NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.6294 8.0976 119.6782 56.4896 32.0016 173.9484 5 S 5.2582 8.6503 116.3655 57.0909 66.1818 171.5961 6 L 5.0909 10.2185 121.4436 53.1554 46.1794 176.5462 7 N 5.4572 8.7898 119.8010 52.2431 40.5975 173.8673 8 C 5.2257 9.2742 117.8647 57.7751 33.7250 172.5921 9 T 5.2071 9.0608 109.7238 59.9453 71.8453 172.8331 10 L 5.3336 8.6394 121.0865 53.1266 44.8985 176.3192 11 R 5.1292 9.1423 121.7330 54.2440 34.4352 175.1087 12 D 4.5136 8.9053 122.7299 52.4405 41.0137 177.1482 13 S 4.1423 8.1822 112.6819 60.2506 62.9171 174.8210 14 Q 4.3951 8.0522 119.2701 55.4355 28.5371 175.2003 15 Q 3.5665 8.0399 115.2065 56.8065 26.9664 173.5350 16 K 4.3094 8.2834 117.8898 56.2431 33.3568 177.3384 17 S 4.9124 9.1670 121.4249 58.0166 65.1887 172.7801 18 L 5.2525 8.4131 120.7230 53.4172 43.9685 176.2513 19 V 4.7493 8.6436 115.7999 59.2973 36.3873 174.9073 20 M 4.3435 8.6995 122.6396 56.3316 32.3290 176.4969 21 S 4.3734 9.4874 119.2973 56.8593 63.4118 174.7741 22 G 3.9478 8.4303 115.6655 43.4292 0.0000 169.1852 23 P 4.1046 0.0000 0.0000 64.8950 31.7094 176.4468 24 Y 5.1620 7.5393 114.9076 57.4326 40.2049 174.7058 25 E 5.1807 8.2123 118.2502 54.8427 34.6532 174.2494 26 L 5.4010 8.5455 119.7258 53.1710 45.6535 175.6991 27 K 5.2868 9.3536 119.8987 54.6865 37.1545 174.8462 28 A 5.4925 8.7171 122.7347 50.3685 22.0628 175.3572 29 L 4.7870 8.7439 120.8345 54.8767 44.7802 174.3497 30 H 4.8114 9.8145 117.7984 55.5033 28.7247 175.2331 31 L 4.7635 8.4738 123.6432 52.8257 43.8886 176.0061 32 Q 4.5180 8.0738 122.5809 55.2532 33.1800 176.3298 33 G 3.8132 8.6091 109.3970 46.0535 0.0000 175.3680 34 Q 3.9766 8.7631 116.8116 59.7369 28.2784 178.3184 35 D 4.5783 8.0167 118.5439 55.9535 40.8155 177.9557 36 M 4.1276 8.2105 120.3541 58.0100 31.7061 177.9428 37 E 4.0525 7.9211 117.5563 58.4891 29.6208 178.6845 38 Q 4.0748 7.6481 118.2647 57.5127 29.0555 176.9314 39 Q 4.3481 7.4524 117.7786 55.3305 29.5483 175.9670 40 V 3.4146 8.3686 121.1927 63.0121 32.3116 175.2257 41 V 4.2738 7.9044 127.1183 61.1143 33.4163 174.4012 42 W 5.0951 9.0480 128.2214 55.5113 31.7296 175.4977 43 S 5.0579 9.1397 118.7488 57.0189 63.5982 172.8498 44 M 4.6692 9.0833 129.9835 54.7362 32.8745 174.9685 45 S 5.1955 8.8621 121.9256 57.0172 65.9840 173.5064 46 F 4.8635 8.9255 121.5402 56.6669 39.3813 175.5876 47 V 4.6046 8.1050 117.0605 59.1431 34.5494 175.8093 48 Q 4.2456 9.2095 121.0930 55.3568 29.1843 176.6669 49 G 4.2636 8.4326 111.4889 44.1391 0.0000 171.8775 50 E 4.0696 8.0625 120.9399 56.1778 30.1206 175.2416 51 E 4.9308 8.3046 124.0016 54.9930 33.1145 173.5204 52 S 4.6361 8.8665 115.8601 57.2575 65.9746 174.7695 53 N 4.3679 8.5147 113.7278 53.8775 37.5317 175.5653 *55 K 4.2392 7.9710 118.1408 56.6260 33.7892 174.6582 56 I 4.8086 8.4481 126.9782 58.6538 39.8736 173.7454 57 P 4.9995 0.0000 0.0000 62.6979 32.5374 176.0161 58 V 4.9711 9.2290 116.5927 59.7056 36.7292 173.9800 59 A 5.3752 8.9090 123.2928 50.2903 22.4789 175.6327 60 L 4.7365 8.8709 120.1626 53.0709 44.3491 175.5915 61 G 3.8353 8.6689 111.5625 43.4289 0.0000 171.3208 62 L 4.1501 8.2235 123.1837 54.0303 42.6955 176.9793 63 K 4.0765 8.6198 126.0036 57.7938 32.5391 176.0073 64 E 3.8727 8.9591 123.3341 56.9332 27.2147 174.1139 65 K 4.6086 7.7620 116.7781 54.6063 36.1213 176.4104 66 N 4.8735 8.3888 120.3577 52.3621 36.4327 174.8253 67 L 5.3851 7.2916 118.0293 54.1307 46.5756 176.8946 68 Y 5.2243 9.0684 120.6400 55.7843 41.8752 175.1010 69 L 5.0005 9.2253 123.9186 55.3905 42.9815 176.3654 70 S 4.9525 9.6131 116.7604 57.4509 67.0972 172.5137 71 C 5.3682 8.6052 119.0033 58.3375 29.9465 173.9902 72 V 4.7585 8.8323 116.3274 59.4187 36.4441 174.5452 73 L 4.5882 8.5741 122.3431 54.3614 42.6826 176.7731 74 K 4.3498 8.5104 124.2710 55.5879 34.5310 175.6839 75 D 4.3456 9.5238 126.3805 55.6961 38.2767 173.8092 76 D 4.5057 8.4870 113.8753 54.8835 38.6609 173.7452 77 K 4.5648 7.4555 117.6354 53.4539 36.2761 174.0277 78 P 3.8120 0.0000 0.0000 63.2595 31.5792 175.9643 79 T 4.6889 8.7677 120.6725 61.6516 73.0084 172.6305 80 L 5.0614 8.6816 127.7601 54.2985 43.3211 175.4373 81 Q 4.7851 9.2312 123.1172 54.8333 