NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  50    D  4.5734 8.3644 120.1657 53.2841 43.1723 174.8544
  51    K  4.4470 7.4771 118.0120 54.1862 34.9999 173.6688
  52    Y  4.5158 8.8327 123.7759 56.3279 40.5429 174.4278
  53    E  4.2811 8.6814 123.9535 54.9775 30.5530 174.8642
  54    P  4.4000 0.0000   0.0000 62.9908 31.9801 175.3110
  55    F  5.0982 7.4324 114.7507 55.9271 41.0427 173.8782
  56    W  3.7162 9.1154 135.0000 57.1795 29.7697 173.6136
  57    E  4.1532 8.2556 121.3740 56.6830 30.0466 173.8848

  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   
  50    D  8.36 4.57 0.00 2.61 2.68 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 
  51    K  7.48 4.45 0.00 1.77 1.59 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.58 7.81 
  52    Y  8.83 4.52 0.00 3.10 3.02 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 
  53    E  8.68 4.28 0.00 2.00 1.97 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 2.39 2.39 0.00 
  54    P  0.00 4.40 0.00 2.11 1.96 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 
  55    F  7.43 5.10 0.00 3.28 3.04 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 
  56    W  9.12 3.72 0.00 3.57 3.67 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 
  57    E  8.26 4.15 0.00 2.11 1.85 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 2.15 2.28 0.00