NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2735 8.1233 123.5819 52.9198 19.1996 177.3071 3 K 4.3562 8.1814 113.7589 55.4995 30.3464 170.4911 4 E 4.1570 8.2769 121.0230 55.1623 30.9681 175.7660 5 P 4.3962 0.0000 0.0000 62.4684 32.3274 175.1794 6 C 3.9995 8.0551 118.8531 60.0981 29.9574 174.8963 7 V 3.6816 7.8483 119.9390 65.0117 30.5108 176.7961 8 E 3.8759 8.2159 118.8047 58.8647 29.0610 178.7563 9 S 4.4687 7.7069 114.3352 59.5450 63.4231 176.2619 10 L 4.1375 7.6279 122.5815 57.7978 41.5985 179.4268 11 V 3.4679 8.0821 112.6354 63.6097 31.6599 178.3183 12 S 4.1203 7.3145 113.0569 60.1384 62.7336 176.4739 13 Q 3.9554 7.3935 122.3823 59.2826 28.6247 177.9159 14 Y 4.3965 7.5346 118.7593 58.6790 38.1078 177.4552 15 F 4.1341 7.2988 122.7597 61.4435 39.5983 177.0391 16 Q 4.0496 8.2270 117.3422 58.8331 27.9885 178.7695 17 T 4.1107 7.6117 117.3995 66.4909 68.3459 176.9236 18 V 3.8309 7.6124 119.1917 64.1952 31.8089 178.1896 19 T 3.9774 7.4141 117.4527 66.6314 68.3221 176.4824 20 D 4.4164 8.1135 120.6135 57.2268 40.6757 178.1096 21 Y 4.3871 7.8059 120.6449 60.7363 38.7760 178.4417 22 G 3.4016 7.8855 106.2273 47.3835 0.0000 175.9670 23 K 4.0133 7.7650 120.3860 59.3681 31.9215 178.9920 24 D 4.6084 8.0896 120.6598 56.8422 40.5768 178.8255 25 L 3.9012 7.5343 119.2457 57.6854 41.5558 179.1464 26 M 3.9963 7.8698 118.4230 58.6391 31.8049 178.1826 27 E 4.0066 8.1494 118.7858 59.2024 29.3854 179.3574 28 K 4.1223 7.5138 117.5084 58.7615 32.6888 178.9343 29 V 3.8642 7.4267 118.6134 65.0157 31.1937 177.8804 30 K 4.5498 8.2118 119.5277 57.8818 31.8929 179.4368 31 S 4.1962 7.8699 115.1272 60.9099 62.7790 174.7594 32 P 4.3036 0.0000 0.0000 64.9526 31.3771 177.9441 33 E 4.1061 7.5830 118.4823 59.1798 29.1285 179.1255 34 L 4.3010 7.3304 116.4397 56.9252 42.3762 178.5766 35 Q 4.3020 7.9850 121.7371 56.5412 28.9889 174.7184 36 A 4.5225 8.1178 128.3817 50.0778 22.2491 175.6452 37 E 3.9065 8.8516 114.2997 59.4924 29.6532 179.5771 38 A 3.7431 7.8744 120.3663 54.7854 18.1670 179.5180 39 K 3.9750 7.6707 117.0900 59.1827 32.0455 179.5845 40 S 4.2166 7.7630 114.5192 61.6172 62.8451 175.9476 41 Y 4.1424 7.4867 118.1861 59.8809 37.5444 177.7206 42 F 4.7820 7.5092 118.2014 60.1502 39.2487 176.9335 43 E 4.2915 8.2224 118.1285 58.9989 29.5563 178.8491 44 K 4.2148 7.7022 118.1482 59.3505 31.7580 179.5398 45 S 4.4503 8.3595 114.6702 61.1583 62.7819 176.4095 46 K 4.2636 7.9609 121.2116 58.3294 31.7418 178.0194 47 E 4.4672 7.6615 116.7830 56.7984 29.4677 176.9296 48 Q 4.5101 7.7437 115.2537 55.1494 30.6002 176.9864 49 L 4.1185 7.5971 119.5662 58.3834 42.3047 178.8017 50 T 3.9857 7.6647 115.4659 66.1843 68.1344 175.0179 51 P 4.4420 0.0000 0.0000 64.3115 30.8241 178.1550 52 L 4.0211 7.5435 118.9362 58.2395 41.9363 178.8675 53 I 3.8253 7.7168 119.2718 64.0135 37.1602 178.2426 54 K 4.1899 7.6941 117.5523 58.3330 31.4917 178.8477 55 K 4.2147 7.7986 117.8846 58.0034 31.9952 178.2794 56 A 4.2447 7.9401 121.1985 53.8445 18.1046 179.5551 57 G 3.6280 7.9376 103.8260 46.9748 0.0000 174.7820 58 T 4.6102 7.5024 111.8781 62.5695 68.4293 174.1257 59 E 4.4460 7.8719 119.1220 58.7354 30.2648 177.2206 60 L 3.9450 7.4972 117.9773 57.7375 41.8750 179.7631 61 V 3.7056 7.6957 117.4552 66.0518 31.5169 177.5215 62 N 4.6225 8.2149 114.8089 55.2121 38.4981 177.3441 63 F 4.1394 8.0904 119.9888 60.4728 38.8899 177.3831 64 L 4.6176 7.8037 116.5923 56.7601 41.1783 179.4729 65 S 4.1192 7.5410 113.1604 61.4784 62.2204 175.4063 66 Y 4.7061 7.2022 119.6442 58.8195 37.6411 177.6746 67 F 4.2270 6.5082 119.6249 60.3764 39.2869 177.2586 68 V 3.8141 7.5646 116.6798 65.4668 31.1473 178.0035 69 E 3.9102 7.8555 118.3905 59.4045 29.4011 178.2814 70 L 4.5907 7.9698 117.3398 54.9338 41.9162 176.6093 71 G 4.2477 7.9236 102.2759 44.9362 0.0000 173.7955 72 T 4.4893 7.7851 114.0402 65.2368 72.2665 176.1808 73 Q 4.0205 7.9830 119.4290 58.4927 28.6835 176.3075 74 P 4.3348 0.0000 0.0000 64.3640 31.8492 175.9512 75 A 4.2036 7.5112 126.4153 52.4198 18.5203 176.8958 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 2 A 8.12 4.27 1.24 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 0.00 0.00 0.00 3 K 8.18 4.36 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 4 E 8.28 4.16 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 5 P 0.00 4.40 0.00 2.21 2.20 0.00 3.92 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 6 C 8.06 4.00 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.85 3.68 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 0.95 0.00 0.00 8 E 8.22 3.88 0.00 1.99 1.98 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 2.36 2.34 0.00 9 S 7.71 4.47 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.63 4.14 0.00 1.88 1.79 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.08 3.47 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.90 0.00 0.00 12 S 7.31 4.12 0.00 3.95 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.39 3.96 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 14 Y 7.53 4.40 0.00 3.13 3.25 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 0.00 0.00 0.00 0.00 15 F 7.30 4.13 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.23 4.05 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 17 T 7.61 4.11 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 V 7.61 3.