    HB1  ALA  39           HB1      ALA  39  51.457  -0.106  -9.972
  318    HB2  ALA  39           HB2      ALA  39  50.437   1.109  -9.202
  319    HB3  ALA  39           HB3      ALA  39  49.709  -0.134 -10.223
  320    H    GLU  40           HN       GLU  40  51.102   1.147  -6.917
  321    HA   GLU  40           HA       GLU  40  53.382  -0.315  -5.679
  322    HB2  GLU  40           HB2      GLU  40  53.813   2.529  -6.498
  323    HB3  GLU  40           HB1      GLU  40  54.969   1.200  -6.405
  324    HG2  GLU  40           HG2      GLU  40  53.665   0.181  -8.397
  325    HG3  GLU  40           HG1      GLU  40  52.947   1.780  -8.573
  Start of MODEL   18
    1    H1   THR   1           HT1      THR   1  14.725   8.398  -2.846
    2    H2   THR   1           HT2      THR   1  13.049   8.277  -3.084
    3    H3   THR   1           HT3      THR   1  14.073   8.614  -4.394
    4    HA   THR   1           HA       THR   1  13.178   6.145  -3.607
    5    HB   THR   1           HB       THR   1  15.561   6.058  -5.266
    6    HG1  THR   1           HG1      THR   1  15.383   7.860  -6.300
    7   HG21  THR   1          HG21      THR   1  12.644   5.941  -6.075
    8   HG22  THR   1          HG22      THR   1  13.493   4.587  -5.326
    9   HG23  THR   1          HG23      THR   1  14.020   5.198  -6.893
   10    H    VAL   2           HN       VAL   2  14.457   7.062  -1.279
   11    HA   VAL   2           HA       VAL   2  17.080   6.395  -0.743
   12    HB   VAL   2           HB       VAL   2  16.296   5.676   1.535
   13   HG11  VAL   2          HG11      VAL   2  15.445   7.853   2.144
   14   HG12  VAL   2          HG12      VAL   2  14.864   8.144   0.505
   15   HG13  VAL   2          HG13      VAL   2  16.596   8.088   0.830
   16   HG21  VAL   2          HG21      VAL   2  13.797   5.962   1.922
   17   HG22  VAL   2          HG22      VAL   2  14.245   4.534   0.993
   18   HG23  VAL   2          HG23      VAL   2  13.600   5.954   0.171
   19    H    PHE   3           HN       PHE   3  14.389   4.137  -1.229
   20    HA   PHE   3           HA       PHE   3  15.540   1.733  -0.417
   21    HB2  PHE   3           HB2      PHE   3  14.104   1.972  -3.068
   22    HB3  PHE   3           HB1      PHE   3  14.089   0.615  -1.936
   23    HD1  PHE   3           HD2      PHE   3  13.282   1.266   0.531
   24    HD2  PHE   3           HD1      PHE   3  12.274   3.419  -3.051
   25    HE1  PHE   3           HE2      PHE   3  11.298   2.227   1.664
   26    HE2  PHE   3           HE1      PHE   3  10.293   4.379  -1.914
   27    HZ   PHE   3           HZ       PHE   3   9.800   3.783   0.441
   28    H    ALA   4           HN       ALA   4  16.243   3.605  -3.339
   29    HA   ALA   4           HA       ALA   4  18.061   1.684  -4.512
   30    HB1  ALA   4           HB1      ALA   4  18.993   3.708  -5.698
   31    HB2  ALA   4           HB2      ALA   4  17.913   4.710  -4.729
   32    HB3  ALA   4           HB3      ALA   4  17.244   3.540  -5.866
   33    H    PHE   5           HN       PHE   5  18.513   4.522  -2.417
   34    HA   PHE   5           HA       PHE   5  21.320   4.160  -1.940
   35    HB2  PHE   5           HB2      PHE   5  19.621   6.124  -1.305
   36    HB3  PHE   5           HB1      PHE   5  19.537   5.235   0.212
   37    HD1  PHE   5           HD1      PHE   5  22.285   6.056  -2.231
   38    HD2  PHE   5           HD2      PHE   5  20.936   6.118   1.851
   39    HE1  PHE   5           HE1      PHE   5  24.457   7.018  -1.524
