NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5299 8.4201 119.2046 53.0201 40.8453 173.9326 0 A 4.3439 7.7007 120.2477 48.8904 20.6144 173.1803 2 P 5.0853 0.0000 0.0000 60.9607 35.0894 172.4032 3 S 4.7386 8.3911 112.8903 56.4616 65.4427 173.4689 4 I 4.2791 8.1870 122.9383 59.6530 38.2982 174.9350 5 R 4.4891 8.4831 125.9459 54.4971 31.4943 174.2504 6 Y 4.6532 8.4106 126.2623 55.1124 40.3814 173.3742 7 P 4.2497 0.0000 0.0000 62.2751 32.8788 174.6839 8 S 4.6248 8.6821 113.2046 57.3247 66.2208 175.2700 9 T 3.9054 8.6542 116.7940 66.9280 68.1071 175.9103 10 E 4.1500 8.2321 118.8197 58.1037 30.1231 176.8638 11 F 4.7482 8.3644 118.0197 54.6546 39.1200 172.7033 12 P 5.1574 0.0000 0.0000 60.9189 32.5004 177.0356 13 A 4.0881 8.1383 121.8853 52.0719 18.8512 177.4896 14 L 4.4987 8.2562 119.5839 54.5137 42.4908 177.5808 15 T 4.0248 8.8471 119.8756 64.2156 69.0549 174.5646 16 G 4.1702 8.8007 112.9970 46.0774 0.0000 172.1837 17 F 5.5773 7.6268 113.3238 56.1744 40.9974 173.6610 18 T 4.5111 9.0977 116.3018 61.7529 72.4868 173.1900 19 V 4.5823 7.8168 124.5337 60.3027 34.0385 173.3266 20 P 4.5723 0.0000 0.0000 62.1844 32.3759 175.3941 21 I 4.5940 7.8143 112.4612 58.1573 40.7130 173.5304 22 P 4.4942 0.0000 0.0000 62.3502 31.7688 177.5001 23 E 4.0949 8.6938 118.3470 58.9681 29.9371 177.8166 24 T 4.3076 8.1253 108.8499 62.1667 69.4490 173.6750 25 W 5.3414 8.3632 122.4583 55.2920 32.2375 175.0866 26 Q 4.7736 9.1734 118.7025 53.8601 31.6800 172.9093 27 P 4.8209 0.0000 0.0000 63.0950 32.4000 175.8810 28 D 4.8573 8.8112 123.3119 51.6846 41.5312 173.8073 29 P 4.4046 0.0000 0.0000 64.1698 32.3763 177.7658 30 T 4.1321 7.8251 112.5878 60.4979 67.2692 175.1483 *32 G 3.8589 7.7090 108.0026 45.6283 0.0000 170.4438 33 T 4.7554 7.4962 108.3591 59.0805 71.5621 174.1057 34 Q 4.3060 8.7224 120.5107 58.5346 29.4316 176.7748 35 F 5.1850 8.6283 120.2534 56.6682 43.3950 173.3124 36 A 4.5736 7.8233 124.5812 50.8261 22.6563 174.7284 37 A 5.1737 8.6246 121.3927 50.8649 23.3935 175.3415 38 R 4.4031 8.8814 114.6883 53.7846 33.3547 173.1622 39 P 3.7785 0.0000 0.0000 62.1838 31.9840 176.4888 40 H 4.1265 9.0427 121.9632 58.8279 29.8408 175.5087 41 T 4.3621 7.5026 115.9984 60.8424 69.4306 171.6411 42 P 4.5713 0.0000 0.0000 60.5462 32.6915 174.4049 43 P 4.4926 0.0000 0.0000 62.4035 31.7435 175.9119 44 Q 4.0808 8.2899 117.0922 56.8876 28.7755 174.0484 45 G 3.8047 8.1074 109.0746 46.3607 0.0000 173.5156 46 F 3.9065 8.0716 121.3275 57.4146 40.5763 175.2650 47 T 4.1242 7.4236 124.8926 61.4756 68.3921 173.0287 48 P 4.8884 0.0000 0.0000 63.2653 32.0721 175.3077 49 N 5.2940 9.0157 117.1929 52.2129 41.1738 172.9136 50 I 5.0883 8.9403 119.8029 59.2223 41.5994 174.0854 51 I 5.0102 9.0332 121.4259 59.1172 41.6253 174.2711 52 G 4.7266 9.3564 110.3546 45.0675 0.0000 171.6940 53 T 5.5081 8.8360 119.8222 61.5709 73.2683 173.2534 54 V 5.0679 9.3373 124.0239 60.0088 34.0846 175.0504 55 R 4.8018 8.8896 119.7844 54.2382 33.3014 174.1531 56 R 4.7362 8.6204 120.6300 56.4208 31.1243 175.0237 57 A 4.7989 9.0099 126.1360 50.4045 23.5295 175.1468 58 A 4.4784 8.5254 120.3146 51.4888 20.0941 177.3999 59 T 3.7367 8.4465 115.3514 65.8658 69.0641 174.7700 60 G 3.9193 9.0546 112.9525 45.6592 0.0000 174.8924 61 A 4.0021 7.8602 123.1639 54.7035 18.1857 180.0635 62 L 3.8375 8.4318 119.1204 58.5322 42.1933 178.6255 63 H 3.9992 8.1569 117.6099 59.3785 29.7894 176.6490 64 N 4.2034 8.1636 118.1625 56.4845 38.3055 177.2101 65 Q 3.9048 8.4887 121.2274 59.0425 29.1030 178.3993 66 R 3.5965 7.9192 119.3059 59.3610 30.0070 179.1083 67 T 