NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4433 8.0427 122.7920 54.4025 44.6962 175.7646 2 K 4.8696 8.9986 120.7756 54.2482 35.3535 172.7910 3 I 5.3050 9.9903 130.1423 59.9573 40.9198 174.3715 4 T 5.1578 9.7641 123.0507 61.9325 72.8815 173.0102 5 I 4.8174 8.8909 127.3185 59.8434 39.3822 174.7415 6 L 4.6080 8.8311 131.3716 53.6905 42.5431 174.9164 7 A 5.2279 8.3104 126.8704 50.0023 22.3234 175.0078 8 V 4.3117 8.0981 119.6404 62.8533 32.6429 177.1751 9 G 4.0729 9.7180 115.3210 46.1184 0.0000 173.1134 10 K 4.9047 8.0579 121.8267 52.1080 34.0992 177.5608 11 L 4.5262 8.4975 123.4078 53.3075 41.7393 174.8284 12 K 4.2432 8.7907 124.7892 57.6034 33.0880 176.6583 13 E 3.6755 8.1211 119.4069 56.8295 29.7557 177.6533 14 K 3.8283 8.9703 124.3411 59.9882 32.0569 178.3882 15 Y 4.1244 7.8012 116.9587 60.1690 37.6381 178.5053 16 W 4.5384 7.6555 120.6153 59.1793 29.2216 178.7370 17 K 4.0211 8.0239 118.1472 59.7307 31.4918 179.1134 18 Q 4.0165 8.3366 118.1022 58.9360 28.4909 178.9942 19 A 3.9936 7.9855 121.5288 55.1908 18.6744 179.5687 20 I 3.8930 8.2029 116.7032 63.7298 38.0295 177.7397 21 A 5.0454 7.9436 122.8798 53.8846 18.4113 179.1774 22 E 3.6948 7.7213 118.1706 59.7983 29.7549 178.7922 23 Y 4.0324 7.4817 116.2940 60.6643 37.7782 178.1332 24 E 4.0049 8.0091 119.4550 59.3485 29.5027 179.5069 25 K 3.8959 8.0189 118.1844 59.6588 31.9764 179.3286 26 R 3.7223 7.6090 116.8676 59.6550 30.1932 178.7136 27 L 4.4361 8.3719 117.6573 57.3544 41.6021 178.7825 28 G 3.7690 8.7739 104.9386 47.9146 0.0000 173.5723 29 P 4.0913 0.0000 0.0000 64.3204 31.7701 177.1160 30 Y 4.1544 7.4900 113.8497 58.5377 38.6163 175.0862 31 T 4.1743 7.2268 112.0534 61.0763 71.3318 172.4341 32 K 4.3233 9.7097 127.6784 56.3363 33.5626 175.4986 33 I 5.4192 8.2308 125.8738 59.4287 41.0985 173.8028 34 D 4.9145 9.2865 127.2326 52.0904 43.1761 173.8973 35 I 4.9366 8.4138 120.7769 59.6607 39.7761 174.9201 36 I 4.4140 8.4348 127.2814 59.6079 39.6793 174.4796 37 E 4.7084 8.7286 127.7539 55.4716 31.0366 175.8284 38 V 4.4250 8.6616 119.4096 58.8399 33.5992 173.9788 39 P 4.5954 0.0000 0.0000 63.0873 31.4887 176.0035 40 D 4.3981 8.5955 122.0221 53.2628 40.4353 176.7140 *50 K 4.1914 8.3695 119.3233 56.6802 34.0147 177.6938 51 E 4.0677 7.9011 117.2734 58.7954 28.1597 178.7516 52 I 4.0357 7.7304 118.9715 63.0959 37.4661 177.2617 53 E 4.3897 8.2268 119.7422 58.4491 29.6120 178.2191 54 Q 4.1918 7.9844 117.4493 57.9359 29.0954 178.4496 55 V 3.7012 7.4516 119.6013 64.3281 31.5456 178.5851 56 K 3.9135 7.5109 116.4653 59.2704 31.9550 178.6390 57 E 3.5586 7.9716 118.9416 59.1782 28.9802 178.7669 58 K 3.8315 7.7127 118.3456 59.6738 32.0993 178.9201 59 E 4.0621 8.0985 118.2710 59.4974 29.4496 179.5820 60 G 3.6783 8.7866 106.5316 48.1668 0.0000 175.4996 61 Q 4.0860 8.5011 120.7399 58.8083 28.4323 179.2688 62 R 3.8186 7.4246 117.6047 58.7698 30.4229 178.8013 63 I 3.8839 7.8885 120.0582 64.4314 37.1473 178.4211 64 L 3.9853 8.6177 119.8896 57.6911 41.1531 179.3785 65 A 4.1442 7.3992 119.7324 54.7297 18.3623 178.8845 66 K 4.3718 7.9258 114.3137 55.8497 32.5319 176.6009 67 I 4.3544 7.4105 121.8464 59.1014 38.0903 175.9748 68 K 4.2388 8.3534 124.9558 55.4430 32.8198 176.2548 69 P 4.1646 0.0000 0.0000 65.8203 31.4300 178.1089 70 Q 4.0934 8.1737 114.4549 58.7485 29.1342 176.4313 71 S 3.8598 7.0710 112.5982 57.3686 63.4525 174.2208 72 T 4.2047 8.6443 122.1418 62.9479 69.1796 173.8845 73 V 4.4993 8.8716 128.2487 61.4804 33.4273 174.5312 74 I 4.9897 9.1969 130.4370 59.7330 39.7806 174.6443 75 T 4.7739 9.4426 