32.7631 173.3093 82 L 5.2393 8.6720 120.1281 53.5818 43.4868 175.9435 83 E 4.6515 9.3813 123.9568 54.2728 32.7717 175.0945 84 S 4.9379 8.7308 122.8905 58.8608 63.6953 173.7314 85 V 4.4495 8.1801 115.9569 58.9833 35.8434 175.0260 86 D 4.4675 8.5895 121.9301 53.6456 41.2249 175.3258 87 P 4.4502 0.0000 0.0000 64.8296 31.6035 177.1554 88 K 4.1783 8.4558 119.5046 57.8622 32.2834 176.6623 89 N 4.8224 8.2530 113.8899 53.2838 39.6714 174.0629 90 Y 4.6599 7.6510 114.9196 55.2670 41.6268 173.5167 91 P 4.7881 0.0000 0.0000 62.3945 32.3345 175.6886 92 K 4.6531 7.8779 117.6160 55.1622 35.8235 176.7217 93 K 4.1212 8.7079 119.4484 59.4349 32.2469 177.4851 94 K 4.5468 7.5316 119.3087 55.2759 30.5958 175.8387 95 M 4.3690 7.7576 121.0719 54.1782 33.4746 176.5307 96 E 4.1847 8.7862 120.8900 56.1439 30.5882 178.3067 97 K 3.8610 8.6007 123.1190 59.3082 32.6060 179.1287 98 R 3.6364 7.7247 114.8532 58.2516 29.2103 177.5956 99 F 4.8837 7.7011 114.8119 56.7195 39.8850 175.5258 100 V 4.4176 7.4519 122.5130 61.6779 32.9544 174.5886 101 F 5.2293 9.3853 126.3149 55.7067 42.6094 174.2439 102 N 4.9684 9.4824 121.3196 52.2035 39.6957 174.3894 103 K 4.3364 9.2430 127.6761 56.0281 33.5182 175.5318 104 I 4.7004 8.5087 128.9234 59.5189 40.0643 174.3961 105 E 4.9618 8.8155 127.0770 54.8580 30.8244 175.8550 106 I 4.4316 8.4270 118.5169 59.9899 40.3637 175.1604 107 N 4.2997 9.6004 123.7153 54.2302 35.7930 173.5845 108 N 4.2364 8.3675 107.9365 55.2942 36.6874 174.0998 109 K 4.8250 7.9468 115.9675 54.6839 37.1047 174.9046 110 L 5.1285 8.8400 120.5734 53.1350 44.6029 175.9428 111 E 5.2147 8.8303 121.7214 54.6041 33.5665 175.3617 112 F 5.1271 8.8813 120.4077 55.7843 41.8500 173.4075 113 E 4.3717 9.1437 126.1940 54.7876 30.9645 175.5393 114 S 4.1089 8.9796 122.7109 58.7169 62.2369 174.0817 115 A 4.0463 8.4325 129.8685 54.8745 18.1580 178.5824 116 Q 3.6731 7.8162 115.3797 57.9316 29.6632 175.6986 117 F 4.8068 7.7018 116.2887 53.8639 39.7638 171.2525 118 P 4.4806 0.0000 0.0000 64.3522 31.7323 175.8587 119 N 4.0923 9.4526 117.9960 54.0947 37.0299 173.5932 120 F 4.7657 7.8849 116.9324 56.3562 40.9569 174.6613 121 Y 5.3285 8.8960 120.4894 55.7566 41.9915 175.1365 122 I 4.1932 8.9099 124.1376 62.2424 37.6297 175.8054 123 S 5.0845 9.1829 122.5003 56.9055 67.5199 173.0547 124 T 5.0691 8.6149 111.5400 60.0874 72.1516 173.6518 125 S 4.9823 8.7581 118.2394 57.6942 64.3115 174.8294 126 Q 4.0898 8.6404 121.0668 58.8177 28.7749 177.5697 127 A 4.1633 7.7726 119.5366 51.5248 19.0745 176.6449 128 E 4.0121 8.6007 122.4164 57.3390 30.2960 175.9781 129 N 4.2704 8.5765 122.7039 55.2436 38.1127 173.5403 130 M 4.7835 7.6841 114.1708 52.4284 35.2868 174.2682 131 P 4.9772 0.0000 0.0000 62.8215 32.3628 176.4359 132 V 4.3295 8.5412 123.7710 63.0299 32.4011 175.0321 133 F 5.1547 8.9902 121.5581 55.6672 42.2903 172.6502 134 L 5.1085 8.8866 118.7472 52.5869 42.5904 176.3554 135 G 4.2442 9.0998 111.9911 46.3479 0.0000 174.3878 *140 G 4.0104 8.7020 114.0790 45.0006 0.0000 171.8442 141 Q 4.0994 9.0258 123.9449 59.1859 28.8739 177.3790 142 D 4.6892 7.9407 114.9226 54.3012 41.7717 175.1520 143 I 4.5257 8.8255 121.8391 59.8272 39.2861 176.3951 144 T 4.9423 8.4432 114.4464 61.1647 70.3430 172.9238 145 D 5.2457 7.6695 122.4229 52.8874 43.6894 175.1613 146 F 5.4008 9.4374 121.1089 55.9016 43.7248 173.8342 147 T 4.9861 9.1680 110.6060 60.2391 71.9156 172.4381 148 M 5.0816 8.6011 122.1204 53.9407 34.7519 174.6924 149 Q 4.7506 8.8132 124.5249 54.0633 31.8129 175.0555 150 F 4.9030 9.1348 122.8677 57.4301 39.9706 175.3042 151 V 4.6299 8.2556 114.4490 59.2339 35.3400 175.9280 152 S 4.2925 8.6299 115.9230 58.7453 62.3139 173.9508 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 4 R 8.10 4.63 0.00 1.94 1.98 0.00 3.03 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 5 S 8.65 5.26 0.00 4.08 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 6 L 10.22 5.09 0.00 1.76 1.81 1.38 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.79 5.46 0.00 2.87 2.78 0.00 0.00 6.61 7.66 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 8 C 9.27 5.23 0.00 2.85 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 9 