NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4460 8.3049 120.3265 55.0940 33.4355 174.5505 2 K 4.2959 8.2852 119.8092 54.9352 33.5712 174.8666 3 I 4.5432 7.7762 122.3046 59.2180 40.5068 175.9187 4 S 4.1501 8.9130 120.3305 60.8964 63.0912 174.9906 5 G 3.7690 8.1267 109.4317 46.0734 0.0000 173.2971 6 R 3.9745 8.6121 124.5921 58.3343 30.7387 176.2915 7 N 4.7331 8.1023 116.2751 51.9897 39.7414 174.5423 8 K 4.9306 8.5879 123.7188 54.4310 34.8187 175.7629 9 L 4.5027 8.7727 125.5182 52.6172 44.5782 175.8489 10 E 4.7732 9.0713 124.4721 56.2647 30.0549 175.9673 11 A 5.0769 9.2344 126.1354 50.5713 23.7799 174.0423 12 T 5.0436 8.4498 114.4214 61.6675 72.0432 174.4653 13 V 4.0423 8.8685 126.9649 63.3002 32.0326 176.3362 14 K 4.3690 9.3256 127.5666 58.0012 33.7007 176.5116 15 E 4.7788 7.7552 118.1701 55.0081 33.2947 173.9872 16 I 5.0642 8.2798 125.0924 59.6015 40.6314 174.6486 17 V 4.3573 8.6709 127.3367 60.9971 33.7812 174.1855 18 K 4.6484 8.7949 127.4859 55.0683 33.5959 176.4057 19 G 4.2338 8.4982 116.2081 44.4470 0.0000 172.8708 20 T 4.0692 8.5262 114.8657 65.8386 69.0245 175.2974 21 V 4.2627 7.8860 119.0048 63.9941 34.4036 175.5865 22 M 5.1688 7.9742 118.0877 53.6941 35.2205 174.8364 23 A 5.0856 9.1167 121.3914 50.1875 23.2677 174.9461 24 K 4.6988 9.0064 123.1529 55.1802 34.1197 175.2728 25 I 4.7528 8.9622 129.4143 59.7860 39.2235 174.7066 26 V 4.5866 8.7937 128.9128 61.8880 32.9880 174.7991 27 M 5.3578 9.2313 126.8080 53.6009 36.8733 173.5354 28 D 5.2767 9.0783 120.4002 52.7961 44.0053 174.3002 29 Y 4.6733 9.1676 127.3573 55.3123 40.9018 175.4306 30 K 3.6551 9.3245 129.2429 57.1004 29.8116 176.4595 31 G 3.9512 8.4246 106.4318 45.3313 0.0000 173.9501 32 T 4.5013 7.9389 117.5648 61.8292 70.0470 173.2617 33 E 4.7889 8.6610 127.1169 55.8323 30.5901 175.4192 34 L 4.9174 9.0911 126.6147 53.0043 45.3315 175.6783 35 V 4.8570 8.2806 120.2537 61.3210 34.2706 174.2309 36 A 4.8658 9.1087 129.5860 49.9748 22.1142 174.7705 37 A 5.2125 8.6569 123.0904 50.3315 21.0094 175.3177 38 I 4.7792 8.3305 115.2593 59.4480 42.0166 175.1680 39 T 4.5774 8.2987 111.6241 61.0266 69.6907 175.7771 40 I 3.7815 8.5236 117.6363 64.1302 37.3399 178.1969 41 D 4.3788 7.5742 119.4883 57.5822 40.5347 178.9603 42 S 4.1185 7.9228 115.1490 61.3457 62.8011 176.7636 43 V 3.5504 7.7222 120.3831 65.9263 31.1543 177.8762 44 A 3.9544 8.1269 120.4310 55.1505 18.0549 179.1073 45 D 4.2669 8.0947 115.9768 57.3999 41.3427 177.3968 46 L 4.1218 8.0818 116.4896 54.8119 42.4162 175.9085 47 D 4.3884 7.4711 117.7956 55.0198 39.8793 173.8874 48 L 4.4078 7.8252 118.2818 55.0351 42.7995 177.8185 49 V 4.5628 8.8135 115.3032 58.6454 35.8602 173.0596 50 P 4.4262 0.0000 0.0000 64.6169 31.5427 176.6221 51 G 4.0643 9.0516 111.3879 45.2860 0.0000 173.8798 52 D 4.4980 7.9390 119.9919 54.6018 42.0415 175.8333 53 K 4.7876 8.5586 122.1917 55.8603 33.2290 176.3491 54 V 4.6157 8.9918 117.8226 60.1213 36.9575 174.1221 55 T 4.9881 8.3558 117.0652 61.8427 70.6695 174.2676 56 A 4.2864 9.1245 129.8925 51.4722 19.8763 175.7128 57 L 5.1795 8.4534 123.6921 53.1792 45.1597 175.7634 58 V 4.4352 8.6372 125.2223 60.7207 34.9612 174.7112 59 K 4.2444 8.7455 128.6534 55.9752 33.0374 177.1539 60 A 3.9779 8.7748 128.3765 55.6480 18.3538 179.5337 61 T 4.1069 7.8504 103.3238 63.4213 69.1008 174.7031 62 E 4.4188 8.1229 121.0678 56.1785 29.8992 174.8943 63 M 4.4398 7.6193 119.7501 53.7358 33.2892 175.5658 64 E 4.4553 8.5081 125.6622 55.3482 31.1785 175.6490 65 V 4.4592 7.9984 118.7742 61.0450 34.3204 174.5548 66 L 4.8518 8.2548 125.6754 53.0778 44.6599 176.3773 67 K 4.0709 8.3723 121.8491 57.0431 31.9720 175.2224 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 8.30 4.45 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.29 4.30 0.00 1.82 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.52 7.81 3 I 7.78 4.54 1.86 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 1.47 0.61 0.91 0.00 0.00 4 S 8.91 4.15 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.61 3.97 0.00 1.80 1.99 0.00 3.36 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 7 N 8.10 4.73 0.00 2.79 2.69 0.00 0.00 6.68 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 8 K 8.59 4.93 0.00 1.56 1.69 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.47 7.81 9 L 8.77 4.50 0.00 1.31 1.12 0.16 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.07 4.77 0.00 1.97 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 2.35 2.37 0.00 11 A 9.23 5.08 1.30 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 0.00 0.00 0.00 12 T 8.45 5.04 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 1.31 0.00 0.00 13 V 8.87 4.04 2.21 