NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.7492 8.4293 117.3773 53.9487 30.3721 173.4447 4 E 4.3965 8.1408 113.2540 56.7347 30.1017 174.4481 5 H 4.7027 8.7786 116.8720 55.9625 30.1564 175.4558 6 C 4.2913 7.8938 118.4811 60.0434 29.0937 174.1416 7 C 4.1007 8.7349 124.5766 57.5342 40.0471 172.0963 8 S 4.5157 8.3379 118.9192 56.7488 66.0082 174.8591 9 E 3.6041 8.5846 120.3586 59.7677 28.9835 179.4818 10 E 3.8344 8.0442 117.4302 60.0415 29.6465 178.3829 11 D 4.2665 7.8588 117.7277 58.7254 40.8510 179.1268 12 H 4.0786 8.7321 115.5993 58.5168 28.7178 177.4618 13 R 3.8387 8.1687 121.9777 59.4924 29.6485 178.4640 14 I 3.5973 7.9306 119.7731 64.2115 37.1117 178.0736 15 V 2.8494 7.4012 118.8682 66.1797 30.8967 177.7947 16 Q 4.0144 8.2126 116.2889 59.0757 28.8084 178.9571 17 K 4.0906 7.9850 120.1520 59.8669 32.1114 178.8706 18 Q 4.1326 8.5312 118.5402 58.6378 28.8209 178.3142 19 W 4.4056 8.9771 129.4269 59.8994 30.4056 177.5340 20 D 4.1924 7.8823 118.6627 56.6612 40.1212 178.2401 21 I 3.5844 7.1056 119.9320 64.2229 37.0142 178.0988 22 L 3.6600 6.3379 118.0097 57.0950 41.3735 179.0820 23 W 5.0534 6.3180 116.2602 57.3994 29.2754 178.4728 24 R 4.1119 8.1835 120.2924 58.4054 30.3446 176.9788 25 D 4.9148 7.8191 116.9225 51.4579 41.1096 177.3834 26 T 3.9735 8.5377 111.7662 64.6191 68.8634 173.9238 27 E 4.3867 7.6454 122.5614 55.8475 29.6281 178.4122 28 S 4.0295 8.0644 116.9938 61.5670 63.0652 175.3533 29 S 3.9286 7.9757 117.3353 61.3766 62.4302 176.1277 30 K 3.8057 8.0870 123.3726 59.6290 31.7938 177.8186 31 I 3.9315 7.6988 119.9375 62.8929 36.9828 178.2785 32 K 4.0960 8.7920 119.3288 60.4947 32.0564 178.5929 33 I 3.7683 8.3147 120.4139 63.7294 36.8276 178.2746 34 G 4.1935 8.4099 106.0956 48.2381 0.0000 175.0712 35 F 4.3706 8.9831 123.6359 61.0386 39.5653 177.4418 36 G 3.6398 8.9065 105.6925 47.6457 0.0000 175.3576 37 R 3.8705 8.9309 122.0897 59.2106 30.1274 178.0901 38 L 3.9218 8.1787 120.1725 58.3009 42.2248 178.8235 39 L 3.7642 7.9256 119.0026 57.9766 41.5437 179.7470 40 L 4.3527 8.1197 118.5676 58.1776 41.5444 179.2593 41 T 3.9021 8.2886 115.9158 66.8699 68.5654 176.2902 42 K 3.8946 8.5815 121.3745 58.7410 32.0411 178.5157 43 L 4.1294 7.5029 119.1976 58.3892 42.0828 178.4364 44 A 4.2022 8.0534 119.0820 54.7302 18.2465 179.3534 45 K 4.0323 8.0073 117.8933 59.9948 32.4807 178.5488 46 D 4.8426 7.5817 115.6755 55.5245 41.3048 176.7333 47 I 4.4713 8.0236 120.4365 58.0423 39.2430 173.6161 48 P 4.3567 0.0000 0.0000 65.4139 31.0391 177.6505 49 E 4.0210 8.1868 115.2628 58.1158 29.5215 178.6689 50 V 3.5128 7.4807 120.3124 66.1569 30.7615 177.1936 51 N 4.2243 8.2282 116.4763 56.9692 37.8962 176.8898 52 D 4.5480 7.9927 119.2327 56.8015 40.7733 178.6950 53 L 4.0046 8.0809 119.5620 57.5052 42.0695 178.4779 54 F 5.0204 7.2044 112.5353 57.6004 38.7716 177.4492 55 K 3.9294 7.6257 121.3853 59.7172 31.7806 178.6026 56 R 3.9413 8.1327 117.2009 58.9042 29.7700 177.5264 57 V 4.2950 7.3989 109.7654 60.0731 33.7376 175.4179 58 D 4.3185 8.3694 116.2045 55.4708 39.7227 174.8163 59 I 2.6640 7.4230 117.8945 62.9778 38.7941 176.0135 60 E 3.9259 8.1455 120.2880 58.8679 29.6652 176.2555 61 H 4.6107 7.8504 117.0828 53.0200 28.1269 174.3895 62 A 3.9923 8.4228 126.6042 55.0931 18.2977 178.9926 63 E 4.3101 8.1728 110.0668 57.0388 30.5540 177.5854 64 G 3.7480 8.4774 109.6491 43.9869 0.0000 172.1929 65 P 4.2366 0.0000 0.0000 66.2486 30.7429 178.3347 66 K 3.8413 8.2069 117.8250 59.3617 31.8894 178.6169 67 F 4.4414 8.1940 119.7582 61.2964 39.6438 177.0756 68 S 3.9209 8.4683 114.9794 61.6824 62.6536 176.6074 69 A 3.8808 8.4163 123.3885 55.4325 18.1638 178.7659 70 H 3.8280 7.6920 114.8905 59.5780 29.8197 176.7644 71 A 3.5493 8.0013 122.7847 55.6219 17.7037 179.2805 72 L 3.8403 7.7447 116.8575 57.5628 41.4567 179.8384 73 R 3.8998 7.8018 118.2042 59.7358 30.3864 178.4117 74 I 3.6963 7.7005 118.2934 63.7429 38.1302 177.2241 75 L 4.0931 8.0381 120.9775 58.7386 41.9659 178.9524 76 N 4.5970 9.5198 117.5414 56.2690 38.7356 177.2700 77 G 3.6077 8.3966 108.0344 47.6002 0.0000 175.3841 78 L 3.9567 8.0593 122.4866 57.9383 41.9800 178.1642 79 D 4.5069 8.1778 117.5834 57.3564 41.0084 177.6709 80 L 3.9239 7.8401 