NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4908 8.3349 116.7625 58.2326 64.3185 172.8589
  2     W  4.5769 8.2708 123.2561 54.4004 32.0252 169.9042
  3     V  4.0531 9.4022 113.4080 61.3046 32.8568 175.7956
  4     Y  4.3668 8.4030 121.1729 58.1493 38.5069 175.2721
  5     S  4.9012 8.2731 116.8963 55.7271 66.6500 172.5434
  6     P  4.3764 0.0000   0.0000 62.5145 31.7563 176.6072
  7     L  4.0348 8.6885 124.2235 57.8080 42.2744 176.6248
  8     H  4.5463 7.9562 118.3908 55.8756 29.2436 173.4825

  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   
  1     S  8.33 4.49 0.00 3.81 3.83 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 
  2     W  8.27 4.58 0.00 3.45 2.91 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 
  3     V  9.40 4.05 2.17 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 0.89 0.00 0.00 1.02 0.00 0.00 
  4     Y  8.40 4.37 0.00 3.02 2.88 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 
  5     S  8.27 4.90 0.00 3.83 3.73 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 
  6     P  0.00 4.38 0.00 2.05 2.00 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 
  7     L  8.69 4.03 0.00 1.52 1.54 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 
  8     H  7.96 4.55 0.00 3.12 3.14 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00