NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3889 0.0000 0.0000 62.3510 32.9823 175.4906 4 R 4.4176 8.1134 121.0398 53.6107 32.1425 174.6188 5 P 4.2033 0.0000 0.0000 66.2084 32.2355 178.7478 6 L 3.8919 7.9243 116.6034 57.6235 41.4751 179.3454 7 D 4.3326 8.3516 119.5659 57.4457 40.6054 178.9245 8 V 3.6115 7.6586 116.8313 65.5547 31.6770 177.4604 9 L 3.9112 7.4749 120.4743 58.0579 41.8785 178.2820 10 N 4.4358 7.7134 116.6170 56.8378 38.6584 176.4778 11 R 4.3322 7.7621 115.1314 57.3819 30.2304 177.0349 12 S 4.7260 8.0144 113.4380 56.4663 64.5430 173.6705 13 L 4.4279 7.8377 122.0259 56.7566 41.4032 177.3114 14 K 4.2210 9.1214 124.2023 55.6499 31.5417 176.7049 15 S 4.8985 7.8461 113.6159 55.9123 65.4568 172.2588 16 P 4.8703 0.0000 0.0000 63.6852 32.5705 175.3006 17 V 4.9511 9.1983 113.5991 60.5371 37.2328 173.1600 18 I 5.1245 8.6597 122.5405 59.6638 40.1243 174.9537 19 V 4.7707 8.7223 126.6719 60.9533 34.4749 174.0451 20 R 4.7392 8.1018 127.5498 54.5108 32.2170 174.9229 21 L 4.9168 8.5873 126.4651 53.0754 44.0273 176.5814 22 K 3.8803 8.4365 121.0641 58.3237 32.3021 178.0803 23 G 3.8487 8.2533 111.4474 44.5753 0.0000 172.8075 24 G 4.1355 7.5958 109.8615 46.3072 0.0000 174.5673 25 R 3.6052 6.8316 120.0818 52.3309 29.3242 175.0120 26 E 5.2726 8.6033 123.0720 54.5418 32.8451 175.4009 27 F 5.4798 9.1591 120.6861 54.9033 43.7577 174.6847 28 R 5.0256 8.3152 118.8815 55.5343 34.0750 174.5702 29 G 4.4513 8.6738 110.8017 46.2187 0.0000 171.1223 30 T 4.7277 7.8930 117.1871 62.6916 70.0104 174.6480 31 L 4.3794 8.5188 128.7999 55.0425 41.8610 176.7019 32 D 4.3553 8.9252 127.6592 57.0364 42.0635 175.8595 33 G 4.3070 7.8867 103.2292 46.3774 0.0000 170.8535 34 Y 5.3980 8.1558 116.8994 57.7060 40.7316 172.1923 35 D 4.3968 8.5675 117.3093 52.5365 41.3465 174.1282 36 I 3.6185 7.9559 118.4608 65.3387 37.2798 177.0091 37 H 4.0955 7.6988 119.1590 58.1395 28.9792 175.8131 38 M 3.4988 8.7189 117.8912 55.4492 31.4646 175.7546 39 N 4.9536 8.0774 113.3378 52.9102 40.1349 174.0476 40 L 5.1720 8.5937 119.1035 53.1634 46.7502 175.7270 41 V 4.8862 8.6105 120.3827 61.2208 34.8440 174.4117 42 L 5.2473 8.6822 126.1832 53.2073 45.6893 176.1678 43 L 4.5028 8.8097 123.6119 54.6469 43.9678 177.0695 44 D 4.3977 8.8015 114.0020 55.0939 37.4116 173.6281 45 A 5.1590 8.5585 128.0225 49.9627 23.8648 174.3019 46 E 5.6205 8.6229 117.3068 53.6145 33.3933 175.4166 47 E 3.3859 8.3818 124.4684 55.8643 31.6204 175.7427 48 I 4.1507 8.8417 128.0474 60.5560 40.1371 175.7715 49 Q 3.7764 8.6771 128.0311 58.5069 29.6532 175.3932 50 N 4.7997 8.1271 117.0951 52.5914 39.0601 173.1375 51 G 4.3607 7.9222 115.9720 44.4585 0.0000 172.1147 52 E 4.4382 8.4244 134.6328 56.1115 36.1198 178.6250 53 V 4.2107 8.4577 119.3424 61.7077 33.3203 173.5064 54 V 4.1015 7.9337 126.9107 62.4399 32.8688 174.8809 55 R 4.4204 6.7688 115.0132 56.3911 31.5236 172.8248 56 K 5.2041 8.4740 117.2013 55.1150 36.6044 177.1884 57 V 4.2035 9.3055 116.2172 61.0762 35.4046 175.8353 58 G 4.1568 8.4345 114.6533 48.2433 0.0000 172.6162 59 S 5.6799 7.6525 111.7687 59.0016 65.2502 176.4256 60 V 4.5184 7.6227 111.7322 60.2358 36.1005 173.2207 61 V 4.8344 8.2800 122.7730 61.2652 33.7420 174.6074 62 I 4.4616 8.4885 128.6418 59.3556 40.2111 175.3190 63 R 4.4422 8.4735 125.3944 55.4641 30.7245 177.6503 64 G 3.4891 9.7492 113.8237 48.2498 0.0000 174.7682 65 D 4.3757 8.0544 118.0759 57.2633 41.5266 177.3170 66 T 4.0901 8.6475 116.5847 65.4938 68.8605 175.0845 67 V 3.9984 7.3408 120.9853 62.8915 32.2105 175.0228 68 V 4.3393 8.8010 126.9712 64.2227 32.8344 175.5274 69 F 5.0630 7.1884 112.8356 55.8124 41.0828 172.7707 70 V 5.2254 8.5994 119.5684 61.3146 34.2672 174.7629 71 S 4.7798 9.0199 121.1735 55.7749 66.7293 171.6220 72 P 4.6011 0.0000 0.0000 63.0493 31.7814 175.9957 73 A 4.3406 8.3742 126.9727 49.9509 18.6585 175.6931 74 P 4.3505 0.0000 0.0000 64.0199 31.4350 176.8489 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 3 P 0.00 4.39 0.00 2.05 2.04 0.00 3.62 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 1.91 2.11 0.00 4 R 8.11 4.42 0.00 2.13 1.83 0.00 3.17 0.00 0.00 3.46 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 5 P 0.00 4.20 0.00 2.14 2.11 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 6 L 7.92 3.89 0.00 1.72 1.83 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.35 4.33 0.00 2.96 2.71 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 8 V 7.66 3.61 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 0.80 0.00 0.00 0.91 0.00 0.00 9 L 7.47 3.91 0.00 1.58 1.06 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.71 4.44 0.00 2.97 3.04 0.00 0.00 7.30 8.86 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 11 R 7.76 4.33 0.00 2.01 1.95 0.00 3.15 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 12 S 8.01 4.73 0.00 3.95 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 13 L 7.84 4.43 0.00 1.68 1.69 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.12 4.22 0.00 1.83 2.31 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.33 7.81 15 S 7.85 4.90 0.00 3.92 3.98 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 0.00 0.00 0.00 16 P 0.00 4.87 0.00 2.16 2.24 0.00 3.71 