119.5896 58.4175 42.3994 178.4923 81 A 4.1247 8.2184 120.4135 55.4637 18.3106 179.5013 82 I 3.4671 7.8172 117.8664 64.6422 37.0785 178.2467 83 N 4.6422 8.7060 114.5426 54.6985 38.1051 175.5862 84 L 4.6484 7.4463 119.7656 54.1935 42.4834 178.1584 85 L 3.5129 7.7306 120.5051 57.2132 42.1401 177.6111 86 D 4.5868 7.0226 119.5258 51.4722 40.4494 176.7658 87 D 5.3263 7.5070 127.8813 53.2130 43.3837 174.4637 88 P 4.1820 0.0000 0.0000 65.4712 31.7367 176.3420 89 P 4.1542 0.0000 0.0000 65.2363 31.0073 178.0598 90 A 3.9110 8.1854 120.5566 54.6584 18.3191 178.9915 91 L 3.8268 7.9840 118.8533 58.8763 42.0552 178.1744 92 D 4.2834 8.8041 117.7552 57.4907 40.9986 177.8716 93 A 3.9631 8.3637 120.3585 55.5246 17.9761 179.2618 94 A 3.9623 8.6119 119.1536 55.5588 18.2914 179.9421 95 L 4.0062 8.2346 117.5331 57.7815 41.8046 178.7947 96 D 4.3153 8.5031 118.4995 57.8244 41.1181 177.8854 97 H 4.1690 8.4213 118.4205 59.5521 29.7040 177.2212 98 L 4.1080 7.7171 119.3519 57.3982 41.2500 179.3945 99 A 4.8195 8.0062 122.4612 55.2497 18.1568 179.2600 100 H 4.0728 8.0800 114.5691 59.2565 28.5837 177.8201 101 Q 4.2141 7.9440 117.9108 58.0458 28.9254 177.1274 102 H 4.7206 7.7191 115.1990 56.2358 29.8445 176.4610 103 E 4.0186 8.1634 121.5612 59.4942 29.4729 178.1232 104 V 3.9695 7.3673 106.8026 61.9875 31.0346 177.1793 105 R 4.4813 7.5127 122.0811 53.6407 29.2210 174.9337 106 E 4.0032 8.1473 119.4536 57.2848 30.4030 177.1494 107 G 4.0091 8.8944 109.4329 46.1119 0.0000 174.1411 108 V 3.9609 7.3211 119.0777 62.2602 31.4054 175.0161 109 Q 4.7362 8.3006 124.9145 53.7086 31.5963 176.4474 110 K 3.7218 8.8023 118.3237 60.1161 32.1799 179.0448 111 A 4.0304 8.2261 119.9596 55.6746 17.9351 179.3642 112 H 4.3106 8.4435 114.6987 59.2021 28.8757 177.9057 113 F 4.0611 8.8736 119.5788 60.4654 38.8882 177.3109 114 K 3.9130 8.4596 118.8454 59.6818 31.7175 178.3267 115 K 3.9461 8.1034 119.0609 59.6814 32.1871 178.3756 116 F 4.1131 8.7962 121.5138 61.2877 39.0337 177.4082 117 G 3.6356 8.9119 105.5342 47.9782 0.0000 175.4570 118 E 3.9853 8.0917 121.5523 59.0368 29.4543 179.7397 119 I 3.6182 7.9085 119.9245 64.2780 37.2068 178.2191 120 L 3.6837 7.8426 121.3096 58.0065 41.6060 178.8386 121 A 4.0656 8.0256 119.8030 54.7020 18.3968 178.9454 122 T 4.2122 7.3118 113.1657 64.8368 69.1671 177.2333 123 G 3.7108 7.7565 108.0827 47.4253 0.0000 175.5480 124 L 3.7609 7.6570 122.5186 56.9315 41.4792 177.8520 125 P 3.8777 0.0000 0.0000 64.5824 31.0575 177.0291 126 Q 4.2198 8.1325 117.4576 56.9001 29.2425 176.4810 127 V 4.0751 7.7491 111.6809 60.8100 33.4357 175.5716 128 L 4.5459 7.3873 119.7962 52.5058 42.9381 176.1240 129 D 4.2880 8.7685 124.1238 55.3120 39.7050 175.5216 130 D 4.7635 7.9304 119.2099 52.3986 41.3085 174.3055 131 Y 4.8842 8.3833 126.9068 55.8392 41.8409 174.8005 132 D 4.6273 7.8399 126.4251 51.3510 41.0499 175.8590 133 A 3.6767 8.0913 126.4923 54.7662 18.5937 178.8740 134 L 3.9045 7.9179 116.3044 57.9371 41.7640 179.4022 135 A 3.9027 8.4803 120.6498 55.0114 18.2799 179.4779 136 W 3.9463 8.0311 117.2319 59.8880 29.2325 178.3666 137 K 3.9329 8.4992 119.6804 59.8983 31.1728 178.5209 138 S 4.1575 7.9809 114.8707 62.0363 62.8312 176.3376 139 C 4.2859 8.1213 118.7202 60.0918 37.9412 175.9776 140 L 3.9935 8.7146 121.1053 57.8672 41.0995 179.3348 141 K 4.0233 8.3702 119.5012 59.6199 32.2847 178.6791 142 G 3.8464 7.8702 105.2868 48.3913 0.0000 175.2261 143 I 3.7751 7.9219 121.8707 63.9162 36.9889 178.1391 144 L 4.2125 8.3285 119.8061 58.6491 42.0075 179.6573 145 T 3.9403 8.2681 115.4890 66.7186 68.2564 176.4905 146 K 3.8852 7.7695 120.0117 59.6524 32.3759 178.5584 147 I 3.9369 7.8905 120.4963 63.3880 37.0975 177.3086 148 S 4.2324 7.4971 112.9221 57.7313 62.8562 176.1384 149 S 4.2495 7.4765 113.5838 59.1576 62.0278 175.0394 150 R 4.4224 8.2092 121.1313 55.6974 31.6130 175.1935 151 L 4.0454 7.9891 121.4446 55.0826 42.5840 175.5841 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 H 8.43 4.75 0.00 2.95 3.05 0.00 7.13 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.14 4.40 0.00 2.04 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 2.07 2.12 0.00 5 H 8.78 4.70 0.00 3.17 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 