NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.7484 8.4293 117.3773 53.9469 30.3740 173.4552 4 E 4.3905 8.1395 113.2024 56.7187 30.1135 174.4528 5 H 4.6944 8.7635 116.8996 55.9589 30.1742 175.5031 6 C 4.2707 7.8981 118.5564 60.1124 29.0131 174.1396 7 C 4.1019 8.7370 124.6918 57.5223 39.2928 172.0958 8 S 4.5189 8.2976 118.7453 56.7472 66.0224 174.8297 9 E 3.5951 8.5893 120.3520 59.7906 28.9716 179.4622 10 E 3.8281 8.0476 117.3883 60.0054 29.6393 178.4412 11 D 4.2751 7.8557 117.9158 58.6453 40.8553 179.1569 12 H 4.0857 8.7462 115.5822 58.5018 28.7249 177.3959 13 R 3.8288 8.2463 121.8868 59.5538 29.6307 178.4174 14 I 3.6138 7.8667 119.6406 64.1513 37.1085 178.0684 15 V 2.8761 7.3997 118.8652 66.2017 30.9088 177.8466 16 Q 4.0138 8.2277 116.2863 59.0547 28.9355 178.9319 17 K 4.0940 8.0061 120.1670 59.8813 32.0747 178.8893 18 Q 4.1576 8.5636 118.5366 58.5868 28.8168 178.2540 19 W 4.4271 8.9594 129.4052 59.8260 30.2348 177.5005 20 D 4.2046 7.9259 118.2170 56.5684 40.1307 178.2520 21 I 3.6275 7.0955 119.7703 64.3127 37.8201 177.6032 22 L 3.6229 6.8087 119.2212 57.4973 41.1275 179.5456 23 W 5.2953 6.2439 115.5762 57.4002 29.1629 178.4848 24 R 4.1108 7.8912 120.3747 58.4162 30.1543 177.1602 25 D 4.9144 7.8169 116.9213 51.4626 41.1055 177.3923 26 T 3.9800 8.5318 111.7670 64.5920 68.9154 173.9283 27 E 4.3892 7.6550 122.4338 55.8303 29.5913 178.3848 28 S 4.0327 8.0635 116.9960 61.5586 63.0637 175.3804 29 S 3.9544 7.9740 117.3355 61.3723 62.4266 176.1401 30 K 3.8117 8.0840 123.3697 59.5872 31.7634 177.8690 31 I 3.9087 7.6727 119.9655 63.0187 36.9873 178.2483 32 K 4.0767 8.8443 119.3159 60.4708 32.0735 178.6398 33 I 3.7743 8.3133 120.3708 63.7568 36.8407 178.2822 34 G 4.1684 8.3980 106.1254 48.2286 0.0000 175.0705 35 F 4.3696 9.0435 123.6617 61.0338 39.5170 177.4519 36 G 3.6316 8.9307 105.6984 47.6247 0.0000 175.3543 37 R 3.8671 8.8802 122.1254 59.2245 30.1189 178.0808 38 L 3.9223 8.1616 120.1387 58.3067 42.2172 178.8078 39 L 3.7650 7.9163 118.9963 58.0103 41.5506 179.7595 40 L 4.3410 8.1831 118.6257 58.1455 41.5005 179.2795 41 T 3.9023 8.3101 115.9601 66.8425 68.6410 176.3049 42 K 3.8675 8.5756 121.3915 58.7355 32.0438 178.5105 43 L 4.1363 7.4913 119.4317 58.3750 42.0815 178.4213 44 A 4.1971 8.0511 119.1131 54.7681 18.2500 179.3293 45 K 4.0304 8.0746 117.9744 59.9920 32.4729 178.5352 46 D 4.8456 7.5759 115.7127 55.4997 41.2549 176.7313 47 I 4.4701 8.0163 120.4241 58.0446 39.2490 173.6192 48 P 4.3541 0.0000 0.0000 65.4156 31.0370 177.6631 49 E 4.0029 8.1993 115.3721 58.1807 29.5124 178.7054 50 V 3.5069 7.4661 120.1386 66.1523 30.5362 177.1904 51 N 4.2263 8.2643 116.5450 56.9669 37.8649 176.8935 52 D 4.5656 7.9898 119.2447 56.8124 40.7738 178.6911 53 L 4.0018 8.0812 119.5528 57.5033 42.0033 178.4750 54 F 5.0296 7.1950 112.8869 57.5956 38.7623 177.4645 55 K 3.9267 7.6301 121.4749 59.7234 31.7893 178.6100 56 R 3.9380 8.1406 117.1753 58.9177 29.7519 177.5062 57 V 4.3040 7.3771 109.7104 60.0896 33.8420 175.4091 58 D 4.3193 8.3633 116.1487 55.4632 39.7390 174.7980 59 I 2.6400 7.4188 117.8764 62.9841 38.7997 176.0199 60 E 3.9208 8.1469 120.2972 58.8699 29.6524 176.2390 61 H 4.5970 7.9101 117.0114 53.0632 28.1137 174.4412 62 A 3.9906 8.4364 126.6757 55.1048 18.2844 178.9648 63 E 4.3102 8.1731 109.9750 56.9917 30.5293 177.5595 64 G 3.7518 8.4862 109.7007 43.9593 0.0000 172.2252 65 P 4.2346 0.0000 0.0000 66.2495 30.5812 178.3185 66 K 3.8411 8.2092 117.8575 59.3611 31.8907 178.6138 67 F 4.4104 8.1989 119.7665 61.3037 39.6177 177.0901 68 S 3.8986 8.4735 114.9694 61.6456 62.6144 176.5880 69 A 3.8733 8.4884 123.3688 55.4369 18.1879 178.7891 70 H 3.8070 7.6956 115.0306 59.5547 29.8205 176.7539 71 A 3.5636 8.0440 122.9831 55.6818 17.6490 179.2189 72 L 3.8469 7.7848 116.9510 57.5129 41.4307 179.9132 73 R 3.8874 7.7780 118.4781 59.6996 30.4936 178.3994 74 I 3.6893 7.6758 118.2979 63.7724 38.1342 177.2299 75 L 4.1402 8.0242 120.9601 58.7400 41.9522 178.9407 76 N 4.6056 9.5534 117.3951 56.2310 38.7454 177.2647 77 G 3.6054 8.5523 108.0610 47.5873 0.0000 175.4118 78 L 3.9542 8.0458 122.4457 57.9160 41.9967 178.1769 79 D 4.4845 8.1482 117.5034 