NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4139 8.3344 116.7941 58.5821 64.5822 173.2029 0 N 4.3354 8.3847 123.5636 55.5273 39.8762 172.8917 1 A 5.1382 9.0655 124.8858 50.3038 22.0693 173.9340 2 I 4.7473 8.6761 124.1426 60.0390 39.6767 174.7940 3 L 4.6927 8.7547 130.1197 53.8737 43.8549 175.3793 4 V 4.8005 8.7178 127.1601 60.1717 32.5812 171.5034 5 P 5.0639 0.0000 0.0000 62.2457 32.1714 175.8737 6 I 4.7224 9.1463 123.8808 59.5601 41.2396 174.2748 7 D 4.7688 8.9192 127.0886 53.0708 40.5668 176.6335 8 I 4.0358 7.8869 120.7927 62.6747 37.8524 177.3164 9 S 4.2966 8.3012 115.3080 59.6882 63.3510 172.3621 10 D 4.4800 7.7880 122.5480 53.5105 40.0861 176.2322 11 K 3.9896 8.5233 125.2924 58.5429 32.3602 176.2349 12 E 4.6616 7.8934 118.1319 53.7450 31.4493 175.0782 13 F 4.5111 8.7752 128.4144 58.4786 40.3664 175.9356 14 T 3.9549 7.1322 120.7565 60.8387 65.4792 174.7306 15 E 3.9652 8.1200 126.2503 58.7466 29.5732 178.1413 16 R 4.1689 7.7401 116.7482 57.6818 30.2419 178.1528 17 I 3.9295 7.5956 113.3921 63.1380 37.6543 178.2449 18 I 3.3423 7.5936 122.6080 64.3587 36.8563 178.2984 19 S 4.2561 7.9805 114.5151 61.8565 62.6881 176.0500 20 H 4.1179 7.7999 119.9262 58.4649 28.3953 177.9168 21 V 3.6568 8.2292 120.2061 66.1064 31.5275 177.8271 22 E 4.0660 8.5456 118.3792 59.6409 29.1214 179.6679 23 S 4.1230 8.0983 113.8457 61.7538 62.8583 176.2609 24 E 4.1044 8.5133 121.2705 59.4327 29.2385 179.3694 25 A 4.0239 8.3272 120.9607 55.1553 18.2110 179.8414 26 R 4.0201 7.7407 115.3580 58.7125 30.1222 178.9246 27 I 3.9556 7.2472 119.0943 63.8643 37.1754 176.8179 28 D 4.8063 7.4876 114.8920 53.0167 42.2142 175.1866 29 D 4.2974 8.4035 116.0321 54.4383 39.5309 173.1315 30 A 4.3239 7.5738 118.5238 52.4925 19.5617 178.3408 31 E 4.3207 9.3218 119.3996 55.9453 31.0363 176.0829 32 V 4.3230 8.6028 125.0518 61.4553 33.4343 174.5595 33 H 4.7715 9.0605 126.4732 54.1261 30.7062 173.6913 34 F 4.9129 8.7516 123.8319 56.4965 40.6677 174.9860 35 L 5.4501 8.8660 124.4442 53.5889 45.5909 174.8945 36 T 5.1479 8.9820 119.6862 59.1356 70.9151 172.3419 37 V 4.8524 8.5612 127.8243 61.2242 33.6969 175.0307 38 I 4.3911 8.6807 123.0663 58.3130 38.1447 172.8810 39 P 4.6207 0.0000 0.0000 62.8973 32.7927 175.9161 40 S 4.7926 8.0787 119.3541 56.6878 63.8770 174.7107 *57 G 3.8943 7.7803 118.9490 45.7112 0.0000 172.8885 *59 D 4.5280 8.7064 121.4478 54.1547 42.7451 177.1855 60 E 3.9305 8.0938 118.6998 59.2241 29.5968 178.6503 61 L 3.9825 8.0014 119.0562 57.8060 41.6138 179.7054 62 R 3.9123 7.9095 117.5153 59.2873 30.1098 178.6089 63 E 4.0066 8.4298 119.2949 59.2277 29.6591 179.1190 64 G 3.5990 8.3618 105.9742 47.6904 0.0000 176.0023 65 S 4.1463 8.2774 117.6056 61.4062 62.7704 176.2734 66 E 3.9389 8.3935 122.1704 59.5524 29.3729 178.9819 67 T 3.7140 7.9584 115.7245 66.7924 68.5361 176.6699 68 Q 3.9541 8.0843 119.9114 58.6990 28.6920 178.6104 69 L 3.9289 7.9944 121.4632 58.1106 41.9537 179.2244 70 K 3.4072 7.7574 117.5597 59.0981 31.9566 178.9397 71 E 4.0050 7.9993 119.0250 59.3387 29.3503 179.3489 72 I 3.4568 7.7098 119.6261 64.2509 37.1631 178.3420 73 A 3.6447 7.8338 121.1569 54.4876 17.8291 179.5675 74 K 4.0759 7.4565 116.2159 58.9013 32.1296 178.8333 75 K 4.1685 8.2101 117.5926 56.7741 32.3749 176.6069 76 F 4.9386 7.9623 118.6506 55.8155 40.5924 176.5965 77 S 4.5911 9.5202 121.6020 56.9833 60.6453 172.4060 78 I 4.7736 7.6129 123.1812 57.9440 41.4015 173.7561 79 P 4.4362 0.0000 0.0000 62.5372 31.8981 177.3479 80 E 4.0582 8.9166 121.7270 59.5799 29.5516 178.5134 81 D 4.4374 8.1206 116.8006 55.6578 