7.89 4.29 0.00 2.96 2.87 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 0.00 0.00 0.00 0.00 7 C 8.73 4.10 0.00 3.15 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 8 S 8.34 4.52 0.00 4.09 3.99 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 0.00 0.00 0.00 0.00 9 E 8.58 3.60 0.00 1.93 1.98 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 2.40 2.35 0.00 10 E 8.04 3.83 0.00 1.92 1.94 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 2.36 2.32 0.00 11 D 7.86 4.27 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.73 4.08 0.00 3.16 3.45 0.00 5.28 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.17 3.84 0.00 1.93 2.06 0.00 3.08 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 14 I 7.93 3.60 2.01 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 1.60 0.77 0.89 0.00 0.00 15 V 7.40 2.85 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 -0.56 0.00 0.00 0.13 0.00 0.00 16 Q 8.21 4.01 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 17 K 7.98 4.09 0.00 1.96 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 Q 8.53 4.13 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 19 W 8.98 4.41 0.00 3.72 3.33 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 20 D 7.88 4.19 0.00 2.96 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.11 3.58 1.76 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 1.48 0.68 0.81 0.00 0.00 22 L 6.34 3.66 0.00 0.27 0.13 -0.55 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 23 W 6.32 5.05 0.00 3.22 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 24 R 8.18 4.11 0.00 1.78 1.98 0.00 3.16 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 25 D 7.82 4.91 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.54 3.97 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 27 E 7.65 4.39 0.00 2.11 1.96 0.00 0.00 0.00 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 2.38 0.00 28 S 8.06 4.03 0.00 3.45 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 29 S 7.98 3.93 0.00 4.01 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 30 K 8.09 3.81 0.00 1.87 1.96 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.63 7.81 31 I 7.70 3.93 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.60 1.17 0.00 0.00 32 K 8.79 4.10 0.00 1.64 1.81 0.00 1.31 0.00 0.00 1.41 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.77 7.81 33 I 8.31 3.77 1.95 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 1.53 0.92 0.90 0.00 0.00 34 G 8.41 4.19 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 0.00 0.00 0.00 35 F 8.98 4.37 0.00 3.11 3.22 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 36 G 8.91 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.93 3.87 0.00 1.83 2.24 0.00 3.34 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 38 L 8.18 3.92 0.00 1.79 1.82 0.93 0.70 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 39 L 7.93 3.76 0.00 1.75 1.61 0.54 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.12 4.35 0.00 2.04 1.92 0.47 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.29 3.90 4.46 0.00 0.00 0.00 0.00 0.00 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 42 K 8.58 3.89 0.00 1.80 1.85 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 43 L 7.50 4.13 0.00 2.20 2.08 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.05 4.20 1.36 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 45 K 8.01 4.03 0.00 1.75 1.96 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 D 7.58 4.84 0.00 2.77 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 47 I 8.02 4.47 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.99 0.00 0.00 48 P 0.00 4.36 0.00 2.26 2.31 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 49 E 8.19 4.02 0.00 2.15 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 0.00 2.34 2.47 0.00 50 V 7.48 3.51 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 0.79 0.00 0.00 0.72 0.00 0.00 51 N 8.23 4.22 0.00 2.95 2.88 0.00 0.00 7.10 8.89 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 52 D 7.99 4.55 0.00 2.69 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 53 L 8.08 4.00 0.00 1.13 1.44 0.71 0.97 