57.3510 41.0123 177.6623 80 L 3.9225 7.7980 119.5630 58.4308 42.3343 178.4530 81 A 4.1213 8.1706 120.3295 55.4976 18.3081 179.4995 82 I 3.4570 7.8118 117.7775 64.6346 37.0814 178.2067 83 N 4.6600 8.6981 114.3931 54.6236 38.1478 175.5755 84 L 4.6496 7.4772 119.9540 54.1994 42.4978 178.1701 85 L 3.5209 7.7153 120.4778 57.2069 42.1390 177.6083 86 D 4.5861 7.0213 119.5427 51.4748 40.4076 176.7780 87 D 5.3134 7.4922 127.6525 53.0709 43.3774 174.4013 88 P 4.1891 0.0000 0.0000 65.4856 31.6813 176.3483 89 P 4.1593 0.0000 0.0000 65.2400 30.9687 178.0524 90 A 3.9107 8.1721 120.5569 54.6558 18.3466 178.9987 91 L 3.8300 8.0828 119.0511 58.8824 42.0687 178.1544 92 D 4.2771 8.7910 117.6902 57.5062 41.0103 177.8826 93 A 3.9587 8.3833 120.3518 55.5216 17.9829 179.2538 94 A 3.9699 8.6718 119.2902 55.5572 18.2848 179.9536 95 L 3.9995 8.2863 117.5713 57.8009 41.8068 178.7704 96 D 4.3204 8.5092 118.4887 57.8574 41.1129 177.9034 97 H 4.1637 8.3905 118.3513 59.5703 29.7671 177.2103 98 L 4.1102 7.7127 119.2726 57.3899 41.2672 179.3853 99 A 4.8270 8.0089 122.4894 55.2346 17.8994 179.2253 100 H 4.0960 8.0884 114.5595 59.2870 28.6024 177.8512 101 Q 4.1762 8.0228 117.8449 58.0855 28.9156 177.1756 102 H 4.7244 7.7145 115.1855 56.2503 29.8684 176.4402 103 E 4.0205 8.2423 121.6679 59.5006 29.4706 178.1356 104 V 3.9689 7.3903 107.0208 61.9824 31.0161 177.1632 105 R 4.4841 7.5132 122.0480 53.6449 29.2631 174.9350 106 E 4.0121 8.1486 119.4836 57.2674 30.4211 177.0988 107 G 4.0141 8.8982 109.4369 46.1306 0.0000 174.1497 108 V 3.9505 7.3192 119.0063 62.2958 31.4002 175.0170 109 Q 4.7346 8.3036 124.9254 53.7129 31.6019 176.4442 110 K 3.7194 8.7975 118.3232 60.1172 32.1787 179.0459 111 A 4.0414 8.2270 119.9524 55.6630 17.9368 179.3679 112 H 4.3168 8.3393 114.7170 59.1930 28.8518 177.8976 113 F 4.0493 8.8661 119.5566 60.4699 38.9192 177.3071 114 K 3.9076 8.4646 118.8418 59.6919 31.7279 178.3304 115 K 3.9557 8.0808 118.9450 59.6553 32.2498 178.3504 116 F 4.1145 8.7864 121.5381 61.3035 39.0390 177.3534 117 G 3.6407 8.9525 105.4765 48.0094 0.0000 175.4500 118 E 3.9846 8.0843 121.4051 59.0225 29.4365 179.7432 119 I 3.6180 7.8806 119.8924 64.2672 37.1772 178.1878 120 L 3.6798 7.9427 121.3162 58.0467 41.6065 178.8700 121 A 4.0347 8.0468 119.8021 54.7479 18.3884 178.9595 122 T 4.2077 7.3278 113.1691 64.8324 69.1683 177.2043 123 G 3.7155 7.7267 108.0907 47.3738 0.0000 175.5456 124 L 3.7583 7.7030 122.5281 56.9488 41.4826 177.8463 125 P 3.8627 0.0000 0.0000 64.5802 31.0496 177.0174 126 Q 4.2239 8.0854 117.4756 56.8677 29.2583 176.4635 127 V 4.0948 7.7292 111.5300 60.7297 33.4898 175.5206 128 L 4.5544 7.3908 119.8206 52.4982 43.0190 176.1347 129 D 4.2908 8.7667 124.0779 55.2841 39.7306 175.5285 130 D 4.7716 7.9319 119.1934 52.3867 41.4068 174.3383 131 Y 4.8682 8.3865 126.9354 55.8679 41.8654 174.7653 132 D 4.6215 7.8254 126.4842 51.3794 41.0151 175.8775 133 A 3.6705 8.0589 126.4666 54.7494 18.6065 178.8797 134 L 3.9046 7.9166 116.3202 57.9382 41.7661 179.3740 135 A 3.8982 8.5220 120.7028 55.0485 18.2708 179.3962 136 W 3.9613 8.0470 117.1803 59.9365 29.2476 178.3519 137 K 3.9237 8.5325 119.5899 59.9359 31.1480 178.5653 138 S 4.1567 7.9906 114.8466 62.0031 62.8349 176.3181 139 C 4.2787 8.1159 118.7560 60.0887 37.9869 175.9471 140 L 3.9915 8.7341 121.2029 57.8620 41.1031 179.3938 141 K 4.0274 8.3627 119.4718 59.6366 32.3125 178.7129 142 G 3.8223 7.8413 105.2656 48.3821 0.0000 175.2215 143 I 3.7797 7.9524 121.8882 63.8933 36.9818 178.1282 144 L 4.2205 8.3442 119.9024 58.6609 42.0650 179.6798 145 T 3.9431 8.2621 115.4599 66.7121 68.2566 176.4953 146 K 3.8868 7.7742 120.0266 59.6624 32.3752 178.5694 147 I 3.9359 7.9167 120.5213 63.4302 37.1067 177.3321 148 S 4.2313 7.4384 112.6261 57.7222 62.8328 176.1006 149 S 4.2371 7.4805 113.5043 59.2224 62.0464 175.0410 150 R 4.4248 8.1885 121.0641 55.6330 31.5943 175.1876 151 L 4.0453 7.9862 121.4183 55.0786 42.5847 175.5859 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 *3 H 8.43 4.75 0.00 2.95 3.05 0.00 7.13 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.14 4.39 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 2.07 