NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 T 4.2610 8.2745 117.3743 63.9920 69.4565 174.4914 47 E 4.2259 8.9148 123.0040 57.0876 29.8776 172.5899 48 Q 4.7686 7.9873 120.5999 58.4114 30.5713 181.8435 49 Q 4.3425 8.1391 120.2465 60.9170 28.3089 182.8177 50 A 4.2948 8.0763 120.6380 55.3392 18.4727 179.1715 51 T 3.8149 7.9524 111.8953 66.7752 68.7419 176.2002 52 A 4.1731 8.0087 124.7501 55.9252 18.3108 180.4388 53 Q 4.0056 8.4119 119.3111 60.3531 28.3126 180.1345 54 K 4.2486 8.3735 123.0343 60.4166 32.0047 179.8651 55 I 3.7971 8.3000 120.1696 65.1390 35.2451 179.8650 56 Y 3.9530 8.0787 117.5088 60.9811 37.8926 177.5046 57 D 4.6854 9.0572 120.5064 57.8121 40.9442 178.6616 58 D 4.3748 8.1585 119.0363 57.5563 40.6228 178.0452 59 Y 4.0773 7.3769 118.7046 61.1012 38.9160 177.6744 60 Y 4.1959 8.0317 117.4681 61.5397 38.0871 178.9100 61 T 3.9461 8.5474 116.6646 66.7545 68.3031 176.1463 62 Q 4.2606 7.9171 116.5922 56.5594 28.8004 176.9221 63 T 4.5093 8.0245 116.8517 62.6038 72.1696 176.1545 64 S 4.0788 8.1965 117.2394 61.8343 62.6167 176.5373 65 A 3.9887 7.9979 124.3799 54.4621 18.1089 179.2367 66 L 3.8927 7.8234 116.7434 57.9752 41.7450 179.4280 67 R 3.9199 8.1999 118.0303 59.6240 30.0701 178.8729 68 Q 3.9358 8.1467 118.8808 59.3621 29.0896 178.1827 69 Q 3.9592 8.2595 120.3478 58.7550 28.9151 177.8515 70 L 3.9915 7.9342 121.7585 57.7793 42.0438 178.7795 71 I 3.4977 7.9458 120.0925 64.2826 37.0168 178.2802 72 S 4.2530 8.2706 113.9651 61.5621 62.2711 176.3611 73 K 4.0629 8.2003 121.1538 59.3215 31.6263 179.3427 74 R 3.8896 8.2523 119.3229 59.6074 29.9607 178.0802 75 Y 4.3811 8.0918 116.8618 61.3693 37.8337 178.4182 76 E 4.0003 8.8214 120.5030 59.2918 29.6386 178.3025 77 Y 4.1539 8.4918 120.1335 60.9027 38.9186 177.7585 78 N 4.2368 8.7030 117.5085 56.1736 38.3934 177.1290 79 A 4.0108 8.0826 121.5110 55.3093 18.5666 179.3898 80 L 4.0959 7.7735 117.0742 57.7796 41.5453 179.6237 81 L 3.9612 7.6035 118.3377 57.0928 41.5612 178.5078 82 T 4.3205 7.6297 107.2238 60.6819 69.3414 174.8125 83 A 4.2237 6.8434 125.1016 52.0146 19.1240 178.1509 84 S 4.2367 8.6332 114.6811 60.6122 63.2009 175.1344 85 S 4.5275 7.6844 114.8047 55.0965 64.8955 171.7876 86 P 4.2315 0.0000 0.0000 62.6385 31.8042 176.6191 87 D 4.6456 8.3138 120.9918 53.0154 40.7822 176.6618 88 T 3.8828 8.3231 123.5068 66.3417 68.5450 175.4673 89 A 3.9814 8.0895 122.4842 54.9653 18.4677 179.4557 90 K 3.8446 8.3053 115.6543 59.8576 32.1985 179.4652 91 I 3.8068 7.9731 119.7702 64.4828 37.0037 178.3022 92 N 4.4009 8.3485 117.1593 56.1663 38.3928 177.2342 93 A 4.0029 8.1500 122.2444 55.3382 18.4881 179.9221 94 V 3.5758 7.9467 116.4552 66.0252 31.5235 178.0597 95 A 3.9477 8.1995 120.6236 55.0157 18.1349 179.8374 96 K 3.9108 8.1794 117.0893 59.5722 31.9985 179.3330 97 E 3.9551 8.2741 118.8643 59.8438 29.4120 179.4211 98 M 4.0200 8.5578 118.9383 58.1802 31.9447 178.4325 99 E 3.9007 8.3642 120.1441 59.2216 29.8255 179.1209 100 S 4.1121 8.0480 114.3411 61.2962 63.1210 176.2008 101 L 4.0243 7.7080 123.0348 57.5985 41.3574 179.8002 102 G 3.6950 8.2834 107.8320 48.5873 0.0000 176.3295 103 Q 4.0432 8.0585 123.0316 59.8180 28.0281 180.8697 104 K 4.3245 8.5326 120.6608 59.2657 32.1229 179.2428 105 L 3.9660 8.2874 121.0157 58.3979 41.9954 178.8020 106 D 4.3944 8.4684 119.1456 57.0979 40.6801 178.3298 107 E 3.8991 7.9812 119.8794 59.4905 29.6538 178.9604 108 Q 4.0370 7.9253 117.6328 59.0399 28.7030 178.7844 109 R 3.5427 8.1319 119.7185 59.1088 29.9322 178.8913 110 V 3.4665 8.0206 118.2771 65.8966 31.6014 177.8424 111 K 3.6758 7.9654 118.2944 59.8257 31.9075 179.1122 112 R 3.7016 