NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.9543 8.2676 118.3652 52.3244 37.6848 173.4379 12 P 4.8152 0.0000 0.0000 61.0205 32.4882 175.0938 13 I 4.2313 8.5835 114.5120 59.3196 40.2082 176.1156 14 Y 4.6884 8.1936 122.0919 55.7569 40.2306 176.1473 15 F 4.2689 9.5986 124.1859 61.6796 39.3214 177.5709 16 E 3.8417 8.3180 117.3930 58.9066 29.7055 179.0079 17 S 4.0961 8.0559 115.7665 60.9690 63.1167 174.8292 18 I 4.0158 7.2334 122.1986 60.7381 37.4317 175.2359 19 Q 4.4908 9.4706 123.7361 53.5810 30.8162 175.1284 20 I 3.7552 8.2081 122.0410 63.0740 37.5215 175.5254 21 G 4.0905 8.6549 113.1090 45.6318 0.0000 174.2874 22 E 4.1595 8.0803 119.7771 56.3655 30.4427 176.1533 23 K 5.1105 8.6606 124.3766 54.6794 35.5589 174.8425 24 I 4.5251 9.2083 127.4156 59.5077 39.8564 174.0223 25 E 4.7455 8.8274 128.1851 54.4398 30.5425 175.7118 26 G 3.9332 8.7185 114.9833 45.4806 0.0000 172.3687 27 L 4.3654 8.2592 122.9219 53.4022 42.7274 174.9897 28 P 4.8353 0.0000 0.0000 63.0169 32.3022 175.8822 29 R 4.7022 8.4347 117.6744 55.1484 33.2931 174.1489 30 T 4.7489 8.4798 118.9668 62.9272 69.1195 174.9286 31 V 3.9485 8.5474 127.8884 62.0381 32.2732 175.5323 32 T 4.8314 8.8745 117.6563 59.2849 70.9516 174.1535 33 E 4.0935 8.8412 123.3673 59.8320 29.4076 178.5674 34 T 3.9536 8.0004 115.1117 66.8180 68.4925 175.9129 35 D 4.3768 8.0198 120.0020 57.4886 40.9372 178.6087 36 I 3.7563 7.8943 120.0047 64.4755 37.1916 178.6105 37 W 3.2800 8.9244 119.9398 59.6741 28.6970 178.7631 38 T 3.8065 8.2396 116.1261 66.5922 67.9370 176.4379 39 F 3.8993 8.2199 122.2872 61.0958 39.4218 176.9856 40 A 3.6396 7.7795 120.4305 55.0632 17.9662 179.1205 41 Y 4.3999 7.9603 115.5623 61.3888 37.8216 178.3774 42 L 3.9442 7.9052 120.2771 58.0794 42.2018 178.2971 43 T 4.1319 7.4244 105.7033 60.2527 69.2470 174.1011 44 A 3.8474 7.6465 123.0429 53.4222 16.8292 176.8818 45 D 4.7748 7.7277 118.8317 54.4390 42.3046 176.4467 46 F 4.2814 8.4288 129.6402 55.7066 38.0977 176.0012 47 F 4.0681 8.1365 123.8772 57.1782 40.2645 173.8565 48 P 3.8769 0.0000 0.0000 65.6198 30.4608 178.0849 49 L 4.1699 7.0498 119.9196 57.4496 42.3415 177.8001 50 H 4.7300 8.2761 115.1775 56.6847 29.6720 175.7653 51 T 4.4024 7.6349 106.2740 60.7856 69.2821 173.2307 52 D 4.7598 8.2233 122.0932 52.0482 41.9386 175.8979 53 V 3.7443 8.7318 126.6441 66.2742 31.2267 177.4007 54 E 4.0749 8.2813 116.4046 59.3067 29.8098 178.6541 55 F 4.1656 8.9685 120.7017 61.3108 39.5371 176.8723 56 A 4.2671 8.4579 120.4234 55.4123 17.8772 179.5976 57 K 4.4835 7.5239 116.2192 58.7784 32.2079 178.1187 58 K 4.2044 7.6313 115.4828 56.6804 32.1935 176.6349 59 T 4.3998 7.5439 110.9168 59.7207 70.5634 175.3836 60 I 3.7531 8.0538 120.7299 62.7381 37.9811 176.0912 61 F 4.6901 8.0342 117.2512 57.6762 40.2790 176.6778 62 G 4.4033 8.4972 113.6345 45.2938 0.0000 173.7007 63 K 5.0214 7.8374 116.6127 53.1565 34.9078 173.9857 64 P 4.7997 0.0000 0.0000 62.7136 32.1306 175.2806 65 I 4.7495 7.5410 111.7908 58.6392 40.6804 174.9028 66 A 4.1172 8.3779 124.8860 51.8164 19.1889 177.5937 67 Q 3.5891 8.1069 118.6679 54.5948 30.4295 178.9600 68 G 2.7897 7.8770 111.1451 45.3982 0.0000 175.3792 *70 L 3.2562 8.1477 122.3764 54.2945 43.8137 178.8085 71 V 3.4891 7.3530 117.6401 65.7777 31.2154 177.7294 72 L 3.9266 8.0232 120.0501 58.2101 41.9416 179.0886 73 S 4.0944 7.8855 114.5066 61.8360 62.6603 176.6558 74 I 3.6595 7.8251 121.1491 64.1541 36.8252 178.1181 75 A 4.0734 7.8622 120.8342 55.2854 18.5780 179.1919 76 L 4.0204 8.1812 117.4664 57.7213 41.6060 180.6081 77 G 3.7728 7.9721 102.1652 45.5220 0.0000 175.2666 *79 V 3.9834 7.7244 122.3441 62.5636 33.4300 177.1519 80 D 4.2501 8.1029 118.6672 57.1389 40.7059 177.8074 81 Q 4.0482 8.0632 120.3911 59.1160 28.7085 178.7163 82 V 3.5982 7.3394 118.6489 65.9110 31.9245 177.8424 83 I 4.0378 7.6783 119.0808 64.5196 36.8529 178.0774 84 L 4.0685 8.2710 119.1494 57.3236 41.4780 178.8068 85 S 4.6551 7.4490 111.0633 58.2280 63.4213 174.2206 86 N 4.7267 8.0376 117.7846 52.9652 40.4451 173.6774 87 Y 4.9224 7.4073 113.6757 56.1046 42.3534 174.2911 88 D 4.5983 8.3594 121.9990 53.6653 40.9305 176.6675 89 V 3.9607 8.2739 120.1669 61.6365 31.4041 178.6847 90 S 4.2394 8.1850 