   40    HE2  PHE   5           HE2      PHE   5  23.109   7.081   2.553
   41    HZ   PHE   5           HZ       PHE   5  24.871   7.532   0.867
   42    H    ALA   6           HN       ALA   6  18.632   3.440   0.293
   43    HA   ALA   6           HA       ALA   6  19.962   1.909   2.167
   44    HB1  ALA   6           HB1      ALA   6  17.868   0.842   2.663
   45    HB2  ALA   6           HB2      ALA   6  17.265   1.137   1.034
   46    HB3  ALA   6           HB3      ALA   6  17.500   2.486   2.146
   47    H    SER   7           HN       SER   7  18.851   0.831  -1.043
   48    HA   SER   7           HA       SER   7  19.483  -1.932  -0.692
   49    HB2  SER   7           HB2      SER   7  19.536  -0.213  -3.183
   50    HB3  SER   7           HB1      SER   7  19.680  -1.977  -3.188
   51    HG   SER   7           HG       SER   7  17.500  -0.316  -2.478
   52    H    MET   8           HN       MET   8  21.425   0.596  -2.324
   53    HA   MET   8           HA       MET   8  23.806  -0.967  -2.508
   54    HB2  MET   8           HB2      MET   8  23.077   1.858  -2.822
   55    HB3  MET   8           HB1      MET   8  24.698   1.634  -2.165
   56    HG2  MET   8           HG2      MET   8  25.421   0.345  -4.001
   57    HG3  MET   8           HG1      MET   8  23.760   0.044  -4.550
   58    HE1  MET   8           HE1      MET   8  22.429   3.418  -4.923
   59    HE2  MET   8           HE2      MET   8  22.190   1.673  -4.895
   60    HE3  MET   8           HE3      MET   8  22.488   2.490  -6.429
   61    H    LEU   9           HN       LEU   9  22.673   1.297  -0.051
   62    HA   LEU   9           HA       LEU   9  24.928   1.197   1.644
   63    HB2  LEU   9           HB2      LEU   9  22.147   2.071   1.779
   64    HB3  LEU   9           HB1      LEU   9  22.694   1.410   3.325
   65    HG   LEU   9           HG       LEU   9  23.091   3.922   2.911
   66   HD11  LEU   9          HD11      LEU   9  25.735   3.287   3.571
   67   HD12  LEU   9          HD12      LEU   9  24.804   1.879   4.080
   68   HD13  LEU   9          HD13      LEU   9  24.393   3.477   4.697
   69   HD21  LEU   9          HD21      LEU   9  24.078   3.186   0.532
   70   HD22  LEU   9          HD22      LEU   9  25.576   3.132   1.460
   71   HD23  LEU   9          HD23      LEU   9  24.648   4.629   1.368
   72    H    CYS  10           HN       CYS  10  21.870  -0.602   2.112
   73    HA   CYS  10           HA       CYS  10  22.774  -2.409   4.061
   74    HB2  CYS  10           HB2      CYS  10  20.670  -2.506   1.939
   75    HB3  CYS  10           HB1      CYS  10  21.092  -4.015   2.751
   76    HG   CYS  10           HG       CYS  10  20.064  -3.184   4.875
   77    H    LEU  11           HN       LEU  11  22.939  -2.727   0.514
   78    HA   LEU  11           HA       LEU  11  24.167  -5.310   0.506
   79    HB2  LEU  11           HB2      LEU  11  23.957  -3.042  -1.455
   80    HB3  LEU  11           HB1      LEU  11  25.062  -4.362  -1.804
   81    HG   LEU  11           HG       LEU  11  22.239  -4.978  -0.971
   82   HD11  LEU  11          HD11      LEU  11  21.447  -4.813  -3.218
   83   HD12  LEU  11          HD12      LEU  11  23.070  -4.537  -3.846
   84   HD13  LEU  11          HD13      LEU  11  22.269  -3.288  -2.895
   85   HD21  LEU  11          HD21      LEU  11  22.645  -7.022  -2.151
   86   HD22  LEU  11          HD22      LEU  11  24.104  -6.712  -1.212