3.7595 7.6050 115.4009 66.7738 68.4842 176.6719 68 E 3.9793 8.2814 120.4389 59.1180 29.4001 179.4738 69 L 3.9345 8.2041 119.6709 57.7378 41.5642 179.0446 70 D 4.2398 8.0335 118.8760 57.4094 40.5126 178.7939 71 Q 3.8368 7.7605 118.9609 59.0829 29.2627 177.6229 72 R 3.8571 7.9392 119.5297 59.2917 29.9711 178.2438 73 A 3.2330 7.6542 120.7395 54.9266 18.1699 179.4770 74 T 3.7734 7.0203 106.4288 63.7936 68.7288 174.3848 75 Q 4.3169 7.4952 119.7899 57.3490 30.2368 176.6097 76 L 3.9170 7.2934 118.4338 54.2934 42.2768 175.1201 77 P 4.3872 0.0000 0.0000 64.0276 31.8361 176.1192 78 D 4.5537 8.9250 121.1263 54.9506 38.4824 173.3074 79 Y 4.5634 7.7169 118.9230 58.5098 39.5278 175.4839 80 A 4.4681 8.4583 127.3782 50.1596 22.6278 174.0413 81 E 4.7224 8.5303 123.7394 54.5636 30.9439 175.9787 82 R 4.0848 9.2407 127.3371 58.1520 30.8988 177.1687 83 G 4.3033 7.6245 105.4250 46.2881 0.0000 172.0289 84 R 5.2329 8.2421 115.6411 55.2035 32.7250 174.0919 85 T 4.4751 8.0269 112.3565 61.2123 71.3083 172.5631 86 E 4.7767 9.0229 126.3523 57.5384 30.8224 175.9419 87 T 4.6449 8.4917 115.5301 62.0107 71.3300 171.7787 88 T 5.2105 8.4073 110.5119 60.0617 72.3094 173.7761 89 V 4.2723 8.4350 122.0828 62.1766 33.6563 175.2600 90 D 4.4757 10.0713 127.7762 55.3065 38.3622 175.0308 91 G 3.7837 8.4806 107.2810 45.2084 0.0000 174.4697 92 F 4.6268 7.8893 119.0518 55.6623 40.2776 173.3537 93 P 4.8153 0.0000 0.0000 63.5956 32.5016 175.1092 94 A 5.1824 8.8314 123.6178 51.4776 23.6611 174.1267 95 Y 5.4005 9.0907 119.1384 56.7055 42.9544 173.1756 96 H 5.2677 8.5828 124.7976 54.4434 33.4724 171.8175 97 I 5.0735 8.2821 124.3765 59.5695 41.5101 173.7487 98 E 5.1803 9.1448 127.2624 54.9371 33.3776 174.4902 99 Y 5.2850 8.5568 120.7107 56.4534 42.2081 172.8779 100 A 5.2947 9.1043 120.5303 51.2022 23.3368 174.4840 101 Y 5.3477 8.5175 116.2299 56.2970 42.1776 173.3052 102 R 4.7566 9.3078 121.3848 55.3918 31.3176 174.6870 103 H 4.8589 9.3742 127.1387 55.4063 31.7323 174.3147 104 H 4.1498 9.6889 120.9342 56.1598 26.2427 175.0359 105 G 4.0726 8.4706 104.7217 46.3779 0.0000 174.7221 106 T 4.5698 8.2246 108.7143 60.9908 70.8104 173.9426 107 I 4.6512 7.3625 121.1503 59.5433 41.9606 173.6703 108 T 4.6565 8.3803 124.8049 62.5881 70.4819 173.4530 109 I 4.4008 8.2286 126.9840 59.2322 39.8997 174.2459 110 A 5.0173 8.8434 129.3847 50.5515 21.4925 175.5132 111 Q 5.5472 8.5178 121.6146 53.2383 33.4838 173.6764 *113 I 4.4708 8.1591 118.6255 62.3104 39.0278 174.9501 114 T 5.0777 8.8746 123.1054 61.7301 71.5814 172.9318 115 L 5.2714 9.2155 126.3872 52.9520 44.8569 175.6522 116 V 4.7475 8.7885 122.6547 61.0528 34.9244 173.5352 117 E 5.0085 9.2740 129.5201 54.6388 31.1514 174.9141 118 V 4.0846 8.3897 127.9795 61.2162 33.3931 174.7551 119 S 4.7654 8.7422 124.2638 58.3010 63.7762 173.5638 120 H 4.8884 8.9033 121.2258 53.1400 31.1627 173.9341 121 P 4.1243 0.0000 0.0000 65.4826 31.0190 177.2590 122 H 4.8285 7.8236 110.5004 55.0990 30.7002 172.2472 123 A 4.6128 7.3275 120.2312 51.6799 22.8053 175.2547 124 V 4.9491 8.7117 108.6522 60.3759 36.8997 174.3253 125 D 5.4274 9.2090 121.6581 52.8504 43.6639 175.7665 126 I 4.7683 8.6286 123.5854 59.7358 39.6985 174.6115 127 I 4.5150 8.6984 129.4001 59.9295 38.8036 174.5789 128 Q 4.8611 8.9698 129.3901 54.1011 31.6308 173.6340 129 L 5.0293 8.8981 129.4178 53.6414 44.4764 175.0117 130 T 4.8585 9.1525 122.9059 61.7981 72.0602 172.6613 131 A 4.8287 8.3699 128.1685 50.3837 21.7612 175.4229 132 T 5.3578 8.6984 117.7245 62.1532 73.2005 173.0080 133 C 5.2511 9.2836 119.1676 56.6622 34.1071 173.1414 