NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  100   Y  4.6631 8.1444 121.6970 57.4988 39.7399 173.8803
  101   D  4.5536 8.9036 127.0880 52.1628 42.0815 170.0137
  102   V  4.1373 7.6477 120.5253 59.0125 34.1354 174.2038
  103   P  4.4824 0.0000   0.0000 61.8977 32.4173 175.6627
  104   D  4.3715 8.3643 118.9902 54.2893 41.5572 176.8440
  105   Y  4.2261 8.4766 122.9393 58.9219 38.0076 176.4463
  106   A  4.5757 7.7541 122.1554 51.9604 19.5574 177.5944
  107   S  4.4057 7.7578 113.1572 57.4092 60.6367 174.1664
  108   L  4.3712 7.8575 123.8979 54.2948 42.0930 176.5639

  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   
  100   Y  8.14 4.66 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  101   D  8.90 4.55 0.00 2.76 2.57 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 
  102   V  7.65 4.14 1.90 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 -0.05 0.00 0.00 0.79 0.00 0.00 
  103   P  0.00 4.48 0.00 2.16 2.04 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 
  104   D  8.36 4.37 0.00 2.58 2.44 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 
  105   Y  8.48 4.23 0.00 3.04 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 
  106   A  7.75 4.58 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 
  107   S  7.76 4.41 0.00 3.86 3.79 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 
  108   L  7.86 4.37 0.00 1.62 1.50 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00