NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  40    Q  4.3325 8.3444 121.7111 55.5279 30.2658 174.3255
  41    N  4.2339 9.1890 125.0594 53.1992 38.8863 172.3569
  42    E  4.1239 9.5222 127.0589 58.6388 30.9833 177.7902
  43    E  4.1814 8.6888 119.0353 58.3770 29.6147 177.1768
  44    N  4.8290 7.9858 111.4843 51.4718 38.5259 175.1971
  45    G  3.9373 8.6445 107.5106 45.7237  0.0000 173.9975
  46    E  4.1261 8.6753 122.5583 56.2952 30.1078 177.2940
  47    Q  4.3480 8.3203 122.3745 55.7511 29.0294 177.7778
  48    E  4.6628 8.8883 111.2380 57.2300 30.0269 175.8062

  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   
  40    Q  8.34 4.33 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 
  41    N  9.19 4.23 0.00 2.76 2.92 0.00 0.00 6.83 6.77 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 
  42    E  9.52 4.12 0.00 2.00 1.99 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 2.31 2.27 0.00 
  43    E  8.69 4.18 0.00 2.10 2.00 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 2.34 2.24 0.00 
  44    N  7.99 4.83 0.00 2.75 2.86 0.00 0.00 6.06 7.00 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 
  45    G  8.64 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  46    E  8.68 4.13 0.00 2.03 1.87 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 2.33 2.46 0.00 
  47    Q  8.32 4.35 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.62 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 
  48    E  8.89 4.66 0.00 2.05 2.04 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 2.04 1.67 0.00