134 A 4.2981 9.3852 122.1905 51.1141 18.5677 178.8016 135 G 3.5510 8.6773 109.8884 48.8174 0.0000 175.2531 136 D 4.6727 7.9794 115.8917 53.7678 39.7219 176.4301 137 Q 4.6821 8.1354 119.0592 56.1732 30.1178 177.6407 138 T 4.0069 7.7094 108.4063 64.4853 68.9913 176.5456 139 A 3.9637 8.0203 124.0004 54.9540 18.5166 178.0763 140 D 4.4171 8.0250 113.9434 56.0180 41.4305 176.6573 141 Y 4.4103 7.5443 114.4689 57.1813 40.4141 177.6610 142 W 3.9066 8.6139 130.1439 60.4697 30.7063 177.6576 143 D 4.4030 8.1379 118.4618 57.5459 40.0665 178.7211 144 T 3.8364 7.6860 115.0591 66.5331 68.6005 176.1785 145 F 4.4439 8.0208 118.7954 60.6742 39.1971 177.4598 146 R 4.0402 8.1622 117.9461 59.2028 29.9684 180.1376 147 L 4.1806 7.7565 116.0171 55.6526 41.4036 178.8054 *149 H 4.5193 8.2374 118.3934 55.8219 30.6418 175.7213 150 A 4.0663 8.5239 121.6284 54.5221 18.2364 177.7586 151 D 4.7783 7.6223 112.6078 53.6722 41.3849 176.1955 152 L 4.2812 7.2568 121.1489 56.0991 42.4001 176.4967 153 T 4.9425 8.9516 115.1362 59.8818 72.4941 172.6784 154 V 4.7268 9.1934 123.0005 61.4882 33.9813 175.6573 155 Q 4.6874 8.9874 127.1110 53.0501 29.3480 173.0562 156 P 4.4183 0.0000 0.0000 62.3247 32.7987 175.9371 157 H 4.8785 7.9416 116.9770 59.2894 30.0457 174.0835 158 G 4.2818 7.5048 113.7987 44.7410 0.0000 175.4648 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 -1 N 8.42 4.53 0.00 2.68 2.91 0.00 0.00 6.93 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 0 A 7.70 4.34 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 2 P 0.00 5.09 0.00 2.14 2.00 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 3 S 8.39 4.74 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.19 4.28 1.74 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 1.26 0.86 0.67 0.00 0.00 5 R 8.48 4.49 0.00 1.75 1.81 0.00 3.20 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 6 Y 8.41 4.65 0.00 2.85 2.83 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 0.00 0.00 0.00 0.00 7 P 0.00 4.25 0.00 1.95 1.29 0.00 3.57 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 8 S 8.68 4.62 0.00 4.04 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 0.00 9 T 8.65 3.91 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 1.23 0.00 0.00 10 E 8.23 4.15 0.00 2.09 1.74 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 2.34 2.32 0.00 11 F 8.36 4.75 0.00 3.16 3.16 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 12 P 0.00 5.16 0.00 2.06 2.02 0.00 3.35 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 13 A 8.14 4.09 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 14 L 8.26 4.50 0.00 1.76 1.72 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.85 4.02 4.24 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 1.15 0.00 0.00 16 G 8.80 4.17 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 0.00 17 F 7.63 5.58 0.00 3.07 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 18 T 9.10 4.51 4.18 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 1.12 0.00 0.00 19 V 7.82 4.58 0.91 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 0.68 0.00 0.00 0.52 0.00 0.00 20 P 0.00 4.57 0.00 2.18 1.99 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 21 I 7.81 4.59 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 1.16 0.00 0.00 22 P 0.00 4.49 0.00 2.38 2.05 0.00 3.20 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 23 E 8.69 4.09 0.00 2.12 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 0.00 2.33 2.35 0.00 24 T 8.13 4.31 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 1.30 0.00 