T 9.06 5.21 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 1.29 0.00 0.00 10 L 8.64 5.33 0.00 1.45 1.52 -0.26 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.14 5.13 0.00 1.76 1.80 0.00 3.32 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 12 D 8.91 4.51 0.00 2.23 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 13 S 8.18 4.14 0.00 3.94 3.97 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 14 Q 8.05 4.40 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 15 Q 8.04 3.57 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 16 K 8.28 4.31 0.00 1.98 1.68 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.97 1.34 7.81 17 S 9.17 4.91 0.00 3.77 3.81 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 18 L 8.41 5.25 0.00 1.76 1.72 1.01 0.94 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 19 V 8.64 4.75 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 0.70 0.00 0.00 0.94 0.00 0.00 20 M 8.70 4.34 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 21 S 9.49 4.37 0.00 3.85 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 22 G 8.43 3.95 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 0.00 0.00 0.00 23 P 0.00 4.10 0.00 0.82 1.76 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 24 Y 7.54 5.16 0.00 2.83 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 25 E 8.21 5.18 0.00 2.24 1.84 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 2.29 2.41 0.00 26 L 8.55 5.40 0.00 1.66 1.62 1.18 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.35 5.29 0.00 1.64 1.69 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.41 7.81 28 A 8.72 5.49 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 29 L 8.74 4.79 0.00 2.02 1.77 0.94 0.87 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 30 H 9.81 4.81 0.00 3.14 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.47 4.76 0.00 1.62 1.57 1.03 0.90 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 32 Q 8.07 4.52 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 33 G 8.61 3.81 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 0.00 0.00 0.00 34 Q 8.76 3.98 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 35 D 8.02 4.58 0.00 2.79 2.75 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 36 M 8.21 4.13 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 37 E 7.92 4.05 0.00 1.95 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 0.00 2.46 2.48 0.00 38 Q 7.65 4.07 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 39 Q 7.45 4.35 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.25 0.00 40 V 8.37 3.41 1.68 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 -1.03 0.00 0.00 0.62 0.00 0.00 41 V 7.90 4.27 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 0.85 0.00 0.00 42 W 9.05 5.10 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 43 S 9.14 5.06 0.00 3.86 3.74 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 0.00 0.00 0.00 44 M 9.08 4.67 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 45 S 8.86 5.20 0.00 4.02 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 0.00 46 F 8.93 4.86 0.00 3.02 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 47 V 8.11 4.60 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 0.72 0.00 0.00 1.02 0.00 0.00 48 Q 9.21 4.25 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 49 G 8.43 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 0.00 0.00 0.00 0.00 50 E 8.06 4.07 0.00 1.94 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 2.30 2.31 0.00 51 E 8.30 4.93 0.00 1.94 1.77 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 2.22 2.45 0.00 52 S 8.87 4.64 0.00 3.92 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 53 N 8.51 4.37 0.00 2.75 2.89 0.00 0.00 6.83 7.61 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 *55 K 7.97 4.24 0.00 1.76 1.85 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.51 7.81 56 I 8.45 4.81 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.19 1.20 0.00 0.00 57 P 0.00 5.00 0.00 2.12 2.00 0.00 3.63 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 2.26 2.36 0.00 58 V 9.23 4.97 