2.12 0.00 5 H 8.76 4.69 0.00 3.17 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 7.90 4.27 0.00 2.96 2.87 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 7 C 8.74 4.10 0.00 3.15 3.05 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 0.00 0.00 0.00 8 S 8.30 4.52 0.00 4.10 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 9 E 8.59 3.60 0.00 1.93 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 2.40 2.35 0.00 10 E 8.05 3.83 0.00 1.92 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 2.36 2.32 0.00 11 D 7.86 4.28 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.75 4.09 0.00 3.14 3.45 0.00 5.28 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.25 3.83 0.00 1.91 2.06 0.00 3.08 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 14 I 7.87 3.61 2.02 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 1.60 0.78 0.89 0.00 0.00 15 V 7.40 2.88 1.70 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 -0.45 0.00 0.00 0.10 0.00 0.00 16 Q 8.23 4.01 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 17 K 8.01 4.09 0.00 1.96 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 Q 8.56 4.16 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 19 W 8.96 4.43 0.00 3.72 3.33 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 20 D 7.93 4.20 0.00 3.01 2.66 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 21 I 7.10 3.63 1.76 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 1.26 0.68 0.81 0.00 0.00 22 L 6.81 3.62 0.00 0.27 0.13 -0.63 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 23 W 6.24 5.30 0.00 3.25 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 24 R 7.89 4.11 0.00 1.82 1.98 0.00 3.11 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 25 D 7.82 4.91 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.53 3.98 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 1.21 0.00 0.00 27 E 7.65 4.39 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 28 S 8.06 4.03 0.00 3.45 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 29 S 7.97 3.95 0.00 4.01 4.11 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 30 K 8.08 3.81 0.00 1.87 1.96 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.62 7.81 31 I 7.67 3.91 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 1.14 0.00 0.00 32 K 8.84 4.08 0.00 1.65 1.82 0.00 1.32 0.00 0.00 1.41 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.76 7.81 33 I 8.31 3.77 1.94 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 1.53 0.92 0.90 0.00 0.00 34 G 8.40 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 35 F 9.04 4.37 0.00 3.17 3.33 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 36 G 8.93 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.88 3.87 0.00 1.89 2.15 0.00 3.18 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 38 L 8.16 3.92 0.00 1.79 1.82 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.92 3.77 0.00 1.75 1.61 0.55 -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 0.00 0.00 0.00 0.00 40 L 8.18 4.34 0.00 2.04 1.92 0.52 0.75 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 41 T 8.31 3.90 4.45 0.00 0.00 0.00 0.00 0.00 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 42 K 8.58 3.87 0.00 1.80 1.86 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 43 L 7.49 4.14 0.00 2.23 2.08 1.04 1.03 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 44 A 8.05 4.20 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.03 0.00 1.82 1.96 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 D 7.58 4.85 0.00 2.78 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 47 I 8.02 4.47 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.98 0.00 0.00 48 P 0.00 4.35 0.00 2.26 2.31 0.00 3.73 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 2.08 2.03 0.00 49 E 8.20 4.00 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 50 V 7.47 3.51 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 0.78 0.00 0.00 0.72 0.00 0.00 51 N 8.26 4.23 0.00 2.95 2.88 0.00 0.00 7.09 8.31 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 52 D 7.99 4.57 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.00 