NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.3544 0.0000 0.0000 61.9560 32.7373 175.2831 11 P 4.5244 0.0000 0.0000 60.9502 33.1566 173.0061 12 A 4.5848 8.8555 122.7552 50.2880 21.5201 178.1819 13 L 4.2981 8.1849 122.2480 55.0713 43.1742 175.7374 14 H 5.2841 8.5436 119.5003 53.8658 31.9760 172.3068 15 L 4.5990 10.0644 126.4345 54.1071 43.2489 175.6122 16 V 4.2217 9.2899 128.2826 61.9760 32.2281 174.8817 17 D 4.6849 8.7207 128.5876 52.9107 41.7579 176.6426 18 P 4.3073 0.0000 0.0000 65.4119 31.4002 177.4417 19 Q 4.0941 8.2860 116.7337 58.4248 28.2775 177.0224 20 I 4.5351 7.6116 118.7996 59.0879 39.2948 174.8173 21 Q 4.7023 8.3152 123.0221 53.9626 32.8970 174.5958 22 L 4.3726 8.4528 124.7445 55.8123 43.7416 175.7422 23 T 5.7625 8.1868 117.7143 61.9340 72.5262 173.3017 24 I 4.6680 8.4095 125.7384 58.7502 40.9746 174.7653 25 T 3.5344 8.5534 112.4097 62.5082 68.0999 172.8992 *39 D 4.2337 8.5349 125.3260 54.2686 41.8051 173.3372 40 P 4.0378 0.0000 0.0000 60.2453 29.6031 174.3531 41 K 4.3289 8.3766 124.0580 55.1172 35.7849 175.1091 42 V 4.9312 7.9758 125.3075 60.4470 33.2907 174.1464 43 Y 4.9035 8.6423 125.7302 55.1635 40.8354 173.9419 44 P 4.5206 0.0000 0.0000 63.4204 33.0534 174.5499 45 I 4.7415 7.9993 119.9325 59.5399 40.0872 174.9959 46 I 4.8958 8.5612 127.1249 59.4340 39.8593 174.3640 47 L 4.8220 8.7270 127.0247 53.1182 43.3268 176.9000 48 R 3.7371 8.9257 125.0405 57.7612 29.8188 175.0462 49 L 3.5110 8.1459 128.9821 55.4804 39.2771 174.1846 50 G 3.8018 8.1451 111.2596 46.5946 0.0000 172.5084 51 S 4.7988 7.5074 116.1609 56.2726 65.5490 173.4760 52 N 4.8643 8.1467 113.9548 50.6788 38.6331 173.4180 53 L 3.9345 7.7969 121.1224 54.3661 42.9640 176.7925 54 S 4.8148 8.3552 114.7603 56.3375 65.0760 172.9935 55 L 5.0091 8.1367 127.0040 53.4641 45.3324 175.0105 56 S 5.0743 8.5477 118.6135 57.2836 66.4735 172.7298 57 M 4.5019 8.9815 122.0336 54.3888 33.3470 174.4493 58 A 5.9400 8.5401 127.6140 49.8169 21.7014 175.7783 59 R 4.7701 8.4135 118.7873 54.2433 34.8661 174.9660 60 R 2.8850 8.4689 121.8061 56.4755 30.7842 176.8615 61 N 4.5072 7.9878 122.7894 52.2270 37.1545 174.1090 62 L 4.4844 7.8583 119.2698 54.0316 42.0971 176.9419 63 D 4.7805 7.8158 115.6491 52.6693 40.6331 174.3775 64 S 4.6304 7.6598 112.6070 57.6276 65.5916 173.3584 65 L 4.6218 9.1841 117.5323 55.9741 42.9605 175.7550 66 E 4.3713 7.9691 116.6053 56.9965 31.1993 176.1423 67 A 4.3239 7.6922 121.5271 50.9133 19.5183 176.7209 68 R 4.0507 8.2877 117.6439 56.4459 30.9011 176.9984 69 A 4.2678 8.9393 123.3549 55.0192 19.0042 177.1957 70 F 5.1128 8.1517 111.5531 55.5163 42.2156 174.6653 71 Q 4.2057 9.6388 126.1850 55.9042 30.1972 174.3039 72 S 4.9979 8.7755 121.4343 57.1893 64.1759 173.5327 73 T 4.4919 8.9244 125.8762 60.7113 69.4270 171.5583 74 P 4.4476 0.0000 0.0000 63.2140 32.2051 175.5102 75 I 4.5108 8.4884 124.9633 59.1693 38.9913 175.9787 76 V 3.5782 8.4854 127.0890 61.5464 31.0403 175.9259 77 V 4.0233 8.2048 126.0146 61.7297 31.4365 175.2131 78 Q 4.5190 8.1071 129.9135 55.7097 29.3542 175.4350 79 M 4.6622 7.9124 112.8539 55.1606 31.8660 175.3780 80 T 4.6876 9.6466 116.4667 61.6448 71.9698 173.3256 81 K 4.6899 8.7234 126.8268 55.9108 33.3083 175.6720 82 L 4.7792 8.6645 126.2815 53.3371 43.7274 175.8653 83 A 4.4875 8.8267 122.7997 53.1279 21.2872 176.9774 84 T 4.5524 8.3658 110.4854 60.2424 69.4667 174.4767 85 T 4.0768 8.4135 121.7055 63.5219 67.5099 174.9357 86 E 4.1081 7.7387 120.9544 58.9376 29.8261 177.1143 87 E 4.1623 7.8778 116.5629 57.8946 29.8259 176.9113 88 L 4.3120 7.2184 119.1846 52.9626 42.7690 174.6815 89 P 4.7553 0.0000 0.0000 