   87   HD23  LEU  11          HD23      LEU  11  24.075  -6.361  -2.941
   88    H    LEU  12           HN       LEU  12  25.648  -2.104   0.075
   89    HA   LEU  12           HA       LEU  12  28.349  -2.998   0.165
   90    HB2  LEU  12           HB2      LEU  12  26.939  -0.388   0.484
   91    HB3  LEU  12           HB1      LEU  12  28.583  -0.489   1.094
   92    HG   LEU  12           HG       LEU  12  29.321  -1.363  -1.136
   93   HD11  LEU  12          HD11      LEU  12  27.756  -1.108  -3.048
   94   HD12  LEU  12          HD12      LEU  12  26.466  -0.703  -1.916
   95   HD13  LEU  12          HD13      LEU  12  27.191  -2.310  -1.888
   96   HD21  LEU  12          HD21      LEU  12  29.209   0.784  -2.290
   97   HD22  LEU  12          HD22      LEU  12  29.425   1.073  -0.565
   98   HD23  LEU  12          HD23      LEU  12  27.837   1.279  -1.301
   99    H    ASN  13           HN       ASN  13  25.954  -2.444   2.581
  100    HA   ASN  13           HA       ASN  13  27.889  -2.128   4.749
  101    HB2  ASN  13           HB2      ASN  13  24.886  -2.138   4.582
  102    HB3  ASN  13           HB1      ASN  13  25.699  -2.242   6.135
  103   HD21  ASN  13          HD21      ASN  13  27.169  -0.535   3.503
  104   HD22  ASN  13          HD22      ASN  13  26.967   1.046   4.134
  105    H    SER  14           HN       SER  14  25.196  -4.370   4.229
  106    HA   SER  14           HA       SER  14  25.850  -6.035   6.333
  107    HB2  SER  14           HB2      SER  14  24.658  -7.864   4.917
  108    HB3  SER  14           HB1      SER  14  23.733  -6.421   5.350
  109    HG   SER  14           HG       SER  14  24.269  -5.564   3.288
  110    H    THR  15           HN       THR  15  27.201  -5.799   3.197
  111    HA   THR  15           HA       THR  15  28.620  -8.320   3.184
  112    HB   THR  15           HB       THR  15  29.750  -7.256   1.220
  113    HG1  THR  15           HG1      THR  15  28.031  -5.103   1.306
  114   HG21  THR  15          HG21      THR  15  27.597  -6.893  -0.062
  115   HG22  THR  15          HG22      THR  15  26.753  -7.079   1.476
  116   HG23  THR  15          HG23      THR  15  27.694  -8.418   0.821
  117    H    VAL  16           HN       VAL  16  30.061  -5.103   2.927
  118    HA   VAL  16           HA       VAL  16  32.041  -5.867   5.033
  119    HB   VAL  16           HB       VAL  16  33.177  -4.410   2.775
  120   HG11  VAL  16          HG11      VAL  16  34.996  -5.916   3.102
  121   HG12  VAL  16          HG12      VAL  16  33.960  -7.125   3.859
  122   HG13  VAL  16          HG13      VAL  16  34.344  -5.633   4.715
  123   HG21  VAL  16          HG21      VAL  16  33.225  -6.349   1.224
  124   HG22  VAL  16          HG22      VAL  16  31.582  -5.763   1.476
  125   HG23  VAL  16          HG23      VAL  16  32.134  -7.223   2.298
  126    H    ASN  17           HN       ASN  17  30.919  -4.269   6.351
  127    HA   ASN  17           HA       ASN  17  32.108  -1.652   5.887
  128    HB2  ASN  17           HB2      ASN  17  29.622  -2.079   4.765
  129    HB3  ASN  17           HB1      ASN  17  29.263  -1.182   6.243
  130   HD21  ASN  17          HD21      ASN  17  31.925   0.099   6.258
  131   HD22  ASN  17          HD22      ASN  17  31.880   1.300   5.029
  132    HA   PRO  18           HA       PRO  18  29.776  -1.450  10.059
  133    HB2  PRO  18           HB2      PRO  18  29.297  -4.179  10.911
  134    HB3  PRO  18           HB1      PRO  18  28.134  -2.860  10.721