117.3781 60.7055 63.0578 175.4594 91 S 4.1543 7.8010 115.0581 59.6493 63.3486 173.5392 92 V 4.0870 7.3326 121.4841 62.5093 30.1972 176.0600 93 I 4.0387 8.4248 128.2646 63.8075 37.4296 176.2255 94 A 4.6222 7.6854 120.9844 50.7914 22.8953 174.7869 95 F 4.8217 8.7889 122.2420 57.6044 39.1651 175.3874 96 F 4.0803 9.5828 129.5231 59.4349 39.4658 175.3484 97 G 3.8918 7.5912 103.5399 46.0389 0.0000 171.2507 98 I 4.8448 8.2523 120.3268 59.4982 38.3333 175.9405 99 K 4.2367 9.1865 130.3919 58.9426 32.9539 176.7306 100 D 4.8075 7.8757 117.6011 52.8982 45.0079 174.4339 101 V 4.7262 8.1284 123.9413 61.5861 34.7282 173.8138 102 R 4.3210 8.9008 127.2585 54.3744 33.1257 174.9653 103 F 4.4820 8.5435 123.5271 56.6988 38.5347 176.0364 104 L 4.2642 8.9166 124.1085 56.9346 41.6751 177.5783 105 R 4.7516 7.6996 116.8200 53.4240 33.1321 172.9449 106 P 4.3508 0.0000 0.0000 62.5247 32.7686 175.3901 107 V 4.3098 7.7738 120.9932 61.3640 33.5517 174.8789 108 F 4.9652 9.4994 127.1895 56.1332 40.5084 177.1261 109 I 3.7218 8.9113 121.6381 63.9921 36.9704 177.1262 110 G 4.0747 7.9657 106.0286 45.0662 0.0000 173.2410 111 D 4.9994 8.3424 120.9794 54.1667 42.0191 175.7321 112 T 4.9526 8.5317 118.2436 62.0097 70.8306 173.2649 113 I 4.5825 8.2666 120.2876 59.6076 40.2728 174.7276 114 A 4.9598 8.8342 124.6634 50.2773 22.4354 174.9238 115 A 5.4123 8.6691 123.1672 50.2014 22.7294 175.2420 116 S 5.1828 9.1242 113.3112 56.6756 67.0894 172.8044 117 A 5.3432 9.0416 122.9750 50.2654 22.4545 174.5895 118 E 5.0726 9.0222 121.7319 54.1018 33.5086 174.8950 119 V 3.6514 8.7615 127.4230 63.1484 31.9981 176.3868 120 V 4.3466 8.5058 120.4247 61.1847 33.7976 175.2574 121 E 4.7195 7.5116 119.7487 55.0952 33.0164 173.7800 122 K 5.1804 8.3735 123.0829 54.9833 36.4139 175.5157 123 Q 4.5801 9.3060 125.0251 54.1697 32.4890 173.7387 124 D 4.5472 9.0510 125.9747 54.9087 41.7186 174.5046 125 F 4.6266 8.6166 123.8097 59.2149 41.7017 174.2445 126 D 4.5167 7.8987 117.4736 52.2867 41.7589 175.0708 127 E 4.2077 8.7247 115.8893 58.2988 29.7860 177.2440 128 K 4.5186 8.2093 118.3070 56.1256 33.7883 175.0929 129 S 4.8181 7.5923 111.6041 57.7569 66.7022 174.1894 130 G 2.9674 7.9713 106.5196 44.2103 0.0000 171.6706 131 V 4.6586 8.2754 114.2236 59.4807 33.8866 175.2644 132 V 4.7595 8.7199 125.0653 61.4274 34.1390 174.2106 133 T 4.9424 8.7630 124.2976 62.0165 71.0475 172.9839 134 Y 4.9175 9.0821 124.1969 55.9181 41.7418 174.4781 135 K 4.8586 9.1851 124.2353 54.8863 34.2075 174.5918 136 L 5.3024 9.7440 131.1548 53.8281 44.2657 174.9244 137 E 5.0736 9.3624 124.9374 54.6040 33.7185 174.5384 138 V 4.9437 8.8617 124.4871 60.8130 34.5719 174.2315 139 K 5.7956 9.2886 127.0812 54.1023 35.8909 176.4484 140 N 4.9708 8.6400 120.9841 51.8646 38.8912 175.2412 141 Q 4.0748 8.2786 114.9468 58.7972 28.3088 177.8728 142 R 4.6638 8.2744 115.3421 55.7973 29.9127 178.5389 143 G 4.0056 8.1293 107.5186 46.9076 0.0000 175.0367 144 E 3.9635 7.7245 119.9941 56.2336 29.9463 176.1107 145 L 4.6551 8.3554 124.9390 54.6308 42.1075 176.3432 146 V 4.2053 8.8329 121.3932 63.1395 33.2463 176.2058 147 L 5.1606 7.6073 120.3018 53.9579 45.8099 174.5086 148 T 5.1999 8.5799 118.0005 60.7911 71.0904 172.2555 149 A 5.7101 8.8680 127.2654 51.8973 23.6693 174.7407 150 L 5.6351 8.5605 120.7982 53.5156 44.9451 174.8663 151 Y 5.6667 9.0045 123.8768 55.4668 42.3060 174.2946 152 S 5.3702 9.5590 113.9089 56.7956 66.9424 172.6153 153 A 5.3004 9.1634 122.9851 50.1936 22.7967 174.8245 154 L 4.6345 8.6879 123.2180 53.6897 43.5460 175.3571 155 I 4.9621 8.3261 120.3877 58.6078 40.7397 175.2000 156 R 4.6010 9.0444 125.6554 56.8705 31.1081 175.6427 157 K 5.2287 9.3443 125.4928 54.4078 33.9951 176.8724 158 T 2.6490 8.3458 119.8527 63.4560 68.7062 172.8036 159 P 4.4203 0.0000 0.0000 62.7181 31.5563 175.0426 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 11 N 8.27 4.95 0.00 2.87 3.11 0.00 0.00 5.88 6.88 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 12 P 0.00 4.82 0.00 1.77 2.01 0.00 3.39 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 13 I 8.58 4.23 1.58 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 0.20 0.00 0.00 14 Y 8.19 4.69 0.00 3.13 3.08 