0.00 1.13 1.44 0.71 0.94 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 54 F 7.20 5.03 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.63 3.93 0.00 2.02 1.87 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 56 R 8.14 3.94 0.00 1.88 2.03 0.00 3.46 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 57 V 7.38 4.30 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 0.77 0.00 0.00 1.08 0.00 0.00 58 D 8.36 4.32 0.00 2.86 2.66 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 59 I 7.42 2.64 1.79 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.23 0.96 0.00 0.00 60 E 8.15 3.92 0.00 1.94 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 2.25 2.30 0.00 61 H 7.91 4.60 0.00 3.61 3.24 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.44 3.99 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 E 8.17 4.31 0.00 2.13 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 0.00 2.30 2.27 0.00 64 G 8.49 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 0.00 0.00 0.00 65 P 0.00 4.23 0.00 2.28 2.37 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 66 K 8.21 3.84 0.00 1.83 2.16 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.49 7.81 67 F 8.20 4.41 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.47 3.90 0.00 4.02 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 69 A 8.49 3.87 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 70 H 7.70 3.81 0.00 3.20 3.20 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.04 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.78 3.85 0.00 1.88 1.60 0.85 0.80 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 73 R 7.78 3.89 0.00 1.84 1.94 0.00 3.15 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 74 I 7.68 3.69 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.77 0.00 0.00 75 L 8.02 4.14 0.00 1.97 1.91 1.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 76 N 9.55 4.61 0.00 2.81 2.93 0.00 0.00 7.12 7.79 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 77 G 8.55 3.61 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 0.00 0.00 0.00 78 L 8.05 3.95 0.00 1.87 2.06 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.15 4.48 0.00 3.21 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 80 L 7.80 3.92 0.00 1.71 1.98 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.17 4.12 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 82 I 7.81 3.46 1.73 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.66 0.00 0.00 83 N 8.70 4.66 0.00 2.82 2.93 0.00 0.00 6.97 8.37 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 84 L 7.48 4.65 0.00 1.81 1.62 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.72 3.52 0.00 1.69 1.40 0.74 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.02 4.59 0.00 2.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.49 5.31 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 4.19 0.00 2.29 2.30 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 89 P 0.00 4.16 0.00 2.28 2.35 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.04 0.00 90 A 8.17 3.91 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 91 L 8.08 3.83 0.00 1.87 1.83 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.79 4.28 0.00 2.99 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 93 A 8.38 3.96 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 94 A 8.67 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.00 0.00 1.84 1.73 0.92 0.82 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 96 D 8.51 4.32 0.00 2.75 2.87 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 97 H 8.39 4.16 0.00 3.36 3.54 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.71 4.11 0.00 2.03 1.77 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.01 4.83 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 0.00 100 H 8.09 4.10 0.00 3.33 3.33 0.00 5.62 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 0.00 101 Q 8.02 4.18 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 102 H 7.71 4.72 0.00 3.44 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.24 4.02 0.00 1.96 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 