NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  865   K  4.2162 8.3149 121.7682 56.3124 33.1401 175.2790
  866   Y  4.2568 8.0120 124.1688 57.0557 40.7233 172.7276
  867   G  3.8260 8.2099 113.2016 45.5337  0.0000 170.7248
  868   L  4.3809 8.4163 121.7842 53.8860 41.6708 175.6086
  869   Q  4.4842 8.4715 126.3469 55.9797 29.4192 175.5367
  870   D  4.5970 8.3330 123.6952 55.0454 39.0226 176.3634

  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   
  865   K  8.31 4.22 0.00 1.64 1.63 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.47 7.81 
  866   Y  8.01 4.26 0.00 3.02 2.84 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 
  867   G  8.21 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 0.00 0.00 0.00 
  868   L  8.42 4.38 0.00 1.63 1.62 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 
  869   Q  8.47 4.48 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 
  870   D  8.33 4.60 0.00 2.80 2.75 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