61.6612 32.8208 176.8344 90 D 4.5014 8.6627 117.9016 56.7620 40.8882 177.1283 91 E 4.5419 7.4686 114.1898 54.5417 33.2045 174.2750 92 F 5.0090 7.5375 115.6509 56.8105 40.6923 173.0368 93 V 4.4312 8.4010 112.3032 59.6973 34.3892 175.6293 94 V 4.5987 8.1609 122.3442 61.2726 33.9152 175.7928 95 V 3.8978 9.2629 129.9312 62.2996 31.3137 174.2831 96 T 4.2285 8.3612 122.7601 62.2203 68.3078 175.3847 97 A 4.2543 8.1294 135.0000 51.9372 17.1467 177.1815 98 K 4.1309 7.6545 126.4585 56.4247 32.3116 176.2159 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 10 P 0.00 4.35 0.00 2.06 2.06 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 11 P 0.00 4.52 0.00 2.60 2.09 0.00 3.75 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 1.92 2.03 0.00 12 A 8.86 4.58 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 13 L 8.18 4.30 0.00 1.53 1.51 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.54 5.28 0.00 3.05 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 10.06 4.60 0.00 1.62 1.60 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.29 4.22 2.19 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 0.96 0.00 0.00 0.94 0.00 0.00 17 D 8.72 4.68 0.00 2.94 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 18 P 0.00 4.31 0.00 2.17 2.20 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 19 Q 8.29 4.09 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 20 I 7.61 4.54 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 1.31 0.69 0.93 0.00 0.00 21 Q 8.32 4.70 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 22 L 8.45 4.37 0.00 1.83 1.65 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.19 5.76 4.28 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 1.25 0.00 0.00 24 I 8.41 4.67 1.98 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 1.63 0.84 0.92 0.00 0.00 25 T 8.55 3.53 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 *39 D 8.53 4.23 0.00 2.65 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.04 0.00 2.22 2.03 0.00 3.77 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 1.98 2.05 0.00 41 K 8.38 4.33 0.00 1.91 1.97 0.00 1.76 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.84 7.81 42 V 7.98 4.93 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 1.30 0.00 0.00 0.92 0.00 0.00 43 Y 8.64 4.90 0.00 3.02 2.95 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 44 P 0.00 4.52 0.00 2.14 2.26 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.13 0.00 45 I 8.00 4.74 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.05 0.94 0.00 0.00 46 I 8.56 4.90 2.06 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.46 0.86 0.00 0.00 47 L 8.73 4.82 0.00 1.61 1.59 0.93 0.83 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 48 R 8.93 3.74 0.00 1.94 1.95 0.00 3.28 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 49 L 8.15 3.51 0.00 1.84 1.87 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.15 3.80 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 0.00 0.00 0.00 51 S 7.51 4.80 0.00 3.98 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 52 N 8.15 4.86 0.00 2.67 2.75 0.00 0.00 6.74 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 53 L 7.80 3.93 0.00 1.61 1.64 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.36 4.81 0.00 3.78 3.70 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 55 L 8.14 5.01 0.00 1.75 1.43 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.55 5.07 0.00 3.87 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 57 M 8.98 4.50 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 58 A 8.54 5.94 