NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 R 4.2964 8.2549 117.2842 56.1154 30.2276 174.7409 21 L 4.1344 8.2248 118.2958 54.0539 42.7551 173.4175 22 G 4.2208 8.4308 106.1700 42.9386 0.0000 173.2658 23 V 4.0095 8.0507 119.9653 62.7372 31.9248 175.7079 24 K 4.5687 8.7870 124.2249 56.1853 33.7998 176.4587 25 R 4.8151 7.7618 116.5102 54.2628 33.9475 173.9276 26 Y 4.8354 7.8958 118.1059 54.6750 40.1077 174.8140 27 E 4.1776 8.9998 121.3988 58.4914 29.8055 177.5303 28 G 4.0166 9.5105 113.9936 45.5981 0.0000 173.1881 29 Q 3.9933 8.0786 122.2517 55.7003 30.1836 175.1131 30 V 4.3598 8.1991 125.9590 62.6272 32.4839 175.2298 31 V 4.6275 9.3896 120.9698 59.7485 36.4775 174.3521 32 R 5.1529 8.2221 118.9193 53.8054 34.0523 175.6137 33 A 4.3882 9.4122 124.8530 54.1313 18.6988 177.4558 34 G 4.1117 9.8109 112.4177 45.3193 0.0000 174.0426 35 N 4.4127 8.0928 116.9076 53.8996 39.6633 174.7113 36 I 4.3532 8.3712 123.5367 61.6330 37.7218 175.2521 37 L 4.5474 9.5720 126.6038 55.9900 44.1365 176.8052 38 V 4.8174 7.5346 116.8210 61.4170 35.5009 173.4764 39 R 5.0347 8.9185 126.5382 54.5698 32.1391 174.9518 40 Q 4.8590 8.6015 121.0294 54.5496 31.5744 175.5313 41 R 4.1417 8.7242 118.9844 58.1868 31.2961 177.0433 42 G 2.7550 7.1271 108.4173 44.8176 0.0000 173.5961 43 T 4.4742 8.0581 114.2305 62.5491 68.0589 175.0109 44 R 3.8328 7.9461 123.8208 58.8480 30.7386 175.9440 45 F 5.0419 8.7555 114.0494 55.4704 42.6157 174.8430 46 K 4.6885 8.4388 120.2024 53.6687 35.0189 173.9426 47 P 4.5357 0.0000 0.0000 63.0013 32.0545 176.1396 48 G 4.4977 8.7184 114.8914 43.8797 0.0000 172.0133 49 K 3.9620 8.8925 118.9245 58.4265 32.5490 176.5887 50 N 4.3573 8.9940 119.2125 54.0830 36.1146 173.1932 51 V 4.4783 7.7679 117.5433 61.1267 34.0316 175.3447 52 G 3.5179 7.8775 115.0089 44.7309 0.0000 171.9471 53 M 5.0492 8.0417 118.7877 53.5401 34.9336 175.1979 54 G 4.0374 9.5537 116.4575 44.9669 0.0000 174.0117 55 R 3.7627 8.4314 117.8240 59.0075 30.0155 177.5728 56 D 4.7778 8.0157 115.2877 53.2444 39.3499 176.9217 57 F 3.7619 7.7822 115.7917 58.5993 37.5703 175.3876 58 T 4.3674 8.0368 118.9318 63.7578 69.4305 173.2697 59 L 5.1815 9.0029 126.7766 53.4450 43.7493 175.7174 60 F 5.4533 8.2126 117.2225 54.8302 42.2102 173.4818 61 A 4.5241 8.9830 122.6878 52.0466 18.6121 178.6311 62 L 3.6954 9.1380 123.7857 56.6579 42.6059 177.0256 63 V 4.5197 7.4683 109.7703 59.4615 35.8348 173.8107 64 D 4.8305 8.3397 120.1102 53.2764 42.0045 176.8874 65 G 4.0543 8.0422 111.0233 46.0240 0.0000 170.9466 66 V 4.7414 7.7415 119.8599 61.1264 33.8017 176.8920 67 V 4.1952 8.8908 128.0720 62.9129 32.9915 174.4196 68 E 5.2409 8.9038 127.3546 54.8945 33.1973 173.6544 69 F 5.1660 9.6490 126.0252 56.2034 41.1465 175.2945 70 Q 4.5445 9.2429 123.4179 54.6541 32.3627 172.8519 71 D 5.0314 9.0158 126.6146 52.7724 42.5862 176.0825 72 R 4.6689 9.4393 125.7783 55.5788 31.8914 177.7337 73 G 3.7305 7.8823 111.4823 46.2675 0.0000 178.3153 74 R 3.8912 8.9481 125.1505 58.4017 29.6502 176.4103 75 L 4.3674 7.8159 115.5250 54.4989 42.5129 176.4317 76 G 3.8630 8.7109 105.9693 44.6478 0.0000 172.4305 77 R 5.1749 8.2803 117.2861 54.8549 32.0690 175.8142 78 Y 5.0618 9.7430 122.3507 56.5534 41.1121 174.7818 79 V 4.4492 8.4670 120.1385 61.5094 34.6866 174.1731 80 H 5.3887 9.1751 123.8541 53.9122 33.3911 172.7107 81 V 4.6476 8.4271 118.9979 61.2986 33.8162 175.1579 82 R 4.3207 9.2393 128.9718 54.6969 30.9215 175.0465 83 P 4.8532 0.0000 0.0000 62.1151 32.2368 175.3424 84 L 4.5136 8.2608 121.9551 53.9371 44.7107 176.1470 85 A 4.0363 8.4700 123.3679 52.6913 18.4624 177.7261 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 20 R 8.25 4.30 0.00 1.93 1.96 0.00 3.06 0.00 0.00 3.24 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 21 L 8.22 4.13 0.00 1.77 1.79 0.93 0.59 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 22 G 8.43 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 0.00 0.00 0.00 0.00 23 V 8.05 4.01 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 0.95 0.00 0.00 0.85 0.00 0.00 24 K 8.79 4.57 0.00 1.84 1.81 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.53 7.81 25 R 7.76 4.82 0.00 1.68 1.61 0.00 3.21 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 26 Y 7.90 4.84 0.00 3.16 3.10 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 0.00 0.00 0.00 27 E 9.00 4.18 0.00 2.09 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 0.00 2.41 2.55 0.00 28 G 9.51 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.08 3.99 0.00 1.02 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 1.96 1.18 0.00 30 V 8.20 4.36 2.07 0.00 0.00 0.00 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 0.94 0.00 0.00 31 V 9.39 4.63 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 