40.2642 177.1991 82 R 4.7176 7.5553 121.2536 54.1907 28.8872 174.7743 *84 H 4.6954 7.5298 116.1171 55.5091 31.1273 173.5903 85 F 5.2537 8.5807 118.8500 56.1066 42.2936 174.4072 86 H 5.0192 9.3245 118.8778 54.1913 33.1260 172.4004 87 V 5.0124 8.6877 122.0541 61.1285 33.9435 174.0953 88 A 4.9634 8.9962 127.9996 50.1826 23.2355 174.0731 89 E 4.9269 8.8581 117.3673 54.5944 32.3906 175.1087 90 G 3.9709 8.6021 109.4978 44.4910 0.0000 175.7714 91 S 4.2457 8.8450 119.9949 57.1623 63.3509 172.4632 92 P 4.2684 0.0000 0.0000 65.6423 31.2442 178.7413 93 K 4.0092 8.0845 117.0576 60.1225 32.3888 178.7741 94 D 4.3081 7.8532 120.0609 57.1179 40.7941 178.9248 95 K 4.0053 8.1665 118.9769 59.0823 31.9641 179.5033 96 I 3.6775 8.1451 120.6858 64.5740 37.2070 178.4932 97 L 3.9583 8.1088 119.4663 57.6109 41.4131 179.4470 98 A 3.9793 8.2531 121.0790 55.0987 18.2559 179.4893 99 L 4.0238 8.3033 119.9671 57.4717 42.1108 178.8185 100 A 3.9123 8.1844 121.0323 55.0664 18.0102 179.5805 101 K 3.9173 7.7735 117.3123 59.4903 32.5053 178.9197 102 S 4.2979 8.1715 114.4266 60.7389 62.9347 176.1882 103 L 3.8921 7.7785 122.5189 56.2934 41.7982 175.9992 104 P 4.5950 0.0000 0.0000 61.7531 32.5466 175.4571 105 A 4.3524 8.3659 123.7060 52.2800 19.0721 177.5721 106 D 4.6975 8.8589 121.4510 55.7125 42.0702 176.8374 107 L 4.7780 7.6606 119.4341 53.6133 45.9406 174.1460 108 V 4.7889 8.6312 125.4946 61.1530 34.2159 174.1333 109 I 5.0694 8.5336 128.8738 59.5481 38.9435 175.1251 110 I 4.7855 8.7153 120.3074 58.8215 40.9639 174.9781 111 A 4.6342 8.6507 126.4191 51.6406 18.9647 177.7936 112 S 4.1239 8.6443 114.7097 61.4833 63.2108 173.9040 113 H 4.7165 7.1800 113.1159 54.5377 30.4994 173.2662 114 R 4.1507 8.1977 118.4946 55.4893 30.3264 176.5665 115 P 4.3039 0.0000 0.0000 65.3141 31.4797 176.7504 116 D 4.7169 8.0335 116.1023 52.9976 39.8513 175.8268 117 I 4.5299 7.6311 121.1438 60.1674 38.3451 175.1855 118 T 4.3992 8.2612 113.7452 61.3498 69.9087 175.9704 119 T 3.7985 7.9240 119.1671 66.0551 68.5222 173.7634 120 Y 4.7260 6.8548 116.9842 55.8133 39.7442 176.0547 121 L 4.2267 8.7620 125.1941 56.7519 42.1485 177.4385 122 L 4.9678 7.7544 117.3677 52.5086 44.8654 176.6268 123 G 3.9216 9.0896 113.1241 44.7411 0.0000 174.7329 124 S 4.0530 8.4096 114.1742 61.3399 62.8112 176.4090 125 N 4.3107 8.0679 119.3719 55.8281 38.4966 176.9078 126 A 3.9661 8.0562 121.5001 55.2479 18.5542 179.3895 127 A 3.9144 8.2236 118.9204 55.2900 18.4255 179.7362 128 A 4.0062 7.9358 119.2690 55.3061 18.4705 180.1112 129 V 3.5559 8.0855 117.2020 66.0364 31.4119 178.6537 130 V 3.6408 7.7317 118.0104 64.8078 31.2221 178.0882 131 R 3.9824 7.8160 118.2505 58.8646 30.1151 177.2991 132 H 4.6155 8.1837 112.9325 54.9618 29.8438 175.4408 133 A 4.1899 7.3588 123.9156 52.2663 18.7021 177.4656 134 E 4.2189 8.6384 119.1474 57.3237 30.1547 175.8541 135 C 4.8658 7.4941 112.7449 55.8146 32.8751 173.6374 136 S 4.3746 8.4529 114.1765 58.8599 63.7348 173.9505 137 V 4.8025 8.1129 121.5679 61.1978 34.4326 174.2010 138 L 4.4655 9.0580 130.9389 53.5382 43.3879 175.3029 139 V 4.3988 8.3003 127.6983 62.1117 32.5004 175.0606 140 V 4.2666 8.6744 129.5004 61.2707 33.3004 176.1589 141 R 4.1344 8.1737 122.9985 56.5344 29.3331 174.6423 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 S 8.33 4.41 0.00 3.86 3.85 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 0 N 8.38 4.34 0.00 2.84 3.09 0.00 0.00 6.87 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 1 A 9.07 5.14 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 2 I 8.68 4.75 1.77 