119.1265 60.3820 70.9037 174.0294 76 L 5.0139 8.4994 125.9555 54.2867 42.3950 176.1965 77 E 4.6023 9.2971 124.4522 54.3392 32.1992 177.2561 78 I 3.3542 8.8233 126.0723 64.4489 37.3191 176.9816 79 Q 4.0993 7.9981 118.8728 57.1091 29.4322 176.1308 80 G 3.9407 8.1795 106.2900 45.7053 0.0000 172.4116 81 K 4.2573 9.0324 120.8255 56.1494 33.1776 177.2517 82 M 4.9738 8.0120 125.2940 53.2565 30.5490 175.9043 83 L 4.1746 7.5494 120.8454 54.2383 43.2821 178.0150 84 S 4.5412 8.1248 116.5247 57.5403 66.2235 175.1496 85 S 4.1976 8.3682 116.4572 61.7948 62.3590 176.6142 86 E 4.1238 8.1489 121.0731 58.8538 29.2947 179.3252 87 G 3.5132 7.8314 105.8239 47.5950 0.0000 175.5510 88 L 3.7888 7.7549 122.7059 57.5862 42.0295 178.7326 89 A 3.7477 7.6085 120.2541 55.2922 18.2712 178.9005 90 Q 3.7957 8.0634 117.9504 59.4993 29.0130 178.1530 91 E 3.8034 8.0284 119.7915 59.6505 29.7341 179.0565 92 L 3.7396 8.0797 118.9329 57.5856 41.5414 179.1640 93 N 4.1821 8.2371 117.3738 56.7748 38.9207 176.2155 94 Q 3.9019 8.6012 121.1443 59.6411 29.0301 178.5457 95 R 4.0015 8.0867 118.5160 59.9842 30.2659 179.0898 96 M 5.1561 8.0414 119.2004 58.2157 31.7477 178.9491 97 T 4.0324 7.9425 115.1812 65.8180 68.5318 175.6133 98 Q 4.5685 7.6574 117.7993 55.4574 29.2887 176.7108 99 G 4.0105 8.0710 109.6312 45.1840 0.0000 174.5929 100 Q 4.1671 8.7273 120.5355 55.9999 29.4194 176.6199 101 S 4.8503 8.3218 112.8651 57.6464 66.4739 172.3853 102 D 5.2646 7.9276 120.9274 52.8067 42.7528 174.3202 103 F 5.0506 9.4455 125.9629 55.4342 42.0140 174.8614 104 V 4.8443 9.2223 124.2658 61.2645 34.0353 173.9839 105 F 5.4118 9.5911 128.1250 55.9829 41.1156 175.2571 106 V 5.0349 9.2495 123.6440 59.9242 34.4079 174.4863 107 I 4.6580 8.3640 124.8663 59.4320 39.6367 176.2523 108 G 4.2112 8.7104 114.9821 45.7126 0.0000 172.1717 109 G 4.1014 8.3140 108.6950 44.1310 0.0000 174.3889 110 S 4.1054 8.5846 112.8387 60.7280 62.8515 174.6688 111 N 4.6512 8.2545 116.8677 52.7240 38.5883 175.5598 112 G 3.8154 8.1334 107.3600 44.6017 0.0000 172.6504 113 L 4.6585 7.8949 117.5426 52.9544 43.6396 176.3223 114 H 4.4369 8.4735 121.7330 55.4875 30.8683 175.9127 115 K 3.8094 8.2342 122.8395 60.1353 31.5102 179.1572 116 D 4.3843 8.2836 117.2802 56.8670 41.0657 178.6423 117 V 3.7193 8.2922 119.6570 65.7943 31.6493 177.6211 118 L 3.9463 7.9529 118.2379 58.3422 41.3009 179.4618 119 Q 3.9853 8.0206 116.1400 59.2313 28.7440 178.9668 120 R 4.0326 8.0178 120.9312 59.0031 30.5175 177.9957 121 S 4.2617 7.2436 114.0115 58.9377 62.6775 176.3904 122 N 4.9284 8.6905 119.8388 53.8520 40.0075 174.8920 123 Y 4.5947 7.7734 118.8164 56.3528 42.6924 172.9950 124 A 4.9896 8.0124 128.6656 50.5649 20.7250 174.7954 125 L 5.1344 9.2396 124.6964 54.1795 44.9456 175.0846 126 S 5.0954 10.0202 120.6459 56.7706 63.9542 174.7914 127 F 4.1047 9.3205 126.3709 60.0070 39.3156 175.2912 128 S 4.5614 7.4242 111.4466 57.6751 64.5909 175.0626 129 K 4.1445 8.5325 122.4188 57.8738 32.3510 177.4613 130 M 4.3190 7.6839 118.5119 54.7780 32.8911 175.3695 131 T 4.3284 8.1484 116.5269 61.9668 70.0233 174.3914 132 F 5.1898 8.1675 125.1867 54.6449 41.7168 174.3944 133 P 4.4986 0.0000 0.0000 63.0695 32.8314 177.2565 134 H 4.1333 8.6204 114.9066 59.0266 27.9394 177.7438 135 Q 3.5517 7.2152 120.2735 58.5923 28.4676 178.3134 136 M 2.5896 7.1282 118.6056 58.2380 32.3173 177.6718 137 M 3.8865 7.6752 118.2791 58.4626 32.2022 178.2823 138 R 3.7235 7.3820 118.9339 59.1857 30.2678 178.7301 139 V 3.5203 7.0326 117.0067 65.9506 31.5698 177.9615 140 V 3.4469 7.7889 118.4029 65.8732 31.2732 