NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6237 8.4645 119.5552 53.1504 41.4023 176.1643 5 S 4.2047 8.7385 120.2483 58.6385 62.8339 169.1493 6 E 4.3013 8.0528 114.9150 55.8198 31.1959 181.5453 7 V 3.9736 8.3770 123.4908 61.9796 33.0872 175.4153 8 G 4.1727 8.2861 115.8501 46.1791 0.0000 173.6276 9 T 4.6065 8.2545 121.2279 61.4045 70.6900 174.2368 10 E 3.9160 8.9028 124.9002 58.9004 29.6107 178.7514 11 A 3.8052 8.4362 117.3119 52.2327 16.1589 177.0766 12 G 4.0947 8.0855 104.8084 47.8502 0.0000 173.0582 13 L 5.3793 7.8089 119.5242 53.0488 44.8877 175.6754 14 T 4.7255 8.7808 115.1213 60.0088 72.7164 172.2971 15 L 4.7272 8.4902 126.1479 53.3426 43.4195 176.4521 16 G 3.8926 8.8771 116.0402 44.7107 0.0000 174.4799 17 G 3.6354 8.5007 108.8594 48.1941 0.0000 174.6508 18 D 4.3792 8.0113 117.1957 53.9878 39.4792 177.0887 19 G 3.8718 8.0339 108.2989 45.7694 0.0000 172.9672 20 I 4.5952 7.6719 120.9790 59.2946 39.1679 175.2169 21 L 4.6820 8.8861 127.9191 54.6718 42.7050 176.7734 22 R 4.7681 9.1505 122.0173 54.4266 33.5323 174.0401 23 L 5.0529 9.0329 127.2292 53.5698 44.4912 175.3974 24 T 4.9267 9.0665 124.3731 62.7354 68.6827 174.2176 25 W 4.9689 8.5336 135.0000 55.4491 33.9656 172.9989 26 P 3.4378 0.0000 0.0000 61.5999 31.5640 176.6894 27 R 4.1557 8.1981 118.9226 58.8054 31.1094 177.4061 28 G 3.6632 7.3110 109.1272 44.9886 0.0000 173.8403 29 A 4.2702 8.6123 122.8251 52.9373 19.2790 176.9092 30 A 4.1592 7.6512 119.5544 51.3841 19.1980 176.9740 31 I 4.4835 8.1972 123.4081 59.2551 39.8386 175.4544 32 T 4.7654 8.2528 115.2198 59.0154 72.9394 174.5614 33 A 4.0290 8.5356 123.8154 55.4314 18.4626 179.8989 34 A 3.9750 8.1027 118.7824 55.4643 18.3626 179.4726 35 D 4.3538 8.3826 117.0190 57.5097 40.7571 178.7473 36 A 3.5278 7.8158 119.5329 55.1627 18.4105 179.2436 37 E 4.0010 8.2119 116.1105 59.5503 29.8693 179.2616 38 R 4.0752 8.3824 118.8622 59.1126 30.1990 178.8682 39 A 3.9417 8.1490 117.7772 52.7200 18.0844 178.7632 *41 L 4.1719 7.8498 123.8634 56.6638 44.0729 179.2960 42 R 3.9236 8.0121 117.4998 59.0552 29.8564 179.1720 43 V 3.5912 7.6839 117.7495 66.1622 31.5295 177.9326 44 N 4.3569 8.0519 115.6354 56.4591 38.2641 177.3202 45 Q 4.0197 8.1533 118.7274 58.8183 28.8318 178.3217 46 L 4.1145 7.7991 120.6442 58.3484 42.4371 178.5268 47 C 4.3476 8.4123 116.9388 59.5560 28.2268 175.6981 48 G 3.7888 8.4082 107.5774 47.1150 0.0000 176.4324 49 D 4.4871 8.9228 124.9715 55.4309 41.0265 175.8087 50 D 4.7954 7.6675 118.7980 52.9432 42.3278 175.8668 51 R 4.6524 8.0454 119.3784 54.8286 33.0133 175.1750 52 H 4.9832 8.2769 117.1791 53.3678 33.2656 173.0446 53 P 4.4513 0.0000 0.0000 62.2998 33.0987 174.0309 *55 L 4.2406 8.3580 121.1541 55.8195 43.4875 176.8653 56 V 4.6634 8.4483 126.6699 61.6531 32.1851 174.7181 57 D 4.6375 9.3235 128.6870 52.9236 43.0948 176.0167 *59 A 4.5705 8.1870 122.6616 52.2075 19.8212 178.2190 60 T 4.1739 8.0306 111.7310 65.1909 69.8071 174.5075 61 T 4.5667 7.3288 114.9131 59.2913 70.3887 173.9655 62 A 4.1247 8.5279 128.0017 54.5978 18.4381 179.4117 63 D 4.3272 8.0126 117.0172 56.1684 40.8675 178.8962 64 V 3.6969 7.3361 120.9610 65.7320 31.5815 178.2196 65 S 4.1542 7.9543 114.3402 61.4894 62.7019 176.7203 66 R 4.0248 7.6797 120.6739 59.1238 29.6821 179.3312 67 G 3.6400 8.4332 106.7647 46.9269 0.0000 175.5124 68 A 4.2703 8.0544 123.2186 55.3855 18.0058 180.0487 69 R 3.9270 8.2405 116.2597 59.1931 29.8641 179.2974 70 A 3.9631 7.7756 119.7692 55.2365 18.5359 179.6576 71 V 3.7053 7.8678 109.5010 62.6589 31.9046 177.2156 72 F 4.8640 7.9829 114.6967 57.2967 39.3927 176.1001 73 G 3.9961 7.7921 108.7153 45.6216 0.0000 174.7092 74 R 4.1135 7.6948 118.9097 54.9579 30.7169 174.8455 75 P 4.4074 0.0000 0.0000 62.8300 32.0478 175.4317 76 C 4.7157 8.3211 119.6625 57.9286 33.4828 173.7671 77 Q 4.2068 8.8090 125.1302 56.5890 28.8765 175.9646 78 A 4.3277 7.7993 122.3697 51.6982 19.2202 177.6915 79 S 4.4661 8.6538 117.4884 60.1854 64.0527 174.2687 80 R 4.8968 7.4069 114.4564 55.1828 32.1643 174.5453 81 I 4.8026 9.5638 120.9381 59.7189 40.8054 