NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     I  4.1188 8.0093 114.2708 60.6266 38.8467 175.0463
  2     T  3.9067 8.1323 112.2131 60.4150 69.4354 172.0601
  3     D  4.5971 8.9987 123.3772 53.3593 43.0671 176.4627
  4     Q  4.2899 8.2946 121.0188 54.4618 29.4569 176.3840
  5     V  3.5205 8.3526 117.9608 61.5866 31.1992 174.5694
  6     P  4.4437 0.0000   0.0000 62.3063 31.9226 175.7636
  7     F  4.3409 8.5817 122.7196 57.7035 40.1261 175.5165
  8     S  4.2906 7.7521 122.9845 58.3915 63.4050 174.7937
  9     V  3.8741 8.2074 115.0625 61.8751 31.3133 176.3412

  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     I  8.01 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 0.91 0.00 0.00 
  2     T  8.13 3.91 4.25 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 1.21 0.00 0.00 
  3     D  9.00 4.60 0.00 2.67 2.64 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 
  4     Q  8.29 4.29 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 
  5     V  8.35 3.52 2.09 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 0.76 0.00 0.00 0.93 0.00 0.00 
  6     P  0.00 4.44 0.00 2.24 2.13 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 
  7     F  8.58 4.34 0.00 2.96 2.98 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 
  8     S  7.75 4.29 0.00 3.61 3.68 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 
  9     V  8.21 3.87 2.11 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 0.68 0.00 0.00 0.94 0.00 0.00