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 54 F 7.20 5.02 0.00 3.09 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 55 K 7.63 3.93 0.00 2.02 1.88 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 56 R 8.13 3.94 0.00 1.88 2.03 0.00 3.46 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 57 V 7.40 4.30 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 0.78 0.00 0.00 1.05 0.00 0.00 58 D 8.37 4.32 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.42 2.66 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.22 0.96 0.00 0.00 60 E 8.15 3.93 0.00 1.94 2.02 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 2.25 2.30 0.00 61 H 7.85 4.61 0.00 3.58 3.24 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.42 3.99 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 63 E 8.17 4.31 0.00 2.13 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 0.00 2.30 2.27 0.00 64 G 8.48 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.28 2.37 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 66 K 8.21 3.84 0.00 1.83 2.16 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.49 7.81 67 F 8.19 4.44 0.00 3.32 3.18 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 0.00 68 S 8.47 3.92 0.00 4.02 3.90 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 69 A 8.42 3.88 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 70 H 7.69 3.83 0.00 3.20 3.22 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.00 3.55 1.02 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 72 L 7.74 3.84 0.00 1.88 1.61 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.80 3.90 0.00 1.84 1.95 0.00 3.15 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 74 I 7.70 3.70 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.79 0.00 0.00 75 L 8.04 4.09 0.00 1.96 1.92 1.31 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 76 N 9.52 4.60 0.00 2.82 2.91 0.00 0.00 7.11 7.79 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 77 G 8.40 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.96 0.00 1.87 2.07 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.18 4.51 0.00 3.22 3.04 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 80 L 7.84 3.92 0.00 1.71 1.99 0.94 0.99 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 81 A 8.22 4.12 1.36 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 82 I 7.82 3.47 1.74 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.68 0.00 0.00 83 N 8.71 4.64 0.00 2.82 2.93 0.00 0.00 6.98 8.39 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 84 L 7.45 4.65 0.00 1.69 1.62 0.92 0.55 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 85 L 7.73 3.51 0.00 1.68 1.41 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.02 4.59 0.00 2.45 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.51 5.33 0.00 2.72 2.52 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 88 P 0.00 4.18 0.00 2.29 2.29 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 89 P 0.00 4.15 0.00 2.28 2.35 0.00 3.70 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 2.35 2.03 0.00 90 A 8.19 3.91 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 91 L 7.98 3.83 0.00 1.89 1.83 0.97 1.02 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 92 D 8.80 4.28 0.00 2.99 2.77 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 93 A 8.36 3.96 1.42 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 0.00 0.00 94 A 8.61 3.96 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 95 L 8.23 4.01 0.00 1.84 1.73 0.92 0.92 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 96 D 8.50 4.32 0.00 2.75 2.87 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 0.00 0.00 0.00 0.00 97 H 8.42 4.17 0.00 3.35 3.54 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.72 4.11 0.00 2.02 1.77 0.97 0.94 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 99 A 8.01 4.82 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 0.00 100 H 8.08 4.07 0.00 3.33 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.94 4.21 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 102 H 7.72 4.72 0.00 3.44 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.16 4.02 0.00 1.98 