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 0.00 0.00 0.00 15 F 9.60 4.27 0.00 3.19 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 16 E 8.32 3.84 0.00 2.13 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 2.43 2.29 0.00 17 S 8.06 4.10 0.00 3.99 3.94 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 18 I 7.23 4.02 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.79 0.00 0.00 19 Q 9.47 4.49 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 20 I 8.21 3.76 1.79 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 1.20 0.40 0.91 0.00 0.00 21 G 8.65 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 0.00 0.00 0.00 22 E 8.08 4.16 0.00 1.96 1.92 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 2.32 2.52 0.00 23 K 8.66 5.11 0.00 1.74 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.66 7.81 24 I 9.21 4.53 1.91 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 1.19 0.66 0.93 0.00 0.00 25 E 8.83 4.75 0.00 1.95 1.86 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 2.21 2.36 0.00 26 G 8.72 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 0.00 0.00 0.00 27 L 8.26 4.37 0.00 1.61 1.58 0.92 0.94 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 28 P 0.00 4.84 0.00 1.98 1.97 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.43 4.70 0.00 1.82 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.48 4.75 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 1.30 0.00 0.00 31 V 8.55 3.95 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 0.72 0.00 0.00 0.89 0.00 0.00 32 T 8.87 4.83 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 1.29 0.00 0.00 33 E 8.84 4.09 0.00 2.05 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 0.00 2.00 2.12 0.00 34 T 8.00 3.95 4.27 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 1.26 0.00 0.00 35 D 8.02 4.38 0.00 2.98 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 36 I 7.89 3.76 2.30 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 1.88 1.00 0.67 0.00 0.00 37 W 8.92 3.28 0.00 3.36 2.64 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 38 T 8.24 3.81 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 1.28 0.00 0.00 39 F 8.22 3.90 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 3.64 0.11 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 41 Y 7.96 4.40 0.00 3.12 2.93 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 42 L 7.91 3.94 0.00 1.62 1.61 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.42 4.13 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 0.33 0.00 0.00 44 A 7.65 3.85 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 D 7.73 4.77 0.00 2.66 2.45 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 46 F 8.43 4.28 0.00 2.97 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 47 F 8.14 4.07 0.00 3.26 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 48 P 0.00 3.88 0.00 0.49 1.62 0.00 2.33 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.79 0.00 49 L 7.05 4.17 0.00 1.88 1.70 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.28 4.73 0.00 3.03 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.63 4.40 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 -0.29 0.00 0.00 52 D 8.22 4.76 0.00 2.62 2.72 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 0.00 0.00 0.00 53 V 8.73 3.74 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.28 4.07 0.00 2.14 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 0.00 2.36 2.46 0.00 55 F 8.97 4.17 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 56 A 8.46 4.27 1.57 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 0.00 0.00 57 K 7.52 4.48 0.00 1.97 1.91 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 58 K 7.63 4.20 0.00 1.51 1.69 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.29 7.81 59 T 7.54 4.40 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 1.25 0.00 0.00 60 I 8.05 3.75 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.09 0.00 0.00 61 F 8.03 4.69 0.00 3.25 3.32 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 62 G 8.50 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 0.00 0.00 0.00 0.00 63 K 7.84 5.02 0.00 1.98 1.89 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.16 7.81 64 P 0.00 4.80 0.00 2.32 2.20 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 65 I 7.54 4.75 1.45 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.45 0.18 0.00 0.00 66 A 8.38 4.12 1.11 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 67 Q 8.11 3.59 0.00 1.44 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.16 0.00 0.00 0.00 0.00 0.00 2.22 1.51 0.00 68 G 7.88 2.