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 1.08 0.59 0.83 0.00 0.00 3 L 8.75 4.69 0.00 1.67 1.47 0.90 0.74 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 4 V 8.72 4.80 1.48 0.00 0.00 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 0.61 0.00 0.00 5 P 0.00 5.06 0.00 2.14 2.06 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 6 I 9.15 4.72 2.05 0.00 0.00 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 1.58 1.72 1.14 0.00 0.00 7 D 8.92 4.77 0.00 2.74 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 8 I 7.89 4.04 1.89 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 1.39 0.74 0.94 0.00 0.00 9 S 8.30 4.30 0.00 4.05 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 10 D 7.79 4.48 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 11 K 8.52 3.99 0.00 1.74 1.92 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 12 E 7.89 4.66 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 13 F 8.78 4.51 0.00 2.98 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 14 T 7.13 3.95 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 0.84 0.00 0.00 15 E 8.12 3.97 0.00 1.97 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 2.61 2.39 0.00 16 R 7.74 4.17 0.00 1.80 1.95 0.00 3.11 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 17 I 7.60 3.93 1.99 0.00 0.00 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 1.62 0.86 0.87 0.00 0.00 18 I 7.59 3.34 1.79 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 0.20 0.34 0.70 0.00 0.00 19 S 7.98 4.26 0.00 4.00 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 20 H 7.80 4.12 0.00 3.40 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.23 3.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.23 0.00 0.00 22 E 8.55 4.07 0.00 2.26 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 0.00 2.64 2.66 0.00 23 S 8.10 4.12 0.00 3.88 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 24 E 8.51 4.10 0.00 2.02 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 2.55 2.51 0.00 25 A 8.33 4.02 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 26 R 7.74 4.02 0.00 1.99 2.02 0.00 3.19 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 27 I 7.25 3.96 2.00 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 0.68 0.91 0.00 0.00 28 D 7.49 4.81 0.00 2.79 2.61 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 0.00 0.00 0.00 0.00 29 D 8.40 4.30 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.57 4.32 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 31 E 9.32 4.32 0.00 1.88 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 2.33 2.41 0.00 32 V 8.60 4.32 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 33 H 9.06 4.77 0.00 3.05 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.75 4.91 0.00 2.59 2.89 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 35 L 8.87 5.45 0.00 1.76 1.48 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.98 5.15 4.34 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 1.27 0.00 0.00 37 V 8.56 4.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 38 I 8.68 4.39 1.89 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 1.41 0.54 0.93 0.00 0.00 39 P 0.00 4.62 0.00 2.10 2.01 0.00 3.57 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 2.12 2.09 0.00 40 S 8.08 4.79 0.00 4.11 3.98 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 *57 G 7.78 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 *59 D 8.71 4.53 0.00 2.74 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 60 E 8.09 3.93 0.00 2.03 2.10 