NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4298 8.1633 120.6053 55.5042 34.1011 173.7661 2 Q 4.9916 8.4142 124.4076 52.3992 31.4815 173.0121 3 I 4.6711 8.9612 117.1256 59.0610 41.8881 173.7275 4 F 5.2784 8.9691 122.6281 56.2274 41.3495 175.1708 5 V 4.6321 9.0936 123.8779 60.9713 33.3108 174.1107 6 K 4.7524 9.5085 131.9831 56.2058 33.2724 177.2470 7 T 4.3099 8.2994 118.7763 60.6912 69.7390 173.8668 8 L 4.0933 8.4648 122.0606 58.8800 42.3075 179.8583 9 T 4.0284 7.7188 107.2707 63.4920 68.9526 173.5036 10 G 3.3762 6.7672 110.5640 44.8881 0.0000 172.9493 11 K 4.3452 8.0926 122.7969 55.5640 33.6076 175.4780 12 T 4.8745 8.5175 123.7612 61.9130 70.6918 173.5576 13 I 4.5196 8.6339 127.3643 59.8222 39.9395 174.6800 14 T 4.9407 8.6413 123.7450 62.2127 69.7135 174.1002 15 L 4.6827 8.6516 126.7465 52.9772 45.0134 175.4109 16 E 4.6607 8.6200 121.9748 54.9211 30.7490 175.2903 17 V 4.5487 8.5802 120.3937 59.3569 35.2910 175.2818 18 E 4.3658 9.3766 123.8218 54.6241 30.6570 175.4743 19 P 4.4514 0.0000 0.0000 64.4228 31.7484 177.3536 20 S 4.4776 7.8287 114.3994 58.7376 63.3544 173.6167 21 D 4.6570 7.9340 122.2313 53.6561 41.8467 176.3954 22 T 4.7798 8.1054 112.4838 60.8783 70.3225 175.6885 23 I 3.6695 8.4477 123.6730 64.4849 36.9745 178.0883 24 E 3.9066 8.3334 119.6724 59.8344 29.2819 178.7125 25 N 4.4765 8.0053 115.0752 55.6351 38.4176 177.6582 26 V 3.6347 7.5719 119.8572 65.6755 31.6744 178.0110 27 K 4.2412 8.1722 119.2190 58.7772 31.9132 178.9243 28 A 3.9793 7.9729 121.1205 55.4563 18.2440 179.8913 29 K 3.9527 7.9217 116.2331 59.5470 31.9648 179.5272 30 I 3.8659 7.5182 120.0059 63.8069 36.6734 177.8798 31 Q 4.0549 8.2350 122.1603 58.4928 28.5418 178.1349 32 D 4.3114 7.8105 117.9831 57.4386 41.4183 177.8542 33 K 4.0570 7.9546 118.8032 58.9039 32.3911 177.2052 34 E 4.2719 8.7877 118.3721 56.8685 30.7135 177.5083 35 G 4.1989 8.3254 104.7169 45.9656 0.0000 173.0977 36 I 3.9487 7.6661 121.7790 59.7638 37.8723 174.1058 37 P 4.6950 0.0000 0.0000 61.6806 31.7714 175.4582 38 P 4.5199 0.0000 0.0000 64.2259 31.8201 178.2126 39 D 4.4158 8.1699 117.9082 57.3666 41.3977 177.3236 40 Q 4.0651 7.8026 116.4900 58.4092 29.0828 175.3268 41 Q 4.2558 7.7276 116.0571 56.3528 29.5502 175.7002 42 R 4.6483 9.3923 124.5579 54.4978 32.7510 175.6623 43 L 5.2679 8.3901 122.0861 53.0566 45.0491 175.3603 44 I 4.7788 8.5599 122.6387 59.9632 40.5692 174.8632 45 F 4.6814 9.2648 126.1682 59.3971 40.4714 174.5695 46 A 4.4517 7.4326 118.5361 51.7330 22.0942 176.4190 47 G 3.9389 7.9927 102.8933 46.0021 0.0000 173.3153 48 K 4.3915 7.8082 117.6302 54.8298 33.5069 175.7788 49 Q 4.4443 8.3943 123.3021 55.5648 29.6481 175.2611 50 L 4.3178 8.2655 127.7772 54.4426 42.2186 176.8124 51 E 4.4244 8.6764 121.6405 55.6791 31.0190 176.7239 52 D 4.5745 8.8843 121.1590 57.7872 41.1489 179.6624 53 G 3.9616 7.8500 106.6614 45.5306 0.0000 173.3403 54 R 4.6896 8.0228 117.2475 53.4575 34.2953 175.3072 55 T 4.8806 8.1207 110.8978 60.5006 71.8189 175.7265 56 L 4.0023 8.1768 122.7519 58.3699 41.8180 180.1409 57 S 4.1137 8.0762 113.7761 61.5242 62.4691 175.7377 58 D 4.2472 7.6250 120.4598 57.6359 41.0663 178.0238 59 Y 4.0796 7.4512 114.8881 58.5106 38.7064 175.1678 60 N 4.2185 7.7606 116.2929 54.3265 37.2472 174.3342 61 I 4.0052 7.7724 118.7687 60.3594 38.4551 176.8789 62 Q 4.4451 7.9106 125.8160 54.4207 30.9222 175.0066 63 K 3.9848 8.4354 119.5987 58.0599 33.1519 177.1981 64 E 3.4849 8.5791 124.6707 57.7086 27.4724 174.4865 65 S 5.0264 7.5333 113.5447 57.4453 66.3771 174.9523 66 T 5.0555 8.6842 119.4266 62.4243 69.5296 174.1284 67 L 4.9071 8.9940 127.2177 53.5564 44.6838 175.1963 68 H 5.2022 9.0281 119.7242 54.3558 30.8391 173.7150 69 L 4.7760 8.8261 126.1972 53.4383 43.5016 175.4536 70 V 4.2754 8.5137 127.1290 61.4015 33.5316 174.5931 71 L 4.7637 8.4257 128.1203 53.4983 42.2308 176.4323 72 R 3.7347 9.2154 126.9018 56.6327 30.0288 175.2871 73 L 4.4209 8.8561 126.3883 55.3239 43.3797 176.6001 74 R 4.3904 8.8307 115.7749 56.1235 32.5958 176.2397 75 G 4.6240 7.5799 116.5101 45.7423 0.0000 172.3683 76 G 3.7518 8.1872 113.9007 46.4210 0.0000 172.7775 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 8.16 4.43 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 2 Q 8.41 4.99 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 3 I 8.96 4.67 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.76 0.83 0.00 0.00 4 F 8.97 5.28 0.00 3.07 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 5 V 9.09 4.63 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 9.51 4.75 0.00 1.87 1.72 0.00 1.55 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.45 7.81 7 T 8.30 4.31 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 1.26 0.00 0.00 8 L 8.46 4.09 0.00 1.75 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.72 4.03 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 10 G 6.77 3.38 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 0.00 11 K 8.09 4.35 0.00 1.87 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 T 8.52 4.87 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 1.08 0.00 0.00 13 I 8.63 4.52 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.93 0.00 0.00 14 T 8.64 4.94 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 1.07 0.00 0.00 15 L 8.65 4.68 0.00 1.53 1.51 