177.6111 141 L 3.7783 7.8021 120.1424 58.2394 42.0532 178.7497 142 I 3.5874 7.8236 118.7449 63.9910 37.7932 177.4143 143 E 3.2249 7.9518 120.2173 59.0615 29.3337 178.6452 144 Q 3.9777 8.2271 119.6231 58.8580 29.0457 178.4354 145 V 3.4208 7.6369 119.6333 65.9506 31.5842 177.3041 146 Y 4.1314 7.8573 118.8362 60.7605 38.6162 177.9306 147 R 3.4671 8.1159 119.3952 59.3937 30.0692 178.2957 148 A 3.8981 8.0665 120.5183 54.9615 18.2102 179.6339 149 F 3.9033 7.9601 116.1977 60.6642 39.0115 177.6758 150 K 3.5925 7.9186 118.3019 59.7992 31.8278 179.3282 151 I 3.6898 8.0410 119.9404 64.6737 36.8290 178.3302 152 M 4.0368 7.9294 118.4892 58.4763 31.8739 178.5843 153 R 4.2680 8.3509 116.6550 56.2531 30.4719 177.0159 154 G 3.9101 7.7799 106.4118 46.4586 0.0000 173.2102 155 E 4.4482 8.0070 118.4996 54.0306 30.7966 176.4438 156 A 4.0673 8.4776 125.5175 53.0267 18.9971 176.8966 157 Y 4.4747 8.2945 120.5571 58.6207 38.9911 173.2876 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 L 8.04 4.44 0.00 1.91 2.10 0.97 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.00 4.87 0.00 1.95 1.86 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.63 7.81 3 I 9.99 5.31 2.06 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 1.18 0.00 0.00 4 T 9.76 5.16 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 1.28 0.00 0.00 5 I 8.89 4.82 1.93 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 1.19 1.23 0.93 0.00 0.00 6 L 8.83 4.61 0.00 1.84 1.63 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.31 5.23 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 8 V 8.10 4.31 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 0.73 0.00 0.00 0.96 0.00 0.00 9 G 9.72 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 10 K 8.06 4.90 0.00 1.76 1.57 0.00 1.70 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.92 7.81 11 L 8.50 4.53 0.00 1.68 1.48 0.92 0.89 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 12 K 8.79 4.24 0.00 1.73 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 13 E 8.12 3.68 0.00 1.52 1.12 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 2.16 2.28 0.00 14 K 8.97 3.83 0.00 1.79 1.89 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.52 7.81 15 Y 7.80 4.12 0.00 2.92 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 16 W 7.66 4.54 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 17 K 8.02 4.02 0.00 2.01 1.88 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.48 7.81 18 Q 8.34 4.02 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 19 A 7.99 3.99 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.20 3.89 2.08 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 1.51 1.40 1.03 0.00 0.00 21 A 7.94 5.05 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.72 3.69 0.00 1.80 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 1.61 2.05 0.00 23 Y 7.48 4.03 0.00 3.00 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 24 E 8.01 4.00 0.00 2.29 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 2.36 2.49 0.00 25 K 8.02 3.90 0.00 1.93 1.79 0.00 1.54 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 26 R 7.61 3.72 0.00 1.00 1.05 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.26 0.00 27 L 8.37 4.44 0.00 1.82 1.71 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.77 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 29 P 0.00 4.09 0.00 1.41 1.90 0.00 4.12 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 30 Y 7.49 4.15 0.00 2.37 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 0.00 