NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  -3    S  4.4233 8.3349 116.7949 59.5529 64.2449 171.6934
  -2    V  4.0187 7.6906 112.5166 61.3214 34.9383 170.5702
  -1    L  4.4451 8.8919 122.1403 53.6692 44.8728 175.4737
  -2    T  4.2487 7.8106 106.9166 60.9214 71.8383 168.9702
  -1    A  4.4251 8.9719 124.1403 51.0692 21.5728 175.6737
  3     V  4.3614 8.0146 119.1655 60.9722 33.8818 174.7984
  4     Q  4.4798 8.3390 126.4641 53.5929 30.1388 173.6526
  5     P  4.4269 0.0000   0.0000 63.1130 31.3423 176.0299

  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   
  -3    S  8.33 4.42 0.00 3.88 3.92 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    V  7.69 4.02 2.08 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 0.59 0.00 0.00 0.93 0.00 0.00 
  -1    L  8.89 4.45 0.00 1.62 1.63 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 
  -2    T  7.81 4.25 4.24 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 
  -1    A  8.97 4.43 1.40 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 
  3     V  8.01 4.36 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 
  4     Q  8.34 4.48 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 
  5     P  0.00 4.43 0.00 2.21 2.02 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00