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.62 4.66 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 17 V 8.58 4.55 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 0.66 0.00 0.00 0.90 0.00 0.00 18 E 9.38 4.37 0.00 2.01 2.02 0.00 0.00 0.00 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 19 P 0.00 4.45 0.00 2.24 2.25 0.00 3.71 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 2.05 1.96 0.00 20 S 7.83 4.48 0.00 3.87 3.92 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 21 D 7.93 4.66 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 4.78 4.52 0.00 0.00 0.00 0.00 0.00 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 23 I 8.45 3.67 2.09 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 1.72 1.59 0.86 0.00 0.00 24 E 8.33 3.91 0.00 2.03 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 2.39 2.43 0.00 25 N 8.01 4.48 0.00 2.99 2.84 0.00 0.00 6.85 7.05 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 26 V 7.57 3.63 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 1.12 0.00 0.00 0.97 0.00 0.00 27 K 8.17 4.24 0.00 1.93 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.51 7.81 28 A 7.97 3.98 1.41 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 0.00 0.00 29 K 7.92 3.95 0.00 1.95 1.86 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 30 I 7.52 3.87 2.14 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 1.41 1.06 0.91 0.00 0.00 31 Q 8.24 4.05 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 32 D 7.81 4.31 0.00 2.91 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 33 K 7.95 4.06 0.00 1.93 1.79 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 34 E 8.79 4.27 0.00 2.09 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 2.27 2.38 0.00 35 G 8.33 4.20 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 0.00 36 I 7.67 3.95 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 1.47 1.37 0.91 0.00 0.00 37 P 0.00 4.69 0.00 2.21 2.18 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 38 P 0.00 4.52 0.00 2.20 2.12 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 39 D 8.17 4.42 0.00 2.61 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 40 Q 7.80 4.07 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.46 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 41 Q 7.73 4.26 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 42 R 9.39 4.65 0.00 1.87 1.82 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 43 L 8.39 5.27 0.00 1.50 1.48 0.87 0.78 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 44 I 8.56 4.78 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.11 0.93 0.00 0.00 45 F 9.26 4.68 0.00 2.76 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 46 A 7.43 4.45 0.99 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 0.00 0.00 47 G 7.99 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 48 K 7.81 4.39 0.00 1.87 1.82 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 49 Q 8.39 4.44 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 50 L 8.27 4.32 0.00 1.43 1.09 0.64 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.68 4.42 0.00 2.04 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 2.47 2.41 0.00 52 D 8.88 4.57 0.00 2.75 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 53 G 7.85 3.96 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 0.00 0.00 0.00 54 R 8.02 4.69 0.00 2.02 1.72 0.00 3.02 0.00 0.00 2.98 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 55 T 8.12 4.88 4.42 0.00 0.00 0.00 0.00 0.00 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 56 L 8.18 4.00 0.00 1.90 1.72 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.08 4.11 0.00 4.05 4.20 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 58 D 7.63 4.25 0.00 2.54 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.45 4.08 0.00 3.11 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 60 N 7.76 4.22 0.00 2.92 3.02 0.00 0.00 7.21 7.85 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 61 I 7.77 4.01 1.61 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.35 0.48 0.00 0.00 62 Q 7.91 4.45 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 63 K 8.44 3.98 0.00 1.69 1.70 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.41 7.81 64 E 8.58 3.48 0.00 2.13 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 0.00 1.98 2.13 0.00 65 S 7.53 5.03 0.00 3.75 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 66 T 8.68 5.06 4.31 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 1.17 0.00 0.00 67 L 8.99 4.91 0.00 1.74 1.56 0.76 0.69 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 68 H 9.03 5.20 0.00 3.15 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.83 4.78 0.00 1.60 1.70 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.51 4.28 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 0.86 0.00 0.00 0.94 0.00 0.00 71 L 8.43 4.76 0.00 1.57 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.22 3.73 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.86 4.42 0.00 1.66 1.60 0.92 0.90 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 74 R 8.83 4.39 0.00 1.76 1.93 0.00 3.53 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 75 G 7.58 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.19 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00