174.0900 82 A 5.3647 9.0546 129.0641 50.4290 20.7963 175.6142 83 L 4.5980 9.1830 123.7270 53.0048 43.9901 175.2904 84 L 4.7674 8.6540 126.7075 53.5527 43.6627 175.5075 85 G 4.3176 8.8448 114.7771 45.0438 0.0000 173.2138 86 S 4.5428 9.5746 115.0091 59.6058 64.0252 174.9122 87 S 4.8444 7.7902 112.3207 54.7838 66.2666 172.7152 88 P 4.4860 0.0000 0.0000 65.8952 31.0095 179.1933 89 V 3.6774 7.8156 117.1742 64.4380 31.3414 177.5646 90 D 4.5297 8.3025 119.1246 56.0898 40.5850 177.9786 91 R 3.0815 7.2420 119.5609 59.1471 29.7252 178.3533 92 V 3.6086 7.5207 117.5607 65.8554 31.3576 178.0418 93 L 4.0959 7.8956 118.6851 57.3693 41.4284 179.1432 94 A 4.1029 7.8938 120.3235 55.4814 18.3832 179.2628 95 N 4.3103 8.5692 115.3819 56.3071 38.4503 177.2672 96 F 4.0495 8.3761 122.1157 61.2964 39.5696 176.6764 97 F 4.1044 8.7541 120.1703 61.7005 39.2476 177.2807 98 L 4.2508 8.5253 118.4322 57.3307 41.1658 179.7405 99 G 3.4959 8.0966 105.5512 47.7660 0.0000 175.6114 100 I 3.8405 7.5144 121.5167 63.8404 37.2505 177.6771 101 N 4.5024 7.9712 114.1608 52.1212 40.1926 174.8869 102 A 3.6708 7.6245 122.1468 53.0606 16.3772 176.7911 103 V 4.1638 7.2655 113.6947 59.4158 33.3677 175.4718 104 P 4.5329 0.0000 0.0000 63.7536 32.0020 175.7549 105 C 4.6096 7.7169 114.0391 56.5077 31.6020 171.5659 106 P 4.7199 0.0000 0.0000 63.4238 31.9081 175.7451 107 T 5.9071 8.4958 112.3911 59.3508 72.1493 172.8455 108 K 4.2764 8.3349 122.2114 55.2922 35.6200 173.6929 109 F 5.2701 8.2174 127.7475 56.8060 41.0995 174.6876 110 F 4.6540 8.2861 123.2102 55.8873 43.2030 175.4227 111 T 4.6975 8.4226 108.2807 60.5412 69.9326 174.3505 112 S 4.6010 7.6925 117.7429 56.5196 64.0998 173.5050 113 E 3.7826 8.6500 130.2269 59.3688 29.5184 178.7174 114 R 3.8577 7.8789 117.5410 59.4340 30.1303 178.6034 115 D 4.3557 8.2528 118.4006 57.1377 40.7322 178.5250 116 A 2.0000 7.5549 121.2531 54.7355 18.3820 179.8091 117 L 3.8741 7.8482 117.3612 58.0050 41.3970 179.9472 118 T 3.8647 7.7083 115.0303 66.3768 68.6221 176.2218 119 W 4.3124 8.4194 130.4443 60.5230 30.5652 178.0168 120 L 3.7930 8.2030 117.9443 57.3532 41.1218 178.5904 121 A 4.2668 7.4461 117.8717 52.3575 20.0076 178.4528 122 L 4.1825 7.1440 118.6115 53.8582 39.7588 177.1121 123 T 4.0240 7.5530 115.9316 61.8561 67.3824 173.7708 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 D 8.46 4.62 0.00 2.71 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 5 S 8.74 4.20 0.00 3.71 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 6 E 8.05 4.30 0.00 1.98 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 2.23 1.86 0.00 7 V 8.38 3.97 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 0.93 0.00 0.00 0.93 0.00 0.00 8 G 8.29 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 9 T 8.25 4.61 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 1.26 0.00 0.00 10 E 8.90 3.92 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 11 A 8.44 3.81 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 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 13 L 7.81 5.38 0.00 1.64 1.69 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.78 4.73 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 1.22 0.00 0.00 15 L 8.49 4.73 0.00 1.60 1.57 0.59 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.88 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 17 G 8.50 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.01 4.38 0.00 2.78 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 19 G 8.03 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 0.00 0.00 0.00 20 I 7.67 4.60 2.02 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 1.24 0.74 0.92 0.00 0.00 21 L 8.89 4.68 0.00 1.58 1.60 1.00 0.80 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 22 R 9.15 4.77 0.00 1.70 1.82 0.00 3.09 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 23 L 9.03 5.05 0.00 1.75 1.56 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 T 9.07 4.93 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 25 W 8.53 4.97 0.00 3.32 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 26 P 0.00 3.44 0.00 1.76 1.00 0.00 3.31 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 27 R 8.20 4.16 0.00 1.75 1.96 0.00 3.37 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 28 G 7.31 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 0.00 0.00 0.00 29 A 8.61 4.