NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4353 8.1633 120.6053 55.6210 34.3713 174.4571 2 Q 4.4117 8.2448 123.7010 53.1155 32.4504 172.4176 3 I 4.1209 9.1721 120.0352 59.0211 41.7637 173.3839 4 F 6.3000 8.4009 119.2535 55.1601 43.8540 174.1739 5 V 4.7826 8.3077 117.5488 61.7347 34.9899 173.4184 6 K 5.0679 8.8226 127.4274 55.1480 33.7618 175.9671 7 T 4.6676 8.3762 115.6155 59.3122 70.7108 176.0306 8 L 3.4579 8.6544 122.4777 58.2446 41.7146 178.3971 9 T 4.0671 7.8898 110.2472 62.0003 67.5152 173.8095 10 G 3.7858 8.7875 109.0518 47.5183 0.0000 173.6644 11 K 4.5905 8.4039 118.3228 54.7352 34.9391 176.3990 12 T 5.0021 8.4398 120.0190 62.1625 70.4442 173.6547 13 I 4.5627 8.4459 128.1959 59.6945 39.5847 175.6603 14 T 4.9024 8.7158 123.8470 63.4055 69.5314 174.1187 15 L 4.7591 9.4927 124.4910 52.4563 46.0642 176.4520 16 E 4.8286 8.2050 119.1563 54.3524 29.2994 176.1922 17 V 4.2861 7.0485 111.7271 59.5721 34.3555 176.7104 18 E 4.2707 8.3089 122.7844 55.2879 30.3813 175.8750 19 P 4.5174 0.0000 0.0000 64.2205 31.7057 177.6285 20 S 4.5744 7.6545 113.8128 59.0390 63.8237 174.5612 21 D 4.6164 7.5366 119.8308 54.2041 41.3674 174.6779 22 T 4.9719 8.8120 115.7702 61.7461 73.5150 175.1375 23 I 3.7991 8.1897 122.2302 64.5691 37.1973 178.5702 24 E 4.2671 8.2149 117.8809 59.2896 29.1015 178.5984 25 N 4.4648 7.9128 116.2159 55.4169 39.1062 177.2079 26 V 3.7303 7.4002 120.0458 65.7766 31.7525 178.0733 27 K 3.8817 8.4908 118.3782 59.6558 31.5491 178.8444 28 A 4.1236 7.8137 120.3077 55.5638 18.1021 179.9018 29 K 3.9918 8.0844 116.7026 59.5469 32.2551 179.6756 30 I 3.9631 8.2322 120.4159 64.1935 36.8956 178.0855 31 Q 4.7720 7.6183 120.3717 58.5706 28.3206 178.2395 32 D 4.2485 7.9798 118.0548 58.3346 41.6766 177.9270 33 K 3.8121 8.2384 115.8724 60.4000 32.0726 178.3167 34 E 4.1899 8.2628 120.1047 59.8938 30.3541 179.1722 35 G 4.3257 8.2270 107.1730 46.4529 0.0000 173.5635 36 I 4.5918 7.7291 118.7030 58.1420 40.8851 174.1301 37 P 5.3470 0.0000 0.0000 61.3411 32.0245 175.1253 38 P 4.5547 0.0000 0.0000 63.8202 31.3530 176.5959 39 D 4.5625 7.8687 118.1547 56.4316 41.4558 176.1730 40 Q 4.7227 7.9574 115.8992 56.0634 30.8118 174.6425 41 Q 4.7060 8.0164 116.7532 54.3955 32.4444 175.8886 42 R 4.3206 8.1843 121.9915 55.7465 32.2902 173.4166 43 L 4.7617 8.4829 127.2583 54.5927 42.7344 176.8297 44 I 4.6985 8.7074 123.1148 59.5595 41.9414 173.8608 45 F 5.1933 8.5117 127.7402 56.7925 42.3177 174.9027 46 A 3.4183 8.6756 126.9566 54.4535 16.0450 176.5587 47 G 3.9735 7.6241 102.3048 47.0845 0.0000 173.6649 48 K 4.5098 8.1176 117.0044 53.7282 35.6342 176.5082 49 Q 4.0085 8.7507 122.6703 56.3069 28.9253 176.3607 50 L 4.3623 8.1969 122.8902 53.6794 43.3097 175.8084 51 E 4.8749 9.5453 119.8191 54.6150 32.8681 176.8117 52 D 4.6718 8.8744 120.1734 54.5503 39.9025 176.9953 53 G 3.8923 7.8259 107.8733 46.3801 0.0000 174.3327 54 R 4.1716 7.2540 118.4561 55.8578 32.0341 175.7153 55 T 4.6747 7.2651 107.2375 59.9394 72.9403 174.5918 56 L 3.9942 7.9073 122.0608 58.1512 41.5401 179.8764 57 S 4.1253 7.8846 110.9485 60.7028 62.5775 175.1431 58 D 4.5559 7.7315 120.8808 56.8691 40.9570 177.1664 59 Y 4.6013 7.8410 114.3305 58.1996 38.0854 176.1228 60 N 4.6267 7.7796 116.0027 53.1218 37.0721 174.6514 61 I 3.7616 7.9542 120.2894 61.6184 37.9007 175.6781 62 Q 4.5531 8.7671 123.4001 54.8244 30.4366 174.5066 63 K 4.0737 8.5023 115.8109 58.1698 33.6496 177.0262 64 E 4.1374 9.1366 120.1485 57.2076 27.7549 174.7634 65 S 4.7119 7.4366 116.4651 58.3516 63.2928 173.7007 66 T 4.7810 8.8482 122.2153 63.6345 69.5576 174.7874 67 L 5.1210 8.8599 