  135    HG2  PRO  18           HG2      PRO  18  28.368  -5.116   9.122
  136    HG3  PRO  18           HG1      PRO  18  27.434  -3.654   8.748
  137    HD2  PRO  18           HD2      PRO  18  29.972  -4.589   7.604
  138    HD3  PRO  18           HD1      PRO  18  28.860  -3.354   6.983
  139    H    ILE  19           HN       ILE  19  32.479  -2.192   9.107
  140    HA   ILE  19           HA       ILE  19  33.549  -3.107  11.700
  141    HB   ILE  19           HB       ILE  19  34.794  -3.968   9.094
  142   HG12  ILE  19          HG12      ILE  19  33.609  -6.237  10.052
  143   HG13  ILE  19          HG11      ILE  19  32.391  -5.034  10.472
  144   HG21  ILE  19          HG21      ILE  19  35.871  -3.999  11.527
  145   HG22  ILE  19          HG22      ILE  19  36.129  -5.332  10.402
  146   HG23  ILE  19          HG23      ILE  19  34.918  -5.476  11.676
  147   HD11  ILE  19          HD11      ILE  19  33.553  -5.578   7.727
  148   HD12  ILE  19          HD12      ILE  19  32.508  -4.205   8.092
  149   HD13  ILE  19          HD13      ILE  19  31.892  -5.849   8.253
  150    H    ILE  20           HN       ILE  20  34.591  -1.770   8.551
  151    HA   ILE  20           HA       ILE  20  36.319   0.121  10.080
  152    HB   ILE  20           HB       ILE  20  38.125  -0.369   8.359
  153   HG12  ILE  20          HG12      ILE  20  35.983  -2.155   7.428
  154   HG13  ILE  20          HG11      ILE  20  37.418  -1.594   6.583
  155   HG21  ILE  20          HG21      ILE  20  38.012  -1.299  10.722
  156   HG22  ILE  20          HG22      ILE  20  38.934  -2.280   9.581
  157   HG23  ILE  20          HG23      ILE  20  37.299  -2.757  10.033
  158   HD11  ILE  20          HD11      ILE  20  37.499  -4.028   6.837
  159   HD12  ILE  20          HD12      ILE  20  37.306  -3.871   8.581
  160   HD13  ILE  20          HD13      ILE  20  38.775  -3.283   7.800
  161    H    TYR  21           HN       TYR  21  35.606  -0.605   6.613
  162    HA   TYR  21           HA       TYR  21  35.883   2.171   5.914
  163    HB2  TYR  21           HB2      TYR  21  34.234   0.619   4.057
  164    HB3  TYR  21           HB1      TYR  21  35.736   1.484   3.771
  165    HD1  TYR  21           HD2      TYR  21  37.919   0.402   4.198
  166    HD2  TYR  21           HD1      TYR  21  34.216  -1.736   4.614
  167    HE1  TYR  21           HE2      TYR  21  39.154  -1.747   4.130
  168    HE2  TYR  21           HE1      TYR  21  35.449  -3.886   4.540
  169    HH   TYR  21           HH       TYR  21  38.795  -4.100   4.921
  170    H    ALA  22           HN       ALA  22  33.941   1.777   8.051
  171    HA   ALA  22           HA       ALA  22  31.255   1.757   7.392
  172    HB1  ALA  22           HB1      ALA  22  31.026   3.499   9.298
  173    HB2  ALA  22           HB2      ALA  22  32.778   3.363   9.433
  174    HB3  ALA  22           HB3      ALA  22  31.764   1.944   9.683
  175    H    LEU  23           HN       LEU  23  31.149   2.709   5.229
  176    HA   LEU  23           HA       LEU  23  30.518   4.406   3.759
  177    HB2  LEU  23           HB2      LEU  23  29.990   5.991   6.289
  178    HB3  LEU  23           HB1      LEU  23  29.285   6.268   4.695
  179    HG   LEU  23           HG       LEU  23  28.813   3.536   5.348
  180   HD11  LEU  23          HD11      LEU  23  27.567   3.708   7.432
  181   HD12  LEU  23          HD12      LEU  23  27.934   5.428   7.546
  182   HD13  LEU  23          HD13      LEU  23  29.225   4.237   7.708