0.00 25 W 8.36 5.34 0.00 3.35 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 26 Q 9.17 4.77 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 27 P 0.00 4.82 0.00 2.01 2.12 0.00 3.68 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 2.10 2.22 0.00 28 D 8.81 4.86 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.22 2.17 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 30 T 7.83 4.13 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 1.20 0.00 0.00 *32 G 7.71 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 33 T 7.50 4.76 4.47 0.00 0.00 0.00 0.00 0.00 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 34 Q 8.72 4.31 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 35 F 8.63 5.19 0.00 3.18 3.23 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 0.00 36 A 7.82 4.57 1.08 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 0.00 0.00 37 A 8.62 5.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.88 4.40 0.00 1.52 1.80 0.00 2.62 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 39 P 0.00 3.78 0.00 1.74 1.61 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 40 H 9.04 4.13 0.00 3.05 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.50 4.36 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 1.21 0.00 0.00 42 P 0.00 4.57 0.00 2.06 1.85 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 43 P 0.00 4.49 0.00 2.27 2.26 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 44 Q 8.29 4.08 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.91 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 45 G 8.11 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 46 F 8.07 3.91 0.00 3.00 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 47 T 7.42 4.12 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 0.97 0.00 0.00 48 P 0.00 4.89 0.00 1.70 1.93 0.00 3.40 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 2.02 0.00 49 N 9.02 5.29 0.00 2.91 2.81 0.00 0.00 6.41 6.94 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 50 I 8.94 5.09 1.75 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 1.44 1.65 1.02 0.00 0.00 51 I 9.03 5.01 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.19 0.87 0.00 0.00 52 G 9.36 4.73 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 53 T 8.84 5.51 4.24 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 1.28 0.00 0.00 54 V 9.34 5.07 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 1.04 0.00 0.00 1.06 0.00 0.00 55 R 8.89 4.80 0.00 1.86 2.02 0.00 2.77 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 56 R 8.62 4.74 0.00 1.87 1.86 0.00 3.31 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 57 A 9.01 4.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 4.48 1.25 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 0.00 0.00 59 T 8.45 3.74 4.24 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 1.21 0.00 0.00 60 G 9.05 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 0.00 0.00 0.00 61 A 7.86 4.00 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 62 L 8.43 3.84 0.00 1.84 1.74 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.16 4.00 0.00 3.25 3.43 0.00 5.93 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 64 N 8.16 4.20 0.00 2.93 2.82 0.00 0.00 6.71 7.28 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 65 Q 8.49 3.90 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 66 R 7.92 3.60 0.00 1.76 1.53 0.00 2.67 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 67 T 7.61 3.76 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 