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 L 8.15 3.26 0.00 0.48 1.35 0.73 0.70 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 71 V 7.35 3.49 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 0.91 0.00 0.00 0.86 0.00 0.00 72 L 8.02 3.93 0.00 1.98 1.66 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.89 4.09 0.00 4.00 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 74 I 7.83 3.66 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.88 0.00 0.00 75 A 7.86 4.07 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 76 L 8.18 4.02 0.00 1.56 1.47 0.87 0.45 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 77 G 7.97 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 0.00 0.00 0.00 *79 V 7.72 3.98 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 0.91 0.00 0.00 0.97 0.00 0.00 80 D 8.10 4.25 0.00 2.82 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 81 Q 8.06 4.05 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.34 3.60 2.24 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 0.90 0.00 0.00 0.98 0.00 0.00 83 I 7.68 4.04 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.79 1.00 0.00 0.00 84 L 8.27 4.07 0.00 1.83 1.74 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.45 4.66 0.00 3.95 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 86 N 8.04 4.73 0.00 2.38 1.99 0.00 0.00 6.65 6.74 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 87 Y 7.41 4.92 0.00 2.90 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 88 D 8.36 4.60 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 89 V 8.27 3.96 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 0.89 0.00 0.00 0.93 0.00 0.00 90 S 8.18 4.24 0.00 3.99 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 91 S 7.80 4.15 0.00 3.82 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 92 V 7.33 4.09 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 0.73 0.00 0.00 0.89 0.00 0.00 93 I 8.42 4.04 2.03 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 1.18 0.85 0.94 0.00 0.00 94 A 7.69 4.62 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 95 F 8.79 4.82 0.00 3.02 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 96 F 9.58 4.08 0.00 3.18 3.25 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 0.00 97 G 7.59 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.25 4.84 1.83 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 1.26 0.45 0.95 0.00 0.00 99 K 9.19 4.24 0.00 1.81 1.99 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.45 7.81 100 D 7.88 4.81 0.00 2.71 2.43 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 0.00 101 V 8.13 4.73 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 0.20 0.00 0.00 0.87 0.00 0.00 102 R 8.90 4.32 0.00 1.62 1.71 0.00 3.13 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 1.46 1.49 0.00 103 F 8.54 4.48 0.00 2.95 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 0.00 104 L 8.92 4.26 0.00 1.82 1.75 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.70 4.75 0.00 1.74 1.79 0.00 3.35 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 106 P 0.00 4.35 0.00 1.37 1.78 0.00 3.88 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 1.92 2.26 0.00 107 V 7.77 4.31 1.93 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 1.04 0.00 0.00 0.86 0.00 0.00 108 F 9.50 4.97 0.00 3.29 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 0.00 109 I 8.91 3.72 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.96 0.00 0.00 110 G 7.97 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.34 5.00 0.00 2.77 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 0.00 112 T 8.53 4.95 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 0.00 113 I 8.27 4.58 1.86 