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 0.35 0.00 0.00 1.07 0.00 0.00 59 A 8.91 5.38 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 60 L 8.87 4.74 0.00 1.18 0.84 -0.53 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.67 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 0.00 0.00 0.00 62 L 8.22 4.15 0.00 1.42 1.35 0.63 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.62 4.08 0.00 1.53 1.73 0.00 1.95 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.41 7.81 64 E 8.96 3.87 0.00 2.10 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 2.21 2.28 0.00 65 K 7.76 4.61 0.00 1.58 1.59 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.34 7.81 66 N 8.39 4.87 0.00 2.97 3.04 0.00 0.00 5.91 6.67 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 67 L 7.29 5.39 0.00 1.49 1.58 0.89 1.08 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 68 Y 9.07 5.22 0.00 2.79 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 69 L 9.23 5.00 0.00 1.70 1.77 0.21 1.12 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 70 S 9.61 4.95 0.00 3.54 3.87 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 71 C 8.61 5.37 0.00 2.79 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 72 V 8.83 4.76 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 0.76 0.00 0.00 0.92 0.00 0.00 73 L 8.57 4.59 0.00 1.55 1.58 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.51 4.35 0.00 1.70 1.58 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 75 D 9.52 4.35 0.00 2.83 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 76 D 8.49 4.51 0.00 2.81 2.75 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 77 K 7.46 4.56 0.00 1.62 1.53 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.31 7.81 78 P 0.00 3.81 0.00 0.69 0.49 0.00 3.13 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 0.63 0.00 79 T 8.77 4.69 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 1.24 0.00 0.00 80 L 8.68 5.06 0.00 1.76 1.68 1.15 0.69 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 81 Q 9.23 4.79 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 82 L 8.67 5.24 0.00 1.81 1.84 0.97 0.87 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 83 E 9.38 4.65 0.00 2.04 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 0.00 2.31 2.25 0.00 84 S 8.73 4.94 0.00 3.80 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 85 V 8.18 4.45 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 0.00 0.00 -0.04 0.00 0.00 0.64 0.00 0.00 86 D 8.59 4.47 0.00 2.76 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 87 P 0.00 4.45 0.00 2.26 2.21 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 88 K 8.46 4.18 0.00 1.78 2.05 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.42 7.81 89 N 8.25 4.82 0.00 2.79 2.54 0.00 0.00 6.74 6.98 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 90 Y 7.65 4.66 0.00 2.92 2.86 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 91 P 0.00 4.79 0.00 2.13 2.17 0.00 3.72 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 2.12 2.21 0.00 92 K 7.88 4.65 0.00 1.64 1.59 0.00 1.18 0.00 0.00 0.79 0.00 0.00 2.69 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.90 1.36 7.81 93 K 8.71 4.12 0.00 1.84 1.91 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.47 7.81 94 K 7.53 4.55 0.00 1.70 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.37 7.81 95 M 7.76 4.37 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 96 E 8.79 4.18 0.00 2.38 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 2.50 2.42 0.00 97 K 8.60 3.86 0.00 1.68 1.64 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.31 7.81 98 R 7.72 3.64 0.00 1.83 2.03 0.00 2.56 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 99 F 7.70 4.88 0.00 3.14 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 0.00 100 V 7.45 4.42 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 0.93 0.00 0.00 1.01 0.00 0.00 101 F 9.39 5.23 0.00 3.09 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 0.00 102 N 9.48 4.97 0.00 2.64 2.80 0.00 0.00 6.51 8.36 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 0.00 103 K 9.24 4.34 0.00 1.88 1.86 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 