0.58 0.00 0.00 0.96 0.00 0.00 32 R 8.22 5.15 0.00 1.89 1.78 0.00 3.13 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 33 A 9.41 4.39 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 34 G 9.81 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 0.00 0.00 0.00 35 N 8.09 4.41 0.00 2.90 2.77 0.00 0.00 6.89 6.67 0.00 0.00 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 8.37 4.35 1.89 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 1.37 0.47 0.95 0.00 0.00 37 L 9.57 4.55 0.00 1.55 1.52 0.83 -0.07 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 38 V 7.53 4.82 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 1.19 0.00 0.00 0.64 0.00 0.00 39 R 8.92 5.03 0.00 1.84 1.86 0.00 3.25 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 40 Q 8.60 4.86 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 41 R 8.72 4.14 0.00 1.69 1.87 0.00 3.10 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 42 G 7.13 2.76 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 0.00 0.00 0.00 43 T 8.06 4.47 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 1.23 0.00 0.00 44 R 7.95 3.83 0.00 1.69 2.32 0.00 3.21 0.00 0.00 3.51 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.41 0.00 45 F 8.76 5.04 0.00 2.87 2.88 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 46 K 8.44 4.69 0.00 0.79 1.21 0.00 0.69 0.00 0.00 1.37 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.11 0.92 7.81 47 P 0.00 4.54 0.00 2.17 1.95 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 48 G 8.72 4.50 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 0.00 0.00 0.00 49 K 8.89 3.96 0.00 1.80 1.75 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.39 7.81 50 N 8.99 4.36 0.00 3.01 2.85 0.00 0.00 6.53 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 51 V 7.77 4.48 2.25 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 0.56 0.00 0.00 0.88 0.00 0.00 52 G 7.88 3.52 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 0.00 0.00 0.00 0.00 53 M 8.04 5.05 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 54 G 9.55 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.43 3.76 0.00 1.77 1.94 0.00 3.18 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 56 D 8.02 4.78 0.00 2.87 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 57 F 7.78 3.76 0.00 3.49 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 58 T 8.04 4.37 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 1.33 0.00 0.00 59 L 9.00 5.18 0.00 1.57 1.49 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.21 5.45 0.00 3.23 3.05 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 0.00 0.00 0.00 0.00 61 A 8.98 4.52 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 62 L 9.14 3.70 0.00 1.50 1.74 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.47 4.52 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 0.78 0.00 0.00 0.96 0.00 0.00 64 D 8.34 4.83 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.74 4.74 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 0.97 0.00 0.00 0.94 0.00 0.00 67 V 8.89 4.20 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 0.55 0.00 0.00 0.85 0.00 0.00 68 E 8.90 5.24 0.00 2.05 1.72 0.00 0.00 0.00 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 2.49 0.00 69 F 9.65 5.17 0.00 3.05 3.06 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 70 Q 9.24 4.54 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 71 D 9.02 5.03 0.00 2.80 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 72 R 9.44 4.67 0.00 2.21 1.93 0.00 2.71 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 73 G 7.88 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 74 R 8.95 3.89 0.00 1.79 2.02 0.00 3.41 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 L 7.82 4.37 0.00 1.95 1.84 0.94 0.83 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 76 G 8.71 3.86 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 0.00 0.00 0.00 77 R 8.28 5.17 0.00 1.70 2.06 0.00 3.07 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 78 Y 9.74 5.06 0.00 2.83 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 79 V 8.47 4.45 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.61 0.00 0.00 80 H 9.18 5.39 0.00 2.99 3.08 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.43 4.65 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 0.74 0.00 0.00 0.89 0.00 0.00 82 R 9.24 4.32 0.00 1.75 1.84 0.00 3.18 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 83 P 0.00 4.85 0.00 1.92 1.99 0.00 3.67 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 84 L 8.26 4.51 0.00 1.55 1.52 0.92 1.03 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 85 A 8.47 4.04 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