0.00 0.00 31 T 7.23 4.17 4.15 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 0.00 0.00 1.05 0.00 0.00 32 K 9.71 4.32 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.41 7.81 33 I 8.23 5.42 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.28 0.94 0.00 0.00 34 D 9.29 4.91 0.00 2.74 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 35 I 8.41 4.94 1.90 0.00 0.00 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 1.48 0.98 0.98 0.00 0.00 36 I 8.43 4.41 1.90 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 1.25 1.32 0.93 0.00 0.00 37 E 8.73 4.71 0.00 1.93 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 2.37 2.35 0.00 38 V 8.66 4.42 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 0.85 0.00 0.00 0.96 0.00 0.00 39 P 0.00 4.60 0.00 2.06 2.07 0.00 3.77 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 1.99 1.98 0.00 40 D 8.60 4.40 0.00 2.82 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 *50 K 8.37 4.19 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 51 E 7.90 4.07 0.00 2.05 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 2.40 2.40 0.00 52 I 7.73 4.04 1.87 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 1.64 1.12 0.91 0.00 0.00 53 E 8.23 4.39 0.00 2.15 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 2.29 2.48 0.00 54 Q 7.98 4.19 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 55 V 7.45 3.70 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 0.84 0.00 0.00 0.93 0.00 0.00 56 K 7.51 3.91 0.00 2.08 1.99 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.82 7.81 57 E 7.97 3.56 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 2.19 2.04 0.00 58 K 7.71 3.83 0.00 1.96 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.77 7.81 59 E 8.10 4.06 0.00 2.27 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 2.32 2.45 0.00 60 G 8.79 3.68 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 0.00 0.00 0.00 61 Q 8.50 4.09 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 62 R 7.42 3.82 0.00 1.95 1.98 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 63 I 7.89 3.88 2.04 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 1.53 0.74 0.93 0.00 0.00 64 L 8.62 3.99 0.00 1.63 1.72 0.92 1.00 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 65 A 7.40 4.14 1.35 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 66 K 7.93 4.37 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.62 7.81 67 I 7.41 4.35 1.97 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 1.30 0.71 0.89 0.00 0.00 68 K 8.35 4.24 0.00 1.76 1.71 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.40 7.81 69 P 0.00 4.16 0.00 2.02 2.11 0.00 3.65 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 2.02 2.08 0.00 70 Q 8.17 4.09 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 71 S 7.07 3.86 0.00 3.85 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 72 T 8.64 4.20 3.31 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 1.12 0.00 0.00 73 V 8.87 4.50 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 1.04 0.00 0.00 0.90 0.00 0.00 74 I 9.20 4.99 1.33 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.25 1.21 0.00 0.00 75 T 9.44 4.77 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 1.25 0.00 0.00 76 L 8.50 5.01 0.00 1.80 1.76 1.27 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.30 4.60 0.00 1.86 1.85 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 2.21 2.27 0.00 78 I 8.82 3.35 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.38 0.86 0.00 0.00 79 Q 8.00 