7.8577 118.4353 59.3448 30.0055 178.2048 113 D 4.2281 8.0165 118.9943 57.3134 40.8025 178.9138 114 V 3.5341 8.5387 119.5331 65.7931 31.4671 177.7423 115 A 3.9359 7.8559 120.4058 55.5728 18.1495 179.1615 116 M 3.9218 7.9449 116.7177 58.8211 32.2020 178.9485 117 A 3.9992 8.0533 120.4113 55.3757 18.3529 179.5562 118 Q 4.0883 8.0223 114.6171 58.0175 28.9678 177.5974 119 A 4.3086 7.9097 120.2438 51.8251 18.7167 178.0980 120 G 3.8374 7.6244 104.9847 45.6837 0.0000 173.8506 121 I 4.0744 7.3539 120.9712 59.5840 37.7860 174.3715 122 P 4.4247 0.0000 0.0000 62.8834 31.1030 176.1940 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 46 T 8.27 4.26 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 47 E 8.91 4.23 0.00 2.06 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 2.19 1.94 0.00 48 Q 7.99 4.77 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.88 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 49 Q 8.14 4.34 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.00 0.00 50 A 8.08 4.29 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 51 T 7.95 3.81 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 1.23 0.00 0.00 52 A 8.01 4.17 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 53 Q 8.41 4.01 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 54 K 8.37 4.25 0.00 1.98 1.95 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.72 7.81 55 I 8.30 3.80 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 0.73 0.91 0.00 0.00 56 Y 8.08 3.95 0.00 3.20 3.19 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 57 D 9.06 4.69 0.00 2.88 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 58 D 8.16 4.37 0.00 2.72 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 59 Y 7.38 4.08 0.00 2.49 2.80 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 60 Y 8.03 4.20 0.00 3.27 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 61 T 8.55 3.95 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 1.22 0.00 0.00 62 Q 7.92 4.26 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 63 T 8.02 4.51 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 64 S 8.20 4.08 0.00 4.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 3.99 1.33 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 66 L 7.82 3.89 0.00 1.87 1.70 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.20 3.92 0.00 1.93 2.01 0.00 3.24 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 68 Q 8.15 3.94 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 69 Q 8.26 3.96 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 70 L 7.93 3.99 0.00 1.86 1.77 0.87 0.70 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 71 I 7.95 3.50 2.04 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 1.30 0.59 0.84 0.00 0.00 72 S 8.27 4.25 0.00 3.95 4.01 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 0.00 0.00 0.00 73 K 8.20 4.06 0.00 1.80 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.60 7.81 74 R 8.25 3.89 0.00 1.90 1.79 0.00 2.97 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 75 Y 8.09 4.38 0.00 3.23 2.86 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 0.00 0.00 0.00 76 E 8.82 4.00 0.00 2.08 2.18 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 2.37 2.37 0.00 77 Y 8.49 4.15 0.00 3.06 3.12 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 78 N 8.70 4.24 0.00 2.91 2.89 0.00 0.00 6.96 7.83 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 79 A 8.08 4.01 1.40 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 80 L 7.77 4.10 0.00 1.78 1.67 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.60 3.96 