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 1.28 0.74 0.90 0.00 0.00 114 A 8.83 4.96 1.22 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 0.00 115 A 8.67 5.41 1.22 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 0.00 116 S 9.12 5.18 0.00 3.87 4.07 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 0.00 0.00 0.00 0.00 117 A 9.04 5.34 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 0.00 118 E 9.02 5.07 0.00 2.05 1.76 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 2.16 2.22 0.00 119 V 8.76 3.65 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 0.51 0.00 0.00 0.72 0.00 0.00 120 V 8.51 4.35 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 0.68 0.00 0.00 0.88 0.00 0.00 121 E 7.51 4.72 0.00 1.94 1.64 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 2.25 2.30 0.00 122 K 8.37 5.18 0.00 1.54 1.61 0.00 1.56 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.25 7.81 123 Q 9.31 4.58 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 124 D 9.05 4.55 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.62 4.63 0.00 2.66 2.96 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 0.00 0.00 0.00 126 D 7.90 4.52 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.72 4.21 0.00 2.09 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 0.00 2.28 2.27 0.00 128 K 8.21 4.52 0.00 2.02 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.59 4.82 0.00 3.91 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 0.00 130 G 7.97 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 0.00 0.00 0.00 131 V 8.28 4.66 1.71 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 -0.34 0.00 0.00 0.77 0.00 0.00 132 V 8.72 4.76 2.13 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 0.42 0.00 0.00 1.07 0.00 0.00 133 T 8.76 4.94 4.12 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 1.21 0.00 0.00 134 Y 9.08 4.92 0.00 1.53 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 0.00 135 K 9.19 4.86 0.00 1.76 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.74 5.30 0.00 1.99 1.76 1.07 0.71 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 0.00 137 E 9.36 5.07 0.00 1.91 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 0.00 2.23 2.24 0.00 138 V 8.86 4.94 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 1.13 0.00 0.00 0.93 0.00 0.00 139 K 9.29 5.80 0.00 1.90 1.86 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.20 7.81 140 N 8.64 4.97 0.00 3.01 3.06 0.00 0.00 5.99 7.08 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 0.00 141 Q 8.28 4.07 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 142 R 8.27 4.66 0.00 2.04 2.18 0.00 2.93 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 143 G 8.13 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 0.00 144 E 7.72 3.96 0.00 2.19 1.92 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 2.36 2.45 0.00 145 L 8.36 4.66 0.00 1.60 1.62 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.83 4.21 2.24 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 0.69 0.00 0.00 0.97 0.00 0.00 147 L 7.61 5.16 0.00 1.73 1.45 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.58 5.20 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 1.17 0.00 0.00 149 A 8.87 5.71 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 0.00 150 L 8.56 5.64 0.00 1.77 1.54 0.96 0.69 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 0.00 151 Y 9.00 5.67 0.00 3.56 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 0.00 152 S 9.56 5.37 0.00 3.97 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 0.00 153 A 9.16 5.30 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 0.00 154 L 8.69 4.63 0.00 1.63 1.52 0.26 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.33 4.96 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.98 0.97 0.00 0.00 156 R 9.04 4.60 0.00 2.07 1.95 0.00 3.22 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 157 K 9.34 5.23 0.00 1.65 1.99 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.81 1.29 7.81 158 T 8.35 2.65 4.06 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 0.80 0.00 0.00 159 P 0.00 4.42 0.00 2.14 2.00 0.00 3.23 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.