4.10 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 80 G 8.18 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 0.00 0.00 0.00 81 K 9.03 4.26 0.00 1.62 1.72 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.40 7.81 82 M 8.01 4.97 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 83 L 7.55 4.17 0.00 1.54 1.53 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.12 4.54 0.00 4.01 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 85 S 8.37 4.20 0.00 3.86 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 E 8.15 4.12 0.00 2.02 1.95 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 2.37 2.40 0.00 87 G 7.83 3.51 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 0.00 0.00 0.00 88 L 7.75 3.79 0.00 1.66 1.54 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.61 3.75 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 3.80 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 91 E 8.03 3.80 0.00 2.05 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 1.64 2.08 0.00 92 L 8.08 3.74 0.00 1.44 1.18 0.62 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.24 4.18 0.00 2.88 2.85 0.00 0.00 6.78 6.61 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 94 Q 8.60 3.90 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 95 R 8.09 4.00 0.00 2.23 2.24 0.00 3.44 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.04 0.00 96 M 8.04 5.16 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.71 0.00 97 T 7.94 4.03 4.60 0.00 0.00 0.00 0.00 0.00 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 98 Q 7.66 4.57 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.43 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 99 G 8.07 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 0.00 100 Q 8.73 4.17 0.00 2.20 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 101 S 8.32 4.85 0.00 3.93 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 0.00 102 D 7.93 5.26 0.00 2.67 2.44 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 0.00 103 F 9.45 5.05 0.00 3.25 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 0.00 104 V 9.22 4.84 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 1.03 0.00 0.00 0.93 0.00 0.00 105 F 9.59 5.41 0.00 2.97 2.99 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 0.00 106 V 9.25 5.03 2.14 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 0.80 0.00 0.00 1.01 0.00 0.00 107 I 8.36 4.66 1.88 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 1.17 1.07 0.90 0.00 0.00 108 G 8.71 4.21 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 0.00 0.00 0.00 109 G 8.31 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 0.00 0.00 0.00 0.00 110 S 8.58 4.11 0.00 4.00 4.03 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 0.00 111 N 8.25 4.65 0.00 2.73 2.86 0.00 0.00 7.10 7.65 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 0.00 112 G 8.13 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 0.00 0.00 0.00 113 L 7.89 4.66 0.00 1.64 1.60 0.95 1.02 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 0.00 114 H 8.47 4.44 0.00 3.18 3.16 0.00 5.70 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 0.00 115 K 8.23 3.81 0.00 1.62 1.81 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.45 7.81 116 D 8.28 4.38 0.00 2.70 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 0.00 117 V 8.29 3.72 2.20 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 1.05 0.00 0.00 0.95 0.00 0.00 118 L 7.95 3.95 0.00 1.87 1.73 0.90 0.90 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 