NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  45    D  4.4942 8.3493 120.1852 53.5259 43.0119 174.7356
  46    E  4.5508 7.6606 114.5976 53.6627 32.3907 175.2682
  47    D  4.7184 9.0892 119.1696 54.4453 38.9681 176.3900
  48    V  4.5145 7.1281 114.1340 58.6563 36.4215 175.1135
  49    K  3.8071 8.6846 121.3192 57.2907 32.5485 177.3007
  50    D  4.8226 8.5037 127.1232 53.3967 37.9092 176.9634
  51    N  4.8286 7.6996 113.7678 52.6322 37.1355 176.4988
  52    W  4.9812 7.5841 122.3675 57.7907 31.5554 173.9219
  53    D  4.1032 7.5748 113.0442 52.0257 38.9920 173.6254
  54    D  4.3573 8.3652 125.8193 54.0119 41.6132 175.8850
  55    D  4.5196 8.7015 125.5927 54.7989 40.7578 176.3262

  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   
  45    D  8.35 4.49 0.00 2.56 2.71 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 
  46    E  7.66 4.55 0.00 2.16 1.92 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 2.16 2.39 0.00 
  47    D  9.09 4.72 0.00 2.69 2.69 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 
  48    V  7.13 4.51 2.09 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 0.99 0.00 0.00 
  49    K  8.68 3.81 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.47 7.81 
  50    D  8.50 4.82 0.00 3.07 2.76 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 
  51    N  7.70 4.83 0.00 2.93 2.99 0.00 0.00 6.21 8.94 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 
  52    W  7.58 4.98 0.00 3.32 3.02 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 
  53    D  7.57 4.10 0.00 2.69 2.52 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 
  54    D  8.37 4.36 0.00 2.58 2.56 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 
  55    D  8.70 4.52 0.00 2.69 2.56 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