NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3202 8.2931 120.3451 55.2999 34.5268 176.2368 2 G 3.4729 7.4729 105.6988 43.8225 0.0000 166.7385 3 V 3.8041 8.7433 114.7442 61.0681 33.2795 174.2306 4 N 4.7493 8.3598 122.7540 51.6998 40.8785 174.0201 5 S 5.2996 8.2195 115.4158 56.8515 65.9707 173.3047 6 V 4.8132 8.9196 123.7193 60.9943 35.1055 172.7123 7 T 5.1647 8.7601 119.4266 61.9654 71.3460 173.1877 8 I 4.7845 8.7077 126.8099 59.4522 40.5470 175.0951 9 S 4.5257 8.9105 123.4631 58.2985 63.5250 173.9316 10 V 3.9141 8.4802 128.9785 60.7373 29.1136 176.1167 11 E 3.9075 8.5435 123.5256 58.6251 29.8544 178.5399 12 G 3.8767 8.0131 105.4339 45.7594 0.0000 173.0646 13 M 4.1500 7.4517 119.9969 53.9978 34.0970 175.8869 14 T 4.7788 8.3461 116.6144 63.6472 69.1228 171.7714 15 C 4.6743 7.4481 114.6744 56.8082 32.7889 173.8987 16 N 4.3044 8.8138 116.8654 56.9928 38.8247 177.0888 17 S 4.5111 7.9571 112.8464 60.6426 63.9897 176.3084 18 C 4.3378 8.2783 118.5176 63.0392 27.8127 176.0409 19 V 3.6754 7.8068 114.0130 64.1084 31.0774 178.4557 20 W 4.1433 8.0261 126.7086 60.7396 30.5026 177.9779 21 T 3.9616 8.4119 115.6800 66.9124 67.9650 176.4782 22 I 3.6678 7.6743 121.1743 64.5093 37.2649 178.2214 23 E 3.9655 7.8440 120.0111 59.0515 29.1526 178.9020 24 Q 3.6488 7.4938 117.5374 58.8432 29.1008 178.4393 25 Q 4.0421 8.0859 119.1068 59.1300 28.7652 178.8903 26 I 3.8260 8.2486 121.2208 64.1964 37.0646 178.4650 27 G 3.7349 7.7543 103.9525 46.0451 0.0000 173.6048 28 K 4.2894 7.4629 119.9447 55.7847 33.0247 175.9443 29 V 3.9084 7.8590 119.3904 62.3147 30.5846 175.9790 30 N 4.4807 8.7332 127.0582 55.9877 39.2254 176.1331 31 G 3.9292 7.9532 104.7382 48.9207 0.0000 174.6634 32 V 4.0962 7.7600 120.0697 63.1716 30.9419 175.9683 33 H 4.7041 9.2906 124.3055 58.0256 31.2514 174.4968 34 H 4.8080 7.9525 115.5695 54.8704 33.2089 172.0746 35 I 4.7843 7.9905 124.4277 59.0181 40.4962 174.2969 36 K 4.7674 9.1707 129.4144 54.7231 35.8485 175.0934 37 V 4.7219 8.3542 118.1327 59.9223 35.3792 175.7706 38 S 4.6900 9.0772 122.5841 56.0833 63.2021 174.6811 39 L 3.9766 8.4035 125.9437 58.0905 40.5221 179.4926 40 E 4.2367 8.0750 115.1881 57.2347 29.8647 176.5302 41 E 4.4191 8.1590 118.1730 55.2228 30.9052 176.6455 42 K 4.4426 7.9751 117.2135 57.0355 30.0862 174.0205 43 N 5.3343 7.4025 115.5999 51.4695 40.2635 173.8384 44 A 5.0303 9.0151 121.5960 50.7152 22.1850 175.0717 45 T 5.0951 8.9452 119.4860 62.1221 71.9108 173.4679 46 I 5.1147 8.8596 125.4466 59.5607 42.2871 173.3577 47 I 5.2178 8.9389 129.7286 59.8216 39.6887 174.2588 48 Y 5.2702 8.4391 123.8193 55.3940 42.2245 173.4901 49 D 4.9033 9.0445 122.3717 53.3529 41.8504 175.5789 50 P 4.9219 0.0000 0.0000 64.6102 31.8791 177.7564 51 K 4.1712 7.8147 116.7291 58.2994 32.0303 177.5202 52 L 4.6551 7.1331 115.4456 54.6903 43.3395 176.1879 53 Q 4.5684 7.5451 117.2598 54.2535 31.9073 172.5191 54 T 4.5843 8.0861 113.5128 58.5057 73.5143 173.1066 55 P 4.0265 0.0000 0.0000 65.6461 31.2401 178.7211 56 K 4.0134 7.9683 117.7091 59.9759 32.2662 178.5815 57 T 3.8480 7.7756 115.8624 66.8524 68.1108 176.5337 58 L 3.9760 7.5145 119.6486 57.6033 41.9627 179.2970 59 Q 4.1253 8.0749 118.0622 59.1418 28.8033 178.6441 60 E 3.9895 8.2934 119.2874 59.2877 29.1360 179.1785 61 A 4.0440 7.9670 120.6068 55.3034 18.3164 179.7753 62 I 3.6833 7.7120 117.9503 64.3261 37.0011 177.4790 63 D 4.5657 7.8312 116.2691 55.8292 41.1492 177.3342 64 D 4.4701 7.5906 118.2905 57.3375 41.0330 175.9309 65 M 4.2182 7.7673 118.4940 53.8657 34.5520 176.4236 66 G 3.7805 7.5488 108.2287 45.1109 0.0000 171.5155 67 F 5.3476 7.4048 116.0470 55.8161 43.6015 174.0594 68 D 5.0081 8.3061 118.7160 53.4463 44.7427 173.4536 69 A 5.1178 8.3307 122.8716 51.3768 22.6708 175.6940 70 V 4.4682 8.8315 118.6817 61.3168 35.4320 174.1357 71 I 4.1842 8.5052 128.7270 61.9308 36.9906 175.1061 72 H 4.6518 9.2704 125.1928 55.2823 32.8359 172.9777 73 N 4.6511 8.5813 121.5843 53.5721 40.5556 173.4801 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 1 M 8.29 4.32 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 2 G 7.47 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.74 3.80 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 0.44 0.00 0.00 0.83 0.00 0.00 4 N 8.36 4.75 0.00 1.54 1.99 0.00 0.00 5.78 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 5 S 8.22 5.30 0.00 3.78 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 6 V 8.92 4.81 2.29 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 0.79 0.00 0.00 0.99 0.00 0.00 7 T 8.76 5.16 4.33 0.00 0.00 0.00 0.00 0.00 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 8 I 8.71 4.78 1.86 0.00 0.00 0.83 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 0.81 0.91 0.00 0.00 9 S 8.91 4.53 0.00 3.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 3.91 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 0.82 0.00 0.00 0.90 0.00 0.00 11 E 8.54 3.91 0.00 2.11 2.03 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 2.48 2.28 0.00 12 G 8.