0.00 119 Q 8.02 3.99 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 120 R 8.02 4.03 0.00 1.79 2.18 0.00 3.32 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 121 S 7.24 4.26 0.00 3.69 3.66 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 0.00 122 N 8.69 4.93 0.00 2.67 2.91 0.00 0.00 6.70 8.32 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 0.00 123 Y 7.77 4.59 0.00 2.99 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 0.00 124 A 8.01 4.99 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 0.00 125 L 9.24 5.13 0.00 1.97 1.75 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 126 S 10.02 5.10 0.00 4.16 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 0.00 127 F 9.32 4.10 0.00 3.07 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 0.00 128 S 7.42 4.56 0.00 3.81 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 0.00 129 K 8.53 4.14 0.00 1.77 1.82 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 130 M 7.68 4.32 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 131 T 8.15 4.33 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 0.00 132 F 8.17 5.19 0.00 2.89 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 0.00 133 P 0.00 4.50 0.00 2.29 2.22 0.00 3.50 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 134 H 8.62 4.13 0.00 3.32 3.57 0.00 5.46 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 0.00 135 Q 7.22 3.55 0.00 1.60 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 136 M 7.13 2.59 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.27 0.00 137 M 7.68 3.89 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 138 R 7.38 3.72 0.00 1.90 1.81 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 139 V 7.03 3.52 2.03 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 1.22 0.00 0.00 0.91 0.00 0.00 140 V 7.79 3.45 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 0.70 0.00 0.00 0.69 0.00 0.00 141 L 7.80 3.78 0.00 1.38 1.67 0.60 0.97 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 0.00 142 I 7.82 3.59 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.99 0.00 0.00 143 E 7.95 3.22 0.00 1.17 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 1.86 2.27 0.00 144 Q 8.23 3.98 0.00 2.55 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 145 V 7.64 3.42 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 1.05 0.00 0.00 0.45 0.00 0.00 146 Y 7.86 4.13 0.00 2.98 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 0.00 147 R 8.12 3.47 0.00 2.32 2.10 0.00 3.38 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 148 A 8.07 3.90 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 0.00 149 F 7.96 3.90 0.00 2.84 2.42 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 0.00 150 K 7.92 3.59 0.00 1.45 1.62 0.00 1.49 0.00 0.00 1.12 0.00 0.00 2.61 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.21 7.81 151 I 8.04 3.69 1.91 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 1.51 1.01 0.87 0.00 0.00 152 M 7.93 4.04 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 153 R 8.35 4.27 0.00 2.07 2.19 0.00 3.57 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.12 0.00 154 G 7.78 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 0.00 0.00 0.00 155 E 8.01 4.45 0.00 2.00 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 2.46 0.00 156 A 8.48 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 0.00 157 Y 8.29 4.47 0.00 2.69 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 * Residues marked with a * may have inaccurate shift predictions.