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 0.00 2.33 2.28 0.00 104 V 7.37 3.97 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 0.74 0.00 0.00 0.94 0.00 0.00 105 R 7.51 4.48 0.00 1.98 1.85 0.00 3.30 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 106 E 8.15 4.00 0.00 2.07 1.96 0.00 0.00 0.00 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 2.31 0.00 107 G 8.89 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 0.00 0.00 0.00 108 V 7.32 3.96 2.28 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 1.07 0.00 0.00 0.98 0.00 0.00 109 Q 8.30 4.74 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.58 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 110 K 8.80 3.72 0.00 1.79 1.91 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.45 7.81 111 A 8.23 4.03 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 0.00 112 H 8.44 4.31 0.00 3.65 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.87 4.06 0.00 3.23 3.21 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 0.00 0.00 0.00 0.00 114 K 8.46 3.91 0.00 1.90 2.09 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.59 7.81 115 K 8.10 3.95 0.00 2.21 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.65 7.81 116 F 8.80 4.11 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 0.00 117 G 8.91 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.99 0.00 2.23 2.02 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 2.36 2.59 0.00 119 I 7.91 3.62 1.70 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 1.35 0.97 0.73 0.00 0.00 120 L 7.84 3.68 0.00 1.30 1.67 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.03 4.07 1.42 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 0.00 0.00 122 T 7.31 4.21 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 1.16 0.00 0.00 123 G 7.76 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 0.00 124 L 7.66 3.76 0.00 0.90 1.08 0.21 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 3.88 0.00 1.94 1.27 0.00 3.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 126 Q 8.13 4.22 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 127 V 7.75 4.08 1.79 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 0.55 0.00 0.00 0.49 0.00 0.00 128 L 7.39 4.55 0.00 1.52 1.55 0.85 0.79 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 0.00 129 D 8.77 4.29 0.00 2.77 2.77 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 0.00 130 D 7.93 4.76 0.00 2.67 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 0.00 131 Y 8.38 4.88 0.00 2.74 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 0.00 132 D 7.84 4.63 0.00 2.78 2.49 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 0.00 133 A 8.09 3.68 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.92 3.90 0.00 1.84 1.73 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.48 3.90 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 0.00 136 W 8.03 3.95 0.00 3.22 3.37 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 0.00 137 K 8.50 3.93 0.00 1.98 1.89 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.59 7.81 138 S 7.98 4.16 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 C 8.12 4.29 0.00 2.94 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 0.00 140 L 8.71 3.99 0.00 1.88 1.89 1.19 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.37 4.02 0.00 1.99 2.03 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 142 G 7.87 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 0.00 143 I 7.92 3.78 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 0.96 0.00 0.00 144 L 8.33 4.21 0.00 1.77 2.06 1.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.27 3.94 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 146 K 7.77 3.89 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 147 I 7.89 3.94 2.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 1.03 0.00 0.00 148 S 7.50 4.23 0.00 3.35 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 0.00 149 S 7.48 4.25 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.21 4.42 0.00 1.62 1.80 0.00 2.98 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 151 L 7.99 4.05 0.00 1.51 1.45 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.