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.65 4.16 1.21 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 31 I 8.20 4.48 1.76 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 1.43 0.43 1.11 0.00 0.00 32 T 8.25 4.77 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 33 A 8.54 4.03 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 34 A 8.10 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.38 4.35 0.00 3.12 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 36 A 7.82 3.53 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 37 E 8.21 4.00 0.00 2.11 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 0.00 2.36 2.34 0.00 38 R 8.38 4.08 0.00 2.02 2.10 0.00 3.12 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 1.65 1.66 0.00 39 A 8.15 3.94 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 *41 L 7.85 4.17 0.00 1.75 1.90 0.92 0.96 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 42 R 8.01 3.92 0.00 2.03 1.97 0.00 3.48 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 43 V 7.68 3.59 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 1.03 0.00 0.00 0.94 0.00 0.00 44 N 8.05 4.36 0.00 2.91 2.84 0.00 0.00 7.10 7.49 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 45 Q 8.15 4.02 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 46 L 7.80 4.11 0.00 1.71 1.94 0.92 0.92 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 47 C 8.41 4.35 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.41 3.79 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 49 D 8.92 4.49 0.00 2.68 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 50 D 7.67 4.80 0.00 2.82 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 51 R 8.05 4.65 0.00 1.69 1.74 0.00 3.13 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 52 H 8.28 4.98 0.00 3.05 3.34 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.45 0.00 2.08 2.03 0.00 3.87 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 2.12 2.09 0.00 *55 L 8.36 4.24 0.00 1.81 1.61 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.45 4.66 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 57 D 9.32 4.64 0.00 2.75 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 *59 A 8.19 4.57 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 60 T 8.03 4.17 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 1.25 0.00 0.00 61 T 7.33 4.57 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 1.23 0.00 0.00 62 A 8.53 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.01 4.33 0.00 2.69 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 64 V 7.34 3.70 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 1.03 0.00 0.00 0.85 0.00 0.00 65 S 7.95 4.15 0.00 3.89 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 66 R 7.68 4.02 0.00 2.10 1.96 0.00 3.24 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 67 G 8.43 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.05 4.27 1.46 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 0.00 0.00 0.00 69 R 8.24 3.93 0.00 1.88 2.01 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 70 A 7.78 3.96 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 71 V 7.87 3.71 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 0.64 0.00 0.00 0.03 0.00 0.00 72 F 7.98 4.86 0.00 3.21 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 73 G 7.79 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 0.00 0.00 0.00 74 R 7.69 4.11 0.00 1.82 1.88 0.00 3.18 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 75 P 0.00 4.41 0.00 2.19 2.06 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 76 C 8.32 4.72 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.81 4.21 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 