  183   HD21  LEU  23          HD21      LEU  23  27.064   6.008   5.199
  184   HD22  LEU  23          HD22      LEU  23  26.413   4.379   5.372
  185   HD23  LEU  23          HD23      LEU  23  27.337   4.810   3.934
  186    H    ARG  24           HN       ARG  24  32.014   6.184   6.469
  187    HA   ARG  24           HA       ARG  24  33.173   8.292   5.195
  188    HB2  ARG  24           HB2      ARG  24  35.082   8.128   6.830
  189    HB3  ARG  24           HB1      ARG  24  33.491   7.987   7.575
  190    HG2  ARG  24           HG2      ARG  24  33.912   5.386   7.106
  191    HG3  ARG  24           HG1      ARG  24  35.596   5.901   7.179
  192    HD2  ARG  24           HD2      ARG  24  34.554   7.186   9.365
  193    HD3  ARG  24           HD1      ARG  24  33.592   5.704   9.335
  194    HE   ARG  24           HE       ARG  24  36.548   5.458   9.103
  195   HH11  ARG  24          HH21      ARG  24  33.628   5.133  10.937
  196   HH12  ARG  24          HH22      ARG  24  34.307   4.001  12.056
  197   HH21  ARG  24          HH11      ARG  24  37.445   4.016  10.562
  198   HH22  ARG  24          HH12      ARG  24  36.484   3.388  11.860
  199    H    SER  25           HN       SER  25  34.889   5.158   5.509
  200    HA   SER  25           HA       SER  25  36.679   6.052   3.316
  201    HB2  SER  25           HB2      SER  25  37.782   3.733   4.178
  202    HB3  SER  25           HB1      SER  25  38.139   5.305   4.903
  203    HG   SER  25           HG       SER  25  37.198   4.628   6.662
  204    H    LYS  26           HN       LYS  26  33.819   4.544   3.360
  205    HA   LYS  26           HA       LYS  26  34.209   2.070   2.012
  206    HB2  LYS  26           HB2      LYS  26  31.999   3.880   2.449
  207    HB3  LYS  26           HB1      LYS  26  31.995   3.347   0.769
  208    HG2  LYS  26           HG2      LYS  26  32.072   1.544   3.212
  209    HG3  LYS  26           HG1      LYS  26  30.690   1.792   2.148
  210    HD2  LYS  26           HD2      LYS  26  31.538   0.439   0.512
  211    HD3  LYS  26           HD1      LYS  26  33.202   0.955   0.805
  212    HE2  LYS  26           HE2      LYS  26  33.228  -1.259   1.591
  213    HE3  LYS  26           HE1      LYS  26  32.946  -0.339   3.061
  214    HZ1  LYS  26           HZ1      LYS  26  30.872  -1.673   1.413
  215    HZ2  LYS  26           HZ2      LYS  26  30.552  -0.686   2.761
  216    HZ3  LYS  26           HZ3      LYS  26  31.404  -2.154   2.954
  217    H    ASP  27           HN       ASP  27  33.951   5.375   0.775
  218    HA   ASP  27           HA       ASP  27  34.340   4.917  -1.989
  219    HB2  ASP  27           HB2      ASP  27  33.943   7.158  -1.428
  220    HB3  ASP  27           HB1      ASP  27  35.097   7.116  -0.090
  221    H    LEU  28           HN       LEU  28  36.841   5.724   0.407
  222    HA   LEU  28           HA       LEU  28  39.027   4.913  -1.267
  223    HB2  LEU  28           HB2      LEU  28  38.978   6.449   0.870
  224    HB3  LEU  28           HB1      LEU  28  39.216   4.926   1.734
  225    HG   LEU  28           HG       LEU  28  41.221   4.466   0.338
  226   HD11  LEU  28          HD11      LEU  28  42.025   6.741  -0.835
  227   HD12  LEU  28          HD12      LEU  28  40.284   6.974  -0.987
  228   HD13  LEU  28          HD13      LEU  28  41.048   5.550  -1.693
  229   HD21  LEU  28          HD21      LEU  28  42.644   6.315   1.280