1.14 0.00 0.00 68 E 8.28 3.98 0.00 2.07 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 2.28 2.46 0.00 69 L 8.20 3.93 0.00 1.86 1.70 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.03 4.24 0.00 2.81 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 71 Q 7.76 3.84 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 72 R 7.94 3.86 0.00 1.94 1.96 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 73 A 7.65 3.23 0.35 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 74 T 7.02 3.77 4.17 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 1.15 0.00 0.00 75 Q 7.50 4.32 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 76 L 7.29 3.92 0.00 1.69 1.62 0.66 0.36 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 77 P 0.00 4.39 0.00 2.44 2.05 0.00 3.94 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 78 D 8.92 4.55 0.00 2.88 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 79 Y 7.72 4.56 0.00 3.16 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 80 A 8.46 4.47 1.08 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 0.00 0.00 81 E 8.53 4.72 0.00 1.96 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 2.35 2.58 0.00 82 R 9.24 4.08 0.00 1.92 2.02 0.00 3.55 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 83 G 7.62 4.30 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 0.00 84 R 8.24 5.23 0.00 1.73 1.92 0.00 3.20 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 85 T 8.03 4.48 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 1.20 0.00 0.00 86 E 9.02 4.78 0.00 1.98 1.97 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 2.48 2.46 0.00 87 T 8.49 4.64 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 1.25 0.00 0.00 88 T 8.41 5.21 4.30 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 1.23 0.00 0.00 89 V 8.43 4.27 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 1.12 0.00 0.00 0.96 0.00 0.00 90 D 10.07 4.48 0.00 3.06 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 91 G 8.48 3.78 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 0.00 0.00 0.00 92 F 7.89 4.63 0.00 3.25 3.14 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 93 P 0.00 4.82 0.00 2.14 2.04 0.00 4.03 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 94 A 8.83 5.18 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 95 Y 9.09 5.40 0.00 3.01 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 96 H 8.58 5.27 0.00 3.18 2.95 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.28 5.07 1.65 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 1.10 0.00 0.00 98 E 9.14 5.18 0.00 2.10 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 2.32 2.24 0.00 99 Y 8.56 5.28 0.00 2.84 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 0.00 100 A 9.10 5.29 1.09 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 0.00 101 Y 8.52 5.35 0.00 3.42 3.27 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 0.00 102 R 9.31 4.76 0.00 1.81 1.96 0.00 3.35 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 1.61 1.64 0.00 103 H 9.37 4.86 0.00 3.21 3.17 0.00 5.99 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 9.69 4.15 0.00 3.25 3.33 0.00 5.93 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 0.00 105 G 8.47 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.30 0.00 0.00 115 L 9.22 5.27 0.00 1.67 1.59 1.