NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2400 8.2544 120.8604 56.1047 31.1061 174.5590
  2     I  3.9759 8.1612 125.7066 58.6361 39.0837 173.4977
  3     I  3.7881 9.0505 127.5814 60.8639 39.3245 173.6160
  4     P  4.4113 0.0000   0.0000 65.0690 31.3715 176.6852
  5     R  4.7764 7.6154 113.5036 54.6421 33.9555 173.9947
  6     H  4.9502 8.3832 115.7821 53.8709 30.7737 175.3781
  7     L  4.0498 8.2042 121.9721 55.0285 41.9932 177.6898
  8     Q  4.3240 8.3412 121.7956 54.4806 27.9618 176.0486
  9     L  4.1740 8.2791 121.8862 54.8979 41.6523 177.5145

  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     R  8.25 4.24 0.00 1.79 1.92 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 
  2     I  8.16 3.98 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 0.92 0.00 0.00 
  3     I  9.05 3.79 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 1.42 0.93 0.92 0.00 0.00 
  4     P  0.00 4.41 0.00 2.09 2.10 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 
  5     R  7.62 4.78 0.00 1.75 1.81 0.00 3.35 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 
  6     H  8.38 4.95 0.00 3.06 3.22 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     L  8.20 4.05 0.00 1.63 1.60 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 
  8     Q  8.34 4.32 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 
  9     L  8.28 4.17 0.00 1.64 1.59 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00