78 A 7.80 4.33 1.32 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 0.00 0.00 79 S 8.65 4.47 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.41 4.90 0.00 1.78 1.78 0.00 2.71 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 81 I 9.56 4.80 2.07 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 1.30 0.85 1.05 0.00 0.00 82 A 9.05 5.36 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.18 4.60 0.00 1.79 1.68 1.10 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.65 4.77 0.00 1.55 1.51 0.84 0.98 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 85 G 8.84 4.32 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 0.00 0.00 0.00 86 S 9.57 4.54 0.00 3.99 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 87 S 7.79 4.84 0.00 3.97 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 88 P 0.00 4.49 0.00 2.19 2.21 0.00 3.64 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 2.15 2.24 0.00 89 V 7.82 3.68 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 0.82 0.00 0.00 0.90 0.00 0.00 90 D 8.30 4.53 0.00 3.13 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 91 R 7.24 3.08 0.00 0.67 1.50 0.00 2.82 0.00 0.00 2.88 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 0.00 92 V 7.52 3.61 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 0.96 0.00 0.00 0.91 0.00 0.00 93 L 7.90 4.10 0.00 1.97 1.76 0.93 0.62 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 94 A 7.89 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.57 4.31 0.00 2.87 2.89 0.00 0.00 6.73 7.71 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 96 F 8.38 4.05 0.00 3.32 3.35 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 97 F 8.75 4.10 0.00 3.40 3.30 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 98 L 8.53 4.25 0.00 1.81 1.75 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.10 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.51 3.84 1.70 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.36 0.79 0.00 0.00 101 N 7.97 4.50 0.00 2.46 2.69 0.00 0.00 7.23 6.71 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 0.00 102 A 7.62 3.67 1.24 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 0.00 103 V 7.27 4.16 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 0.83 0.00 0.00 1.02 0.00 0.00 104 P 0.00 4.53 0.00 2.19 2.18 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 105 C 7.72 4.61 0.00 3.19 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 0.00 106 P 0.00 4.72 0.00 2.24 2.29 0.00 3.76 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 2.12 2.17 0.00 107 T 8.50 5.91 4.36 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 1.42 0.00 0.00 108 K 8.33 4.28 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.82 0.00 0.00 2.34 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.75 7.81 109 F 8.22 5.27 0.00 2.94 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 0.00 110 F 8.29 4.65 0.00 2.70 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 0.00 111 T 8.42 4.70 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 1.22 0.00 0.00 112 S 7.69 4.60 0.00 3.89 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 0.00 113 E 8.65 3.78 0.00 2.01 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 2.31 2.33 0.00 114 R 7.88 3.86 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 115 D 8.25 4.36 0.00 2.92 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 0.00 116 A 7.55 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.85 3.87 0.00 1.77 1.68 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.71 3.86 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 0.00 119 W 8.42 4.31 0.00 3.63 3.43 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 0.00 120 L 8.20 3.79 0.00 1.84 1.68 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.45 4.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.14 4.18 0.00 1.40 1.52 0.90 1.22 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 0.00 123 T 7.55 4.02 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.