0.00 1.42 1.57 0.19 0.70 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 82 T 7.63 4.32 4.22 0.00 0.00 0.00 0.00 0.00 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 83 A 6.84 4.22 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.63 4.24 0.00 3.98 4.01 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 0.00 0.00 0.00 85 S 7.68 4.53 0.00 3.92 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 86 P 0.00 4.23 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 87 D 8.31 4.65 0.00 2.80 2.60 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 0.00 0.00 0.00 0.00 88 T 8.32 3.88 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 1.28 0.00 0.00 89 A 8.09 3.98 1.32 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 0.00 0.00 0.00 90 K 8.31 3.84 0.00 1.97 1.92 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.67 7.81 91 I 7.97 3.81 2.05 0.00 0.00 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 1.47 0.87 1.02 0.00 0.00 92 N 8.35 4.40 0.00 2.98 2.89 0.00 0.00 6.92 6.98 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 93 A 8.15 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.95 3.58 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 0.94 0.00 0.00 1.06 0.00 0.00 95 A 8.20 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.18 3.91 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 97 E 8.27 3.96 0.00 2.18 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 2.33 2.36 0.00 98 M 8.56 4.02 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 99 E 8.36 3.90 0.00 2.11 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 0.00 2.28 2.29 0.00 100 S 8.05 4.11 0.00 4.10 4.09 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 0.00 0.00 0.00 0.00 101 L 7.71 4.02 0.00 1.79 1.75 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.28 3.69 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 0.00 0.00 0.00 103 Q 8.06 4.04 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 104 K 8.53 4.32 0.00 1.86 1.87 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.64 7.81 105 L 8.29 3.97 0.00 1.87 1.80 0.95 1.26 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 0.00 106 D 8.47 4.39 0.00 2.70 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 0.00 107 E 7.98 3.90 0.00 2.23 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 0.00 2.30 2.35 0.00 108 Q 7.93 4.04 0.00 2.39 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 109 R 8.13 3.54 0.00 1.97 2.07 0.00 3.20 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 110 V 8.02 3.47 2.17 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 0.94 0.00 0.00 0.94 0.00 0.00 111 K 7.97 3.68 0.00 2.05 1.85 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.36 7.81 112 R 7.86 3.70 0.00 1.60 1.56 0.00 2.65 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.00 0.00 113 D 8.02 4.23 0.00 2.77 2.63 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 0.00 114 V 8.54 3.53 2.22 0.00 0.00 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 0.93 0.00 0.00 115 A 7.86 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 7.94 3.92 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 117 A 8.05 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.02 4.09 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 119 A 7.91 4.31 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.62 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 0.00 0.00 0.00 121 I 7.35 4.07 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 1.31 0.75 0.93 0.00 0.00 122 P 0.00 4.42 0.00 2.04 1.97 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00