NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2562 8.4444 121.4758 56.1327 30.7119 174.8558
  2     Q  4.4255 8.4139 126.8835 53.3639 30.9703 172.6192
  3     Y  4.4120 9.1758 124.2409 57.7046 40.9043 175.4823
  4     K  4.6260 6.0608 118.8937 55.9231 32.0909 175.7755
  5     F  3.9815 7.4101 117.7798 56.2074 40.8887 175.2268
  6     Y  5.0326 8.4265 123.7904 56.0289 41.0741 176.2909
  7     S  4.4363 7.1022 118.8067 58.0444 64.6974 174.8817
  8     V  3.9026 7.8305 121.3461 64.1281 31.4864 175.7567

  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     E  8.44 4.26 0.00 1.96 1.96 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 2.22 2.27 0.00 
  2     Q  8.41 4.43 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 
  3     Y  9.18 4.41 0.00 2.62 2.21 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     K  6.06 4.63 0.00 1.33 1.52 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.30 7.81 
  5     F  7.41 3.98 0.00 3.03 3.14 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     Y  8.43 5.03 0.00 2.85 2.93 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 
  7     S  7.10 4.44 0.00 3.43 3.63 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     V  7.83 3.90 2.04 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 0.75 0.00 0.00 0.93 0.00 0.00