0.91 7.81 104 I 8.51 4.70 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.93 0.00 0.00 105 E 8.82 4.96 0.00 1.84 1.89 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 2.25 2.30 0.00 106 I 8.43 4.43 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.89 0.00 0.00 107 N 9.60 4.30 0.00 2.94 2.96 0.00 0.00 6.30 8.04 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 0.00 108 N 8.37 4.24 0.00 2.89 2.94 0.00 0.00 6.96 7.61 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 0.00 109 K 7.95 4.82 0.00 1.79 1.65 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.55 7.81 110 L 8.84 5.13 0.00 1.50 0.97 0.97 1.21 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 0.00 111 E 8.83 5.21 0.00 1.92 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 0.00 2.41 2.18 0.00 112 F 8.88 5.13 0.00 2.80 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 0.00 113 E 9.14 4.37 0.00 1.86 1.75 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 2.03 1.50 0.00 114 S 8.98 4.11 0.00 4.00 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 0.00 115 A 8.43 4.05 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 0.00 116 Q 7.82 3.67 0.00 1.56 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.07 0.00 0.00 0.00 0.00 0.00 1.21 1.69 0.00 117 F 7.70 4.81 0.00 3.05 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 0.00 118 P 0.00 4.48 0.00 2.11 2.05 0.00 3.94 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 2.06 2.14 0.00 119 N 9.45 4.09 0.00 2.80 2.90 0.00 0.00 6.95 7.33 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 0.00 120 F 7.88 4.77 0.00 3.31 3.02 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 0.00 121 Y 8.90 5.33 0.00 3.08 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 0.00 122 I 8.91 4.19 1.73 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 0.64 0.00 0.00 123 S 9.18 5.08 0.00 2.72 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 0.00 124 T 8.61 5.07 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 1.34 0.00 0.00 125 S 8.76 4.98 0.00 4.01 3.91 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 0.00 126 Q 8.64 4.09 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 127 A 7.77 4.16 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 0.00 128 E 8.60 4.01 0.00 1.96 1.89 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 2.32 2.40 0.00 129 N 8.58 4.27 0.00 2.91 2.89 0.00 0.00 7.08 7.15 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 0.00 130 M 7.68 4.78 0.00 2.01 2.01 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 2.63 2.73 0.00 131 P 0.00 4.98 0.00 2.04 2.07 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 132 V 8.54 4.33 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 0.84 0.00 0.00 1.01 0.00 0.00 133 F 8.99 5.15 0.00 3.20 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 0.00 134 L 8.89 5.11 0.00 1.69 1.90 0.90 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 0.00 135 G 9.10 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 0.00 0.00 0.00 0.00 *140 G 8.70 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 0.00 141 Q 9.03 4.10 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 142 D 7.94 4.69 0.00 2.78 2.90 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 0.00 143 I 8.83 4.53 1.74 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 1.20 0.73 0.61 0.00 0.00 144 T 8.44 4.94 4.10 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 0.00 0.00 0.00 1.14 0.00 0.00 145 D 7.67 5.25 0.00 2.43 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 0.00 146 F 9.44 5.40 0.00 3.20 2.98 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 0.00 147 T 9.17 4.99 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 148 M 8.60 5.08 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.99 0.00 149 Q 8.81 4.75 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 150 F 9.13 4.90 0.00 2.93 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 0.00 151 V 8.26 4.63 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 0.74 0.00 0.00 0.97 0.00 0.00 152 S 8.63 4.29 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.