NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  42    T  4.3745 8.0327 115.2509 61.3273 68.6399 174.3855
  43    W  4.0571 8.8283 133.9005 59.7889 30.6843 175.4778
  44    L  4.2040 8.1458 116.0709 55.8217 42.5625 175.9125
  45    N  4.4347 7.5387 117.5717 52.5830 39.1759 172.5560
  46    P  4.3233 0.0000   0.0000 65.6894 31.6580 176.5680
  47    D  4.6668 8.1609 116.6556 52.0954 41.8067 172.4368
  48    P  4.4673 0.0000   0.0000 62.3610 32.4275 177.5896
  49    S  4.4102 8.5474 114.7798 57.8698 63.5991 174.4862
  50    Q  3.8191 8.0198 124.5468 56.4414 28.6364 173.3142

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  42    T  8.03 4.37 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 
  43    W  8.83 4.06 0.00 3.48 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  44    L  8.15 4.20 0.00 1.75 1.75 1.21 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 
  45    N  7.54 4.43 0.00 2.78 2.87 0.00 0.00 7.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  46    P  0.00 4.32 0.00 2.04 2.08 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 
  47    D  8.16 4.67 0.00 2.54 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  48    P  0.00 4.47 0.00 2.22 2.03 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 
  49    S  8.55 4.41 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  50    Q  8.02 3.82 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00