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 2.37 2.39 0.00 61 L 8.00 3.98 0.00 1.75 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.91 3.91 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 63 E 8.43 4.01 0.00 2.16 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 0.00 2.28 2.30 0.00 64 G 8.36 3.60 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 0.00 65 S 8.28 4.15 0.00 4.02 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 66 E 8.39 3.94 0.00 2.10 2.04 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 2.18 2.35 0.00 67 T 7.96 3.71 4.33 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 1.14 0.00 0.00 68 Q 8.08 3.95 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 69 L 7.99 3.93 0.00 1.91 1.84 1.02 0.65 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 70 K 7.76 3.41 0.00 1.50 1.38 0.00 1.39 0.00 0.00 1.27 0.00 0.00 2.51 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.55 7.81 71 E 8.00 4.00 0.00 2.06 1.91 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 2.45 2.42 0.00 72 I 7.71 3.46 1.82 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 1.07 0.58 0.36 0.00 0.00 73 A 7.83 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.46 4.08 0.00 1.81 1.88 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.65 7.81 75 K 8.21 4.17 0.00 1.72 1.72 0.00 1.42 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.42 1.44 7.81 76 F 7.96 4.94 0.00 3.19 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 77 S 9.52 4.59 0.00 3.83 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 78 I 7.61 4.77 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.94 0.00 0.00 79 P 0.00 4.44 0.00 2.30 1.98 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 80 E 8.92 4.06 0.00 1.97 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 0.00 2.35 2.28 0.00 81 D 8.12 4.44 0.00 2.79 2.82 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 82 R 7.56 4.72 0.00 1.99 2.01 0.00 3.55 0.00 0.00 3.36 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 *84 H 7.53 4.70 0.00 2.85 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.58 5.25 0.00 2.95 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 86 H 9.32 5.02 0.00 3.15 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.69 5.01 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 0.83 0.00 0.00 0.99 0.00 0.00 88 A 9.00 4.96 1.23 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 0.00 0.00 89 E 8.86 4.93 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 90 G 8.60 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 0.00 0.00 0.00 91 S 8.85 4.25 0.00 3.89 3.85 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 92 P 0.00 4.27 0.00 2.40 2.10 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 93 K 8.08 4.01 0.00 1.96 2.19 0.00 1.47 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 94 D 7.85 4.31 0.00 2.80 2.74 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 95 K 8.17 4.01 0.00 1.79 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.62 1.63 7.81 96 I 8.15 3.68 2.03 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 0.73 0.90 0.00 0.00 97 L 8.11 3.96 0.00 1.73 1.71 0.95 0.94 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 98 A 8.25 3.98 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 99 L 8.30 4.02 0.00 1.73 1.61 0.78 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.18 3.91 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 0.00 101 K 7.77 3.92 0.00 1.87 2.01 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.42 7.81 102 