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.45 4.15 0.00 1.80 1.38 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 14 T 8.35 4.78 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 15 C 7.45 4.67 0.00 3.09 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 16 N 8.81 4.30 0.00 2.83 2.84 0.00 0.00 6.90 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.96 4.51 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.28 4.34 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.81 3.68 2.12 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 0.77 0.00 0.00 1.09 0.00 0.00 20 W 8.03 4.14 0.00 3.43 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 3.96 4.59 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 1.34 0.00 0.00 22 I 7.67 3.67 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.82 0.89 0.00 0.00 23 E 7.84 3.97 0.00 1.92 1.74 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 2.17 2.24 0.00 24 Q 7.49 3.65 0.00 1.72 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.49 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 25 Q 8.09 4.04 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 26 I 8.25 3.83 1.91 0.00 0.00 0.82 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 0.93 0.88 0.00 0.00 27 G 7.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.46 4.29 0.00 1.65 1.84 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.34 7.81 29 V 7.86 3.91 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 0.97 0.00 0.00 0.97 0.00 0.00 30 N 8.73 4.48 0.00 2.72 2.84 0.00 0.00 7.20 7.98 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 31 G 7.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 4.10 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 0.83 0.00 0.00 1.03 0.00 0.00 33 H 9.29 4.70 0.00 3.12 3.50 0.00 5.98 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.95 4.81 0.00 3.21 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.99 4.78 1.83 0.00 0.00 0.81 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 1.30 0.81 0.00 0.00 36 K 9.17 4.77 0.00 1.89 1.71 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.41 7.81 37 V 8.35 4.72 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 0.71 0.00 0.00 0.97 0.00 0.00 38 S 9.08 4.69 0.00 3.81 3.76 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 39 L 8.40 3.98 0.00 1.91 1.91 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.08 4.24 0.00 2.09 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 2.25 2.26 0.00 41 E 8.16 4.42 0.00 2.02 1.95 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 2.21 2.22 0.00 42 K 7.98 4.44 0.00 1.92 1.80 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.37 7.81 43 N 7.40 5.33 0.00 2.61 2.85 0.00 0.00 6.60 7.71 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 44 A 9.02 5.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.95 5.10 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 1.25 0.00 0.00 46 I 8.86 5.11 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 1.00 0.00 0.00 47 I 8.94 5.22 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.90 0.00 0.00 48 Y 8.44 5.27 0.00 2.98 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 49 D 9.04 4.90 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.92 0.00 2.26 2.18 0.00 3.39 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 51 K 7.81 4.17 0.00 1.96 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.42 7.81 52 L 7.13 4.66 0.00 1.73 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.55 4.57 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.72 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 54 T 8.09 4.58 4.23 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 0.00 0.00 0.00 1.24 0.00 0.00 55 P 0.00 4.03 0.00 2.15 2.13 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 56 K 7.97 4.01 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.58 7.81 57 T 7.78 3.85 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 1.17 0.00 0.00 58 L 7.51 3.98 0.00 1.70 1.64 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.07 4.13 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 60 E 8.29 3.99 0.00 2.12 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 2.46 2.46 0.00 61 A 7.97 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.71 3.68 2.01 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 1.72 0.81 1.05 0.00 0.00 63 D 7.83 4.57 0.00 2.68 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.59 4.47 0.00 2.88 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 65 M 7.77 4.22 0.00 1.07 1.99 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 66 G 7.55 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 5.35 0.00 3.00 2.79 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 68 D 8.31 5.01 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.33 5.12 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.83 4.47 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 1.02 0.00 0.00 0.94 0.00 0.00 71 I 8.51 4.18 1.88 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 1.23 0.65 0.93 0.00 0.00 72 H 9.27 4.65 0.00 3.10 3.38 0.00 5.90 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.58 4.65 0.00 2.82 3.04 0.00 0.00 7.20 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00