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 0.89 0.00 0.00 0.94 0.00 0.00 14 K 9.33 4.37 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.37 7.81 15 E 7.76 4.78 0.00 2.01 1.73 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 2.28 2.34 0.00 16 I 8.28 5.06 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 1.23 0.79 0.91 0.00 0.00 17 V 8.67 4.36 2.08 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 1.07 0.00 0.00 0.93 0.00 0.00 18 K 8.79 4.65 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 G 8.50 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 0.00 0.00 0.00 0.00 20 T 8.53 4.07 4.24 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 1.21 0.00 0.00 21 V 7.89 4.26 2.08 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 1.10 0.00 0.00 0.93 0.00 0.00 22 M 7.97 5.17 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 23 A 9.12 5.09 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.01 4.70 0.00 1.83 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 25 I 8.96 4.75 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 1.11 0.82 0.92 0.00 0.00 26 V 8.79 4.59 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 0.96 0.00 0.00 0.94 0.00 0.00 27 M 9.23 5.36 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 28 D 9.08 5.28 0.00 2.68 2.50 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 29 Y 9.17 4.67 0.00 3.04 2.84 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 30 K 9.32 3.66 0.00 1.13 1.50 0.00 1.33 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.98 0.32 7.81 31 G 8.42 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 0.00 0.00 0.00 32 T 7.94 4.50 4.51 0.00 0.00 0.00 0.00 0.00 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 33 E 8.66 4.79 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 34 L 9.09 4.92 0.00 1.60 1.52 0.91 0.52 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 35 V 8.28 4.86 2.08 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 0.80 0.00 0.00 0.94 0.00 0.00 36 A 9.11 4.87 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 A 8.66 5.21 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 38 I 8.33 4.78 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 1.28 0.88 0.91 0.00 0.00 39 T 8.30 4.58 4.40 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 1.21 0.00 0.00 40 I 8.52 3.78 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 1.71 0.79 0.98 0.00 0.00 41 D 7.57 4.38 0.00 2.70 2.77 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 0.00 0.00 0.00 0.00 42 S 7.92 4.12 0.00 4.05 3.90 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 43 V 7.72 3.55 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 0.98 0.00 0.00 44 A 8.13 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.09 4.27 0.00 2.71 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 L 8.08 4.12 0.00 1.81 1.70 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.47 4.39 0.00 2.70 2.66 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 48 L 7.83 4.41 0.00 1.70 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.81 4.56 2.08 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 0.72 0.00 0.00 1.01 0.00 0.00 50 P 0.00 4.43 0.00 2.04 2.16 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 G 9.05 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 0.00 0.00 0.00 52 D 7.94 4.50 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.79 0.00 1.64 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 54 V 8.99 4.62 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 0.77 0.00 0.00 1.00 0.00 0.00 55 T 8.36 4.99 4.24 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 1.20 0.00 0.00 56 A 9.12 4.29 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 57 L 8.45 5.18 0.00 1.58 1.50 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.64 4.44 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 0.86 0.00 0.00 0.89 0.00 0.00 59 K 8.75 4.24 0.00 1.82 1.65 0.00 1.78 0.00 0.00 1.99 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.77 3.98 1.30 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 0.00 0.00 0.00 61 T 7.85 4.11 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 1.20 0.00 0.00 62 E 8.12 4.42 0.00 2.11 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 2.25 2.25 0.00 63 M 7.62 4.44 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 64 E 8.51 4.46 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 65 V 8.00 4.46 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 66 L 8.25 4.85 0.00 1.63 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.37 4.07 0.00 1.67 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.43 7.81