  230   HD22  LEU  28          HD22      LEU  28  41.573   5.576   2.471
  231   HD23  LEU  28          HD23      LEU  28  41.165   7.141   1.768
  232    H    ARG  29           HN       ARG  29  36.703   2.937  -0.385
  233    HA   ARG  29           HA       ARG  29  38.476   0.727   0.540
  234    HB2  ARG  29           HB2      ARG  29  36.089   1.219   1.486
  235    HB3  ARG  29           HB1      ARG  29  35.520   0.440   0.008
  236    HG2  ARG  29           HG2      ARG  29  37.562  -0.852   1.823
  237    HG3  ARG  29           HG1      ARG  29  35.837  -1.059   2.077
  238    HD2  ARG  29           HD2      ARG  29  35.545  -2.219   0.046
  239    HD3  ARG  29           HD1      ARG  29  37.074  -1.639  -0.617
  240    HE   ARG  29           HE       ARG  29  36.760  -4.021   0.943
  241   HH11  ARG  29          HH21      ARG  29  38.786  -1.251   0.516
  242   HH12  ARG  29          HH22      ARG  29  40.191  -2.001   1.193
  243   HH21  ARG  29          HH11      ARG  29  38.591  -5.033   1.793
  244   HH22  ARG  29          HH12      ARG  29  40.082  -4.162   1.900
  245    H    HIS  30           HN       HIS  30  35.867   1.171  -1.851
  246    HA   HIS  30           HA       HIS  30  37.028  -0.896  -3.566
  247    HB2  HIS  30           HB2      HIS  30  35.180  -0.252  -5.125
  248    HB3  HIS  30           HB1      HIS  30  34.614  -0.690  -3.506
  249    HD1  HIS  30           HD1      HIS  30  34.886   2.189  -5.874
  250    HD2  HIS  30           HD2      HIS  30  33.721   1.553  -1.908
  251    HE1  HIS  30           HE1      HIS  30  33.678   4.290  -5.128
  252    HE2  HIS  30           HE2      HIS  30  32.956   3.911  -2.725
  253    H    ALA  31           HN       ALA  31  36.847   2.645  -3.470
  254    HA   ALA  31           HA       ALA  31  38.207   3.090  -5.984
  255    HB1  ALA  31           HB1      ALA  31  38.584   5.312  -5.221
  256    HB2  ALA  31           HB2      ALA  31  38.516   4.824  -3.527
  257    HB3  ALA  31           HB3      ALA  31  37.041   4.858  -4.494
  258    H    PHE  32           HN       PHE  32  39.191   2.158  -2.773
  259    HA   PHE  32           HA       PHE  32  42.038   2.462  -3.320
  260    HB2  PHE  32           HB2      PHE  32  41.484   2.492  -1.029
  261    HB3  PHE  32           HB1      PHE  32  40.395   1.121  -1.195
  262    HD1  PHE  32           HD2      PHE  32  43.939   2.159  -1.034
  263    HD2  PHE  32           HD1      PHE  32  41.205  -1.152  -1.099
  264    HE1  PHE  32           HE2      PHE  32  45.777   0.627  -0.374
  265    HE2  PHE  32           HE1      PHE  32  43.038  -2.681  -0.433
  266    HZ   PHE  32           HZ       PHE  32  45.325  -1.794  -0.073
  267    H    ARG  33           HN       ARG  33  40.090  -0.455  -2.679
  268    HA   ARG  33           HA       ARG  33  41.732  -2.440  -3.658
  269    HB2  ARG  33           HB2      ARG  33  38.744  -2.088  -3.834
  270    HB3  ARG  33           HB1      ARG  33  39.519  -3.534  -4.476
  271    HG2  ARG  33           HG2      ARG  33  40.638  -3.096  -1.923
  272    HG3  ARG  33           HG1      ARG  33  38.897  -2.883  -1.740
  273    HD2  ARG  33           HD2      ARG  33  39.733  -5.277  -1.463
  274    HD3  ARG  33           HD1      ARG  33  38.442  -5.053  -2.648
  275    HE   ARG  33           HE       ARG  33  41.066  -4.856  -3.881
  276   HH11  ARG  33          HH21      ARG  33  38.643  -7.003  -2.648
  277   HH12  ARG  33          HH22      ARG  33  39.095  -8.314  -3.681