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.88 0.00 0.00 19 T 7.41 3.98 4.30 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 0.00 0.00 0.00 1.17 0.00 0.00 20 D 8.11 4.42 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.81 4.39 0.00 2.98 3.10 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 0.00 0.00 0.00 22 G 7.89 3.40 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 0.00 23 K 7.76 4.01 0.00 1.97 1.84 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.73 7.81 24 D 8.09 4.61 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.53 3.90 0.00 1.59 1.54 0.34 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.87 4.00 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 27 E 8.15 4.01 0.00 2.22 1.97 0.00 0.00 0.00 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 2.57 0.00 28 K 7.51 4.12 0.00 1.85 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.65 7.81 29 V 7.43 3.86 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 1.08 0.00 0.00 0.96 0.00 0.00 30 K 8.21 4.55 0.00 2.00 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.51 7.81 31 S 7.87 4.20 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.30 0.00 2.24 2.22 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 33 E 7.58 4.11 0.00 2.24 2.05 0.00 0.00 0.00 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 2.52 0.00 34 L 7.33 4.30 0.00 1.69 1.76 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.98 4.30 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 36 A 8.12 4.52 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.85 3.91 0.00 1.98 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 2.34 2.30 0.00 38 A 7.87 3.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.67 3.98 0.00 1.88 1.91 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.57 7.81 40 S 7.76 4.22 0.00 3.94 4.04 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 41 Y 7.49 4.14 0.00 3.00 2.92 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 42 F 7.51 4.78 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.22 4.29 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 44 K 7.70 4.21 0.00 2.19 1.92 0.00 1.88 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.22 7.81 45 S 8.36 4.45 0.00 4.15 4.27 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 0.00 0.00 0.00 0.00 46 K 7.96 4.26 0.00 2.03 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.70 7.81 47 E 7.66 4.47 0.00 2.10 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 2.35 2.55 0.00 48 Q 7.74 4.51 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.09 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 49 L 7.60 4.12 0.00 2.00 1.70 0.92 0.75 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 50 T 7.66 3.99 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.44 0.00 2.16 2.10 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 52 L 7.54 4.02 0.00 2.03 1.80 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.72 3.83 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.91 0.00 0.00 54 K 7.69 4.19 0.00 2.06 1.86 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 55 K 7.80 4.21 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.73 7.81 56 A 7.94 4.24 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.94 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.50 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 59 E 7.87 4.45 0.00 2.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 60 L 7.50 3.94 0.00 1.85 1.70 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.70 3.71 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 62 N 8.21 4.62 0.00 3.10 2.94 0.00 0.00 7.15 8.13 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 63 F 8.09 4.14 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.80 4.62 0.00 1.86 1.80 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.54 4.12 0.00 3.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.20 4.71 0.00 3.03 2.99 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 0.00 0.00 0.00 67 F 6.51 4.23 0.00 3.09 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 68 V 7.56 3.81 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.03 0.00 0.00 69 E 7.86 3.91 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 70 L 7.97 4.59 0.00 1.65 1.73 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.92 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.79 4.49 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 1.22 0.00 0.00 73 Q 7.98 4.02 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 74 P 0.00 4.33 0.00 2.19 2.19 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 75 A 7.51 4.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00