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.79 4.75 2.01 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 1.05 0.00 0.00 0.93 0.00 0.00 117 E 9.27 5.01 0.00 1.98 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 2.23 2.22 0.00 118 V 8.39 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 0.41 0.00 0.00 -0.01 0.00 0.00 119 S 8.74 4.77 0.00 3.83 3.78 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 0.00 120 H 8.90 4.89 0.00 3.31 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.12 0.00 1.79 1.95 0.00 3.63 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 1.99 2.08 0.00 122 H 7.82 4.83 0.00 2.99 3.18 0.00 5.74 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 0.00 123 A 7.33 4.61 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 0.00 0.00 0.00 0.00 0.00 124 V 8.71 4.95 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 0.76 0.00 0.00 1.04 0.00 0.00 125 D 9.21 5.43 0.00 2.48 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.63 4.77 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.03 0.93 0.00 0.00 127 I 8.70 4.51 1.70 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 0.99 0.50 0.33 0.00 0.00 128 Q 8.97 4.86 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 129 L 8.90 5.03 0.00 1.58 1.36 1.01 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 130 T 9.15 4.86 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 1.25 0.00 0.00 131 A 8.37 4.83 -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 0.00 132 T 8.70 5.36 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 133 C 9.28 5.25 0.00 3.21 3.26 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 0.00 134 A 9.39 4.30 1.18 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 0.00 0.00 135 G 8.68 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.67 0.00 2.79 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 0.00 137 Q 8.14 4.68 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 138 T 7.71 4.01 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 0.87 0.00 0.00 139 A 8.02 3.96 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 0.00 140 D 8.03 4.42 0.00 2.77 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 0.00 0.00 0.00 0.00 141 Y 7.54 4.41 0.00 2.87 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 0.00 0.00 0.00 0.00 142 W 8.61 3.91 0.00 3.51 3.09 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 0.00 143 D 8.14 4.40 0.00 2.72 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 0.00 144 T 7.69 3.84 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 1.03 0.00 0.00 145 F 8.02 4.44 0.00 2.57 2.51 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 0.00 0.00 0.00 146 R 8.16 4.04 0.00 1.97 1.95 0.00 3.35 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 147 L 7.76 4.18 0.00 1.78 1.63 0.89 0.89 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 *149 H 8.24 4.52 0.00 3.13 3.36 0.00 5.62 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 0.00 150 A 8.52 4.07 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 0.00 151 D 7.62 4.78 0.00 2.74 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 0.00 152 L 7.26 4.28 0.00 1.59 1.69 0.95 0.77 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 0.00 153 T 8.95 4.94 4.35 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 1.25 0.00 0.00 154 V 9.19 4.73 2.23 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 0.59 0.00 0.00 0.97 0.00 0.00 155 Q 8.99 4.69 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 156 P 0.00 4.42 0.00 2.13 2.03 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 157 H 7.94 4.88 0.00 3.15 3.31 0.00 5.72 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 0.00 158 G 7.50 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.