126.0489 53.6853 45.5636 174.5623 68 H 5.0694 9.4899 116.7131 54.6086 32.3401 173.2975 69 L 4.5922 9.7518 128.8154 54.3469 42.6834 175.6706 70 V 4.5221 8.0735 121.3380 59.6434 34.8026 174.5185 71 L 4.5688 8.2122 123.5278 54.7964 43.9827 175.6059 72 R 4.8976 8.1868 117.2084 53.9385 34.4442 175.0410 73 L 3.9149 8.5134 121.0711 56.4759 40.6674 177.2066 74 R 3.7364 9.1556 120.9327 55.3612 30.2993 176.0020 75 G 4.3047 8.7869 106.9236 46.4572 0.0000 174.1354 76 G 3.7121 7.6589 110.2894 45.9017 0.0000 170.9015 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 4.44 0.00 2.31 1.95 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 2 Q 8.24 4.41 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 3 I 9.17 4.12 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.90 0.79 0.00 0.00 4 F 8.40 6.30 0.00 3.00 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 5 V 8.31 4.78 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 1.09 0.00 0.00 0.96 0.00 0.00 6 K 8.82 5.07 0.00 1.80 1.58 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.29 7.81 7 T 8.38 4.67 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 1.22 0.00 0.00 8 L 8.65 3.46 0.00 1.66 1.79 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.89 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 10 G 8.79 3.79 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 0.00 0.00 0.00 11 K 8.40 4.59 0.00 1.66 1.72 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 12 T 8.44 5.00 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 1.04 0.00 0.00 13 I 8.45 4.56 1.92 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 1.25 0.95 0.94 0.00 0.00 14 T 8.72 4.90 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 1.10 0.00 0.00 15 L 9.49 4.76 0.00 1.25 1.43 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.20 4.83 0.00 1.88 1.84 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 2.26 2.20 0.00 17 V 7.05 4.29 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 0.64 0.00 0.00 0.84 0.00 0.00 18 E 8.31 4.27 0.00 1.97 1.83 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 2.37 2.21 0.00 19 P 0.00 4.52 0.00 2.19 2.26 0.00 3.64 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 2.05 1.96 0.00 20 S 7.65 4.57 0.00 3.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.62 0.00 3.00 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 22 T 8.81 4.97 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 1.35 0.00 0.00 23 I 8.19 3.80 2.19 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 1.95 1.02 0.94 0.00 0.00 24 E 8.21 4.27 0.00 2.20 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 0.00 2.55 2.41 0.00 25 N 7.91 4.46 0.00 2.89 2.93 0.00 0.00 6.87 7.68 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 26 V 7.40 3.73 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 1.08 0.00 0.00 0.97 0.00 0.00 27 K 8.49 3.88 0.00 1.79 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 28 A 7.81 4.12 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 8.08 3.99 0.00 2.06 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 30 I 8.23 3.96 1.96 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 1.74 1.43 0.96 0.00 0.00 31 Q 7.62 4.77 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 32 D 7.98 4.25 0.00 2.67 2.69 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 33 K 8.24 3.81 0.00 1.81 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.63 7.81 34 E 8.26 4.19 0.00 2.12 2.00 0.00 0.00 0.00 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 35 G 8.23 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 