S 8.17 4.30 0.00 4.08 4.13 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 0.00 103 L 7.78 3.89 0.00 1.61 1.65 0.67 0.64 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 0.00 104 P 0.00 4.60 0.00 2.14 2.13 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 105 A 8.37 4.35 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 0.00 106 D 8.86 4.70 0.00 2.60 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 0.00 107 L 7.66 4.78 0.00 1.70 1.41 0.94 0.83 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 0.00 108 V 8.63 4.79 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 0.92 0.00 0.00 0.91 0.00 0.00 109 I 8.53 5.07 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.95 0.00 0.00 110 I 8.72 4.79 1.88 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 1.16 1.25 0.92 0.00 0.00 111 A 8.65 4.63 1.23 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 0.00 0.00 112 S 8.64 4.12 0.00 4.19 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 0.00 113 H 7.18 4.72 0.00 3.23 3.44 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.20 4.15 0.00 1.96 2.13 0.00 3.17 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.66 0.00 115 P 0.00 4.30 0.00 2.18 2.15 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 116 D 8.03 4.72 0.00 2.82 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 0.00 117 I 7.63 4.53 1.91 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 1.39 0.99 0.97 0.00 0.00 118 T 8.26 4.40 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 1.21 0.00 0.00 119 T 7.92 3.80 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 0.59 0.00 0.00 120 Y 6.85 4.73 0.00 2.89 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 0.00 121 L 8.76 4.23 0.00 1.68 1.78 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.75 4.97 0.00 1.61 1.55 0.94 0.90 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 0.00 123 G 9.09 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 0.00 124 S 8.41 4.05 0.00 4.00 4.02 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 0.00 125 N 8.07 4.31 0.00 2.76 2.90 0.00 0.00 7.02 7.16 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 0.00 126 A 8.06 3.97 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 0.00 127 A 8.22 3.91 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 0.00 128 A 7.94 4.01 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 0.00 129 V 8.09 3.56 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 1.04 0.00 0.00 0.97 0.00 0.00 130 V 7.73 3.64 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 0.87 0.00 0.00 0.92 0.00 0.00 131 R 7.82 3.98 0.00 1.90 1.98 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 132 H 8.18 4.62 0.00 3.29 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.36 4.19 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 0.00 134 E 8.64 4.22 0.00 1.96 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 2.28 2.28 0.00 135 C 7.49 4.87 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.45 4.37 0.00 3.79 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 0.00 137 V 8.11 4.80 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 0.77 0.00 0.00 0.97 0.00 0.00 138 L 9.06 4.47 0.00 1.76 1.53 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.30 4.40 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 0.78 0.00 0.00 0.92 0.00 0.00 140 V 8.67 4.27 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 0.79 0.00 0.00 0.79 0.00 0.00 141 R 8.17 4.13 0.00 1.85 1.74 0.00 3.11 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.