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 59 R 8.41 4.77 0.00 1.71 1.75 0.00 3.37 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 60 R 8.47 2.88 0.00 1.42 1.49 0.00 3.18 0.00 0.00 2.63 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.40 0.00 61 N 7.99 4.51 0.00 2.76 2.71 0.00 0.00 7.16 7.92 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 62 L 7.86 4.48 0.00 1.61 1.61 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.82 4.78 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 64 S 7.66 4.63 0.00 3.89 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 65 L 9.18 4.62 0.00 1.69 1.67 0.92 1.08 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 66 E 7.97 4.37 0.00 2.07 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 2.20 2.36 0.00 67 A 7.69 4.32 1.27 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 0.00 0.00 0.00 68 R 8.29 4.05 0.00 1.85 2.04 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 69 A 8.94 4.27 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 5.11 0.00 2.80 2.97 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 71 Q 9.64 4.21 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 72 S 8.78 5.00 0.00 3.93 3.76 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 73 T 8.92 4.49 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 74 P 0.00 4.45 0.00 1.93 2.03 0.00 3.65 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 2.04 2.16 0.00 75 I 8.49 4.51 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 1.29 0.76 0.92 0.00 0.00 76 V 8.49 3.58 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 0.68 0.00 0.00 0.93 0.00 0.00 77 V 8.20 4.02 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 0.82 0.00 0.00 0.99 0.00 0.00 78 Q 8.11 4.52 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 79 M 7.91 4.66 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 80 T 9.65 4.69 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 1.21 0.00 0.00 81 K 8.72 4.69 0.00 1.88 1.73 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.48 7.81 82 L 8.66 4.78 0.00 1.46 1.49 0.81 0.64 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 83 A 8.83 4.49 1.24 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 0.00 0.00 0.00 84 T 8.37 4.55 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 1.31 0.00 0.00 85 T 8.41 4.08 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 1.23 0.00 0.00 86 E 7.74 4.11 0.00 1.92 1.95 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 2.32 2.29 0.00 87 E 7.88 4.16 0.00 2.00 1.95 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 2.33 2.35 0.00 88 L 7.22 4.31 0.00 1.64 1.47 0.63 0.62 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 89 P 0.00 4.76 0.00 2.32 2.25 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.09 0.00 90 D 8.66 4.50 0.00 2.71 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 91 E 7.47 4.54 0.00 2.06 1.95 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 2.20 2.23 0.00 92 F 7.54 5.01 0.00 3.19 3.11 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 93 V 8.40 4.43 2.05 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 0.45 0.00 0.00 1.09 0.00 0.00 94 V 8.16 4.60 2.16 0.00 0.00 0.00 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 1.26 0.00 0.00 95 V 9.26 3.90 2.10 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 0.96 0.00 0.00 0.96 0.00 0.00 96 T 8.36 4.23 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 1.22 0.00 0.00 97 A 8.13 4.25 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 98 K 7.65 4.13 0.00 1.75 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.