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 2.09 2.02 0.00 17 V 9.20 4.95 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 0.77 0.00 0.00 1.05 0.00 0.00 18 I 8.66 5.12 2.02 0.00 0.00 0.93 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 1.23 1.03 0.00 0.00 19 V 8.72 4.77 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 0.94 0.00 0.00 20 R 8.10 4.74 0.00 0.82 0.76 0.00 2.93 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 21 L 8.59 4.92 0.00 1.66 1.55 1.08 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.44 3.88 0.00 1.72 1.75 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.41 7.81 23 G 8.25 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 0.00 0.00 0.00 24 G 7.60 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 6.83 3.61 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.48 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 26 E 8.60 5.27 0.00 2.23 1.80 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 2.17 2.35 0.00 27 F 9.16 5.48 0.00 2.91 2.91 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 28 R 8.32 5.03 0.00 1.72 1.81 0.00 3.18 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 29 G 8.67 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.89 4.73 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 1.24 0.00 0.00 31 L 8.52 4.38 0.00 1.82 1.61 1.09 0.98 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 32 D 8.93 4.36 0.00 2.76 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 33 G 7.89 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 0.00 0.00 0.00 0.00 34 Y 8.16 5.40 0.00 3.06 2.94 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 35 D 8.57 4.40 0.00 2.68 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 36 I 7.96 3.62 1.64 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 1.34 0.37 0.85 0.00 0.00 37 H 7.70 4.10 0.00 3.28 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.72 3.50 0.00 2.15 2.44 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 39 N 8.08 4.95 0.00 2.93 2.87 0.00 0.00 6.80 6.62 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 40 L 8.59 5.17 0.00 1.53 1.49 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.61 4.89 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 1.02 0.00 0.00 0.93 0.00 0.00 42 L 8.68 5.25 0.00 1.58 1.51 0.86 0.36 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 43 L 8.81 4.50 0.00 1.63 1.59 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.80 4.40 0.00 2.70 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.56 5.16 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 46 E 8.62 5.62 0.00 1.88 1.88 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 2.20 2.06 0.00 47 E 8.38 3.39 0.00 1.51 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.62 0.00 48 I 8.84 4.15 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.00 0.93 0.00 0.00 49 Q 8.68 3.78 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 50 N 8.13 4.80 0.00 2.85 2.72 0.00 0.00 6.83 7.58 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 51 G 7.92 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.44 0.00 1.85 1.19 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 2.16 2.21 0.00 53 V 8.46 4.21 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 0.83 0.00 0.00 0.91 0.00 0.00 54 V 7.93 4.10 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 0.82 0.00 0.00 0.87 0.00 0.00 55 R 6.77 4.42 0.00 1.89 1.99 0.00 2.89 0.00 0.00 3.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.40 0.00 56 K 8.47 5.20 0.00 1.60 1.70 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.43 7.81 57 V 9.31 4.20 2.15 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 0.76 0.00 0.00 1.15 0.00 0.00 58 G 8.43 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.65 5.68 0.00 3.86 3.82 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 60 V 7.62 4.52 1.90 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 0.76 0.00 0.00 0.87 0.00 0.00 61 V 8.28 4.83 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 0.79 0.00 0.00 0.91 0.00 0.00 62 I 8.49 4.46 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.73 0.80 0.00 0.00 63 R 8.47 4.44 0.00 1.81 1.84 0.00 3.29 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 64 G 9.75 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.38 0.00 2.63 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 66 T 8.65 4.09 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 1.18 0.00 0.00 67 V 7.34 4.00 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 0.68 0.00 0.00 0.89 0.00 0.00 68 V 8.80 4.34 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 0.93 0.00 0.00 0.87 0.00 0.00 69 F 7.19 5.06 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 70 V 8.60 5.23 2.11 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 0.88 0.00 0.00 0.94 0.00 0.00 71 S 9.02 4.78 0.00 3.86 3.82 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 72 P 0.00 4.60 0.00 1.96 2.05 0.00 3.66 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 2.02 2.10 0.00 73 A 8.37 4.34 1.26 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 0.00 0.00 0.00 74 P 0.00 4.35 0.00 2.05 2.01 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00