0.00 0.00 0.00 0.00 36 I 7.73 4.59 1.88 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 1.47 0.82 0.92 0.00 0.00 37 P 0.00 5.35 0.00 2.22 2.18 0.00 3.86 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 2.07 1.91 0.00 38 P 0.00 4.55 0.00 2.21 2.21 0.00 3.76 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 1.99 1.95 0.00 39 D 7.87 4.56 0.00 2.64 2.73 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 40 Q 7.96 4.72 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.39 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 41 Q 8.02 4.71 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 42 R 8.18 4.32 0.00 1.86 1.78 0.00 3.18 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 43 L 8.48 4.76 0.00 1.58 1.58 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.71 4.70 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 0.92 0.00 0.00 45 F 8.51 5.19 0.00 2.79 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 46 A 8.68 3.42 0.79 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 0.00 0.00 47 G 7.62 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.12 4.51 0.00 1.91 1.59 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.33 7.81 49 Q 8.75 4.01 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 50 L 8.20 4.36 0.00 1.74 1.58 -0.10 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.55 4.87 0.00 2.04 1.85 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 2.28 2.34 0.00 52 D 8.87 4.67 0.00 2.78 2.81 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 0.00 0.00 0.00 53 G 7.83 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.25 4.17 0.00 1.77 1.04 0.00 2.21 0.00 0.00 2.53 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.00 55 T 7.27 4.67 4.17 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 1.24 0.00 0.00 56 L 7.91 3.99 0.00 1.86 1.66 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.88 4.13 0.00 4.03 3.85 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 58 D 7.73 4.56 0.00 2.71 2.42 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 0.00 59 Y 7.84 4.60 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 60 N 7.78 4.63 0.00 3.25 3.14 0.00 0.00 7.11 7.45 0.00 0.00 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 7.95 3.76 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.03 0.59 0.00 0.00 62 Q 8.77 4.55 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 63 K 8.50 4.07 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.42 7.81 64 E 9.14 4.14 0.00 2.26 2.42 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 2.39 2.33 0.00 65 S 7.44 4.71 0.00 3.52 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.78 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 1.29 0.00 0.00 67 L 8.86 5.12 0.00 1.69 1.80 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.49 5.07 0.00 3.12 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.75 4.59 0.00 1.64 1.75 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.07 4.52 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 0.81 0.00 0.00 0.98 0.00 0.00 71 L 8.21 4.57 0.00 1.66 1.60 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.19 4.90 0.00 1.67 1.76 0.00 3.36 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 73 L 8.51 3.91 0.00 1.75 1.72 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.16 3.74 0.00 1.96 1.99 0.00 3.21 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 75 G 8.79 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 0.00 0.00 0.00 0.00 76 G 7.66 3.71 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 0.00 0.00 0.00