0.00 2.33 2.28 0.00 104 V 7.39 3.97 2.09 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 0.74 0.00 0.00 0.99 0.00 0.00 105 R 7.51 4.48 0.00 1.98 1.85 0.00 3.30 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 106 E 8.15 4.01 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 107 G 8.90 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 0.00 108 V 7.32 3.95 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 1.07 0.00 0.00 0.94 0.00 0.00 109 Q 8.30 4.73 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.58 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 110 K 8.80 3.72 0.00 1.79 1.91 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 111 A 8.23 4.04 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 0.00 112 H 8.34 4.32 0.00 3.66 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.87 4.05 0.00 3.24 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.46 3.91 0.00 1.90 2.09 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.59 7.81 115 K 8.08 3.96 0.00 2.15 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.65 7.81 116 F 8.79 4.11 0.00 3.06 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 0.00 117 G 8.95 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 0.00 118 E 8.08 3.98 0.00 2.23 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 2.36 2.60 0.00 119 I 7.88 3.62 1.71 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 1.35 0.84 0.72 0.00 0.00 120 L 7.94 3.68 0.00 1.29 1.68 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.05 4.03 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 0.00 122 T 7.33 4.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 123 G 7.73 3.72 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 0.00 0.00 0.00 124 L 7.70 3.76 0.00 0.89 1.08 0.26 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 3.86 0.00 1.93 1.25 0.00 3.20 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 126 Q 8.09 4.22 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 127 V 7.73 4.09 1.80 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 0.55 0.00 0.00 0.49 0.00 0.00 128 L 7.39 4.55 0.00 1.51 1.55 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.77 4.29 0.00 2.77 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 0.00 130 D 7.93 4.77 0.00 2.66 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 0.00 131 Y 8.39 4.87 0.00 2.75 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 0.00 132 D 7.83 4.62 0.00 2.81 2.50 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 0.00 133 A 8.06 3.67 1.43 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 0.00 0.00 134 L 7.92 3.90 0.00 1.83 1.73 0.92 1.05 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 0.00 135 A 8.52 3.90 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 0.00 136 W 8.05 3.96 0.00 3.23 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 3.92 0.00 1.98 1.90 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.59 7.81 138 S 7.99 4.16 0.00 4.15 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 0.00 139 C 8.12 4.28 0.00 2.94 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 0.00 140 L 8.73 3.99 0.00 1.88 1.89 1.20 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.36 4.03 0.00 1.99 2.03 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 142 G 7.84 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 0.00 143 I 7.95 3.78 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.96 0.00 0.00 144 L 8.34 4.22 0.00 1.78 2.07 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.26 3.94 4.43 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 1.19 0.00 0.00 146 K 7.77 3.89 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 147 I 7.92 3.94 2.19 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 1.00 0.00 0.00 148 S 7.44 4.23 0.00 3.33 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.48 4.24 0.00 3.94 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 0.00 150 R 8.19 4.42 0.00 1.62 1.80 0.00 2.98 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 151 L 7.99 4.05 0.00 1.51 1.45 0.77 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.