  278   HH21  ARG  33          HH11      ARG  33  41.666  -6.555  -5.235
  279   HH22  ARG  33          HH12      ARG  33  40.810  -8.062  -5.154
  280    H    SER  34           HN       SER  34  39.561  -0.444  -5.550
  281    HA   SER  34           HA       SER  34  40.291  -1.860  -7.983
  282    HB2  SER  34           HB2      SER  34  37.992  -0.916  -7.085
  283    HB3  SER  34           HB1      SER  34  38.526   0.543  -7.931
  284    HG   SER  34           HG       SER  34  38.527  -0.549  -9.834
  285    H    MET  35           HN       MET  35  41.741   0.645  -6.390
  286    HA   MET  35           HA       MET  35  42.953   1.611  -8.939
  287    HB2  MET  35           HB2      MET  35  42.112   3.417  -6.647
  288    HB3  MET  35           HB1      MET  35  42.977   3.926  -8.095
  289    HG2  MET  35           HG2      MET  35  40.316   2.524  -8.329
  290    HG3  MET  35           HG1      MET  35  40.389   4.260  -8.010
  291    HE1  MET  35           HE1      MET  35  43.279   4.957 -10.115
  292    HE2  MET  35           HE2      MET  35  42.073   5.645  -9.032
  293    HE3  MET  35           HE3      MET  35  41.960   5.938 -10.765
  294    H    PHE  36           HN       PHE  36  43.128   2.103  -5.425
  295    HA   PHE  36           HA       PHE  36  45.893   2.539  -5.200
  296    HB2  PHE  36           HB2      PHE  36  43.691   1.846  -3.442
  297    HB3  PHE  36           HB1      PHE  36  45.184   1.050  -2.938
  298    HD1  PHE  36           HD2      PHE  36  47.249   2.428  -2.519
  299    HD2  PHE  36           HD1      PHE  36  43.398   4.207  -3.202
  300    HE1  PHE  36           HE2      PHE  36  48.066   4.567  -1.570
  301    HE2  PHE  36           HE1      PHE  36  44.217   6.345  -2.252
  302    HZ   PHE  36           HZ       PHE  36  46.552   6.527  -1.438
  303    HA   PRO  37           HA       PRO  37  47.169  -1.703  -6.165
  304    HB2  PRO  37           HB2      PRO  37  49.651  -1.174  -6.913
  305    HB3  PRO  37           HB1      PRO  37  48.315  -0.552  -7.912
  306    HG2  PRO  37           HG2      PRO  37  49.905   0.863  -5.804
  307    HG3  PRO  37           HG1      PRO  37  49.520   1.382  -7.438
  308    HD2  PRO  37           HD2      PRO  37  48.063   2.176  -5.248
  309    HD3  PRO  37           HD1      PRO  37  47.364   2.055  -6.884
  310    H    SER  38           HN       SER  38  48.909   0.686  -4.207
  311    HA   SER  38           HA       SER  38  50.325   0.427  -2.350
  312    HB2  SER  38           HB2      SER  38  48.267  -1.734  -2.119
  313    HB3  SER  38           HB1      SER  38  49.567  -1.645  -0.922
  314    HG   SER  38           HG       SER  38  48.347  -0.167  -0.033
  315    H    ALA  39           HN       ALA  39  51.185  -0.588  -4.862
  316    HA   ALA  39           HA       ALA  39  52.106  -3.317  -4.517
  317    HB1  ALA  39           HB1      ALA  39  52.918  -1.437  -6.733
  318    HB2  ALA  39           HB2      ALA  39  51.348  -2.237  -6.706
  319    HB3  ALA  39           HB3      ALA  39  52.823  -3.196  -6.777
  320    H    GLU  40           HN       GLU  40  53.279  -0.803  -2.979
  321    HA   GLU  40           HA       GLU  40  56.057  -0.711  -3.720
  322    HB2  GLU  40           HB2      GLU  40  54.385   0.325  -1.556
  323    HB3  GLU  40           HB1      GLU  40  55.959  -0.203  -0.965
  324    HG2  GLU  40           HG2      GLU  40  56.651   1.855  -1.639
  325    HG3  GLU  40           HG1      GLU  40  56.681   1.130  -3.245