NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 80 D 4.7327 8.3649 120.3337 52.8307 41.5949 175.4541 81 L 4.3783 7.4589 117.3209 51.4763 45.6308 173.3163 82 Y 4.7115 6.8737 117.5669 55.4719 41.0266 171.8763 83 P 4.5159 0.0000 0.0000 62.9652 32.1306 176.6040 84 V 4.3531 8.3706 112.4376 61.3822 33.4304 176.3249 85 T 4.5658 7.4694 110.8370 59.7141 72.0579 175.1275 86 L 3.7759 8.2326 122.8218 58.3689 42.0701 179.2740 87 W 4.1798 8.0992 118.3205 59.4178 29.0143 178.7637 88 G 3.6897 8.3476 106.0528 47.7642 0.0000 176.1224 89 R 3.9790 8.3124 120.5684 59.0451 30.0429 179.0750 90 L 3.9452 8.0955 118.9827 57.6976 41.5580 179.7588 91 V 3.6697 8.1908 118.2038 65.7702 31.3880 177.8532 92 A 4.0215 8.2235 120.8507 55.3341 18.1605 179.7811 93 V 3.5458 8.1348 116.9867 66.0569 31.4796 178.4684 94 V 3.5839 7.7134 117.7243 65.7948 31.3327 178.1613 95 V 3.5713 7.8452 117.9644 66.2965 31.4372 177.5319 96 M 4.0328 8.2992 118.7283 58.7993 31.8425 179.0268 97 V 3.6511 8.1782 118.0366 65.9484 31.6358 177.9422 98 A 4.0636 8.5370 121.1625 55.0115 18.1281 179.9326 99 G 3.5008 8.5364 104.7155 48.0430 0.0000 176.0825 100 I 3.8935 8.3824 122.8914 64.3786 36.9983 178.7700 101 T 3.9144 8.1690 116.7405 66.6340 68.2907 177.0503 102 S 3.9953 8.1174 117.1076 61.7368 62.8895 176.8980 103 F 4.4223 8.2928 120.7693 60.3415 38.4815 178.0810 104 G 3.6628 8.3706 105.7479 47.5657 0.0000 175.6217 105 L 3.9504 8.2192 123.0990 57.8156 41.9739 179.3300 106 V 3.5529 7.8011 118.2796 66.2499 31.5717 178.0204 107 T 3.8446 8.0216 115.2804 66.8285 68.3563 176.4627 108 A 4.0590 8.3655 122.2700 54.7772 18.3201 179.4516 109 A 4.0441 7.9373 119.6268 54.9934 18.5552 179.7279 110 L 3.9423 8.2086 117.5835 57.1939 41.5375 179.5651 111 A 3.9428 7.6210 120.7197 55.4504 18.4906 179.7036 112 T 3.8862 7.9256 114.3106 66.3935 68.4751 176.6933 113 W 4.3539 8.2075 130.2256 60.7491 30.8402 178.0939 114 F 4.1965 8.0441 117.7625 60.5367 38.1481 177.9281 115 V 3.7275 8.4760 118.5220 65.8142 31.1241 178.3444 116 G 3.6896 7.9721 104.3917 48.1026 0.0000 175.7632 117 R 4.0946 8.1326 120.6673 58.4322 29.5552 178.6037 118 E 3.9549 8.2158 119.1846 58.6570 29.4170 178.1094 119 Q 3.8903 7.6478 116.5811 57.4156 28.8841 176.9447 120 E 4.2517 7.7807 120.8791 58.0538 29.6655 177.1632 121 R 4.3018 7.2258 116.0571 56.5315 30.1195 176.2406 122 R 4.2159 7.5359 120.9581 56.7113 30.7906 175.1014 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 80 D 8.36 4.73 0.00 2.82 2.90 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 0.00 0.00 0.00 0.00 81 L 7.46 4.38 0.00 1.66 1.46 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 6.87 4.71 0.00 3.03 2.94 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 83 P 0.00 4.52 0.00 2.27 2.15 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 84 V 8.37 4.35 2.14 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 0.90 0.00 0.00 0.96 0.00 0.00 85 T 7.47 4.57 4.32 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 1.26 0.00 0.00 86 L 8.23 3.78 0.00 1.62 1.54 0.57 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.10 4.18 0.00 3.49 3.28 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 88 G 8.35 3.69 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 0.00 0.00 0.00 89 R 8.31 3.98 0.00 1.96 1.97 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 90 L 8.10 3.95 0.00 1.87 1.73 -0.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.19 3.67 2.38 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 1.06 0.00 0.00 1.12 0.00 0.00 92 A 8.22 4.02 1.44 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 0.00 0.00 93 V 8.13 3.55 2.22 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 1.08 0.00 0.00 0.92 0.00 0.00 94 V 7.71 3.58 2.25 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 1.03 0.00 0.00 1.01 0.00 0.00 95 V 7.85 3.57 2.27 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 1.07 0.00 0.00 1.04 0.00 0.00 96 M 8.30 4.03 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.60 0.00 97 V 8.18 3.65 2.17 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 1.09 0.00 0.00 0.96 0.00 0.00 98 A 8.54 4.06 1.35 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 99 G 8.54 3.50 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 0.00 100 I 8.38 3.89 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.07 0.96 0.00 0.00 101 T 8.17 3.91 4.37 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 1.20 0.00 0.00 102 S 8.12 4.00 0.00 3.50 3.59 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 0.00 103 F 8.29 4.42 0.00 3.16 3.04 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 0.00 0.00 0.00 104 G 8.37 3.66 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 0.00 105 L 8.22 3.95 0.00 1.94 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.80 3.55 2.30 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 1.09 0.00 0.00 0.99 0.00 0.00 107 T 8.02 3.84 4.44 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 1.23 0.00 0.00 108 A 8.37 4.06 1.38 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 0.00 109 A 7.94 4.04 1.37 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 0.00 110 L 8.21 3.94 0.00 1.67 1.25 0.93 0.87 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 0.00 111 A 7.62 3.94 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 0.00 112 T 7.93 3.89 4.29 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 1.26 0.00 0.00 113 W 8.21 4.35 0.00 3.37 3.22 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 0.00 114 F 8.04 4.20 0.00 3.13 2.85 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 0.00 115 V 8.48 3.73 2.20 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 1.04 0.00 0.00 0.98 0.00 0.00 116 G 7.97 3.69 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 0.00 0.00 0.00 117 R 8.13 4.09 0.00 1.65 1.88 0.00 3.35 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 118 E 8.22 3.95 0.00 2.13 2.10 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 2.27 2.36 0.00 119 Q 7.65 3.89 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.70 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 120 E 7.78 4.25 0.00 1.99 2.13 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 2.27 2.31 0.00 121 R 7.23 4.30 0.00 1.75 1.86 0.00 3.20 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 122 R 7.54 4.22 0.00 1.78 1.74 0.00 3.24 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00