NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.2421 8.4293 121.4639 55.3839 31.5840 175.7054 15 E 4.3587 7.5196 114.6719 53.8691 31.9220 173.7843 16 D 4.0024 8.6671 117.9602 53.5403 44.7359 177.6627 17 A 3.0480 8.0671 131.4971 54.6046 18.5279 178.7430 18 S 4.4108 7.9851 108.3284 60.0489 63.2488 174.5676 19 Q 4.4358 6.8106 115.4989 54.8449 30.0615 174.7052 20 L 3.0578 7.3126 115.7030 55.5783 39.9545 175.4470 21 I 3.9861 6.9497 120.4108 59.9421 36.3497 175.1873 22 F 5.1165 7.9844 123.2986 54.2096 41.8050 174.0297 23 P 4.5840 0.0000 0.0000 62.3196 31.9393 177.4904 24 K 3.9550 9.0215 120.8913 61.0517 32.5122 178.6197 25 E 3.9495 8.2956 115.0029 58.2001 29.9135 180.2481 26 F 4.4907 7.7644 120.6597 56.5872 37.2712 174.8668 27 E 4.5254 7.8166 118.5378 57.8452 32.6888 178.8554 28 T 4.2113 7.9443 109.9076 62.2156 67.4388 173.8545 29 A 4.5245 7.3623 122.2449 51.5179 20.2527 176.3714 30 E 4.7335 8.3388 119.7583 54.3363 32.2975 175.9496 31 T 4.3862 8.2768 114.8405 61.0086 70.1614 173.8606 32 L 4.9634 8.0155 121.7607 52.3923 45.0025 177.4232 33 L 4.3523 9.0287 123.5557 54.4495 43.5817 178.1530 34 N 4.3734 9.1994 119.5944 56.7656 38.4823 178.1662 35 S 4.2767 7.9954 117.3432 61.1585 62.9723 176.3821 36 E 4.0074 8.0855 120.8174 59.2324 29.2565 179.2357 37 V 3.5973 8.1609 118.7152 66.3660 31.5617 177.3659 38 H 4.1501 8.5219 118.0835 59.6393 29.7533 176.9655 39 M 3.9842 8.1082 120.1547 58.4214 31.8411 178.6447 40 L 4.0445 8.1525 119.2060 58.0680 41.9067 179.7886 41 L 4.3258 8.4634 119.1563 57.6957 41.5337 179.1904 42 E 4.0202 8.3336 119.6577 59.4280 29.5373 178.4223 43 H 4.2219 8.2692 118.1806 59.2623 29.9907 177.2147 44 R 3.8550 8.1347 120.5836 59.0991 29.8109 178.5338 45 K 3.8843 8.3199 121.9334 60.2702 32.3333 179.3201 46 Q 4.1254 7.9797 120.8026 60.5065 27.6343 180.8755 47 Q 4.0970 7.7311 118.4693 58.8913 28.8803 177.8284 48 N 4.7379 7.9005 120.6385 57.3669 39.0430 176.6184 49 E 3.9921 8.6224 119.1108 60.6314 29.8899 180.3661 50 S 4.3968 8.0846 114.3687 57.9566 64.0962 174.2473 51 A 3.5469 8.5429 122.2570 53.4727 14.6818 177.2061 52 E 4.1854 8.0285 118.8325 56.7773 31.1150 176.5326 53 D 4.6800 9.7060 111.3757 55.2787 36.5280 170.4095 54 E 4.5559 8.0229 122.8682 55.8886 32.5608 174.9358 55 Q 4.1249 8.6848 124.9807 54.6847 28.7569 172.8626 56 E 4.1232 8.4767 116.9831 56.4520 29.9953 176.8719 57 L 4.1258 8.0344 120.3144 54.2024 42.6230 177.5335 58 S 4.4848 8.2126 115.1617 57.9998 65.1406 174.8651 59 E 3.9771 8.6303 122.6206 59.3553 29.4531 178.8097 60 V 3.6120 7.8922 117.9152 66.6796 31.5404 176.8443 61 F 4.0922 8.4813 120.2034 60.7902 39.0813 176.5264 62 M 3.8208 8.7453 117.2114 58.9655 32.3590 179.0939 63 K 4.0063 8.4692 118.7258 59.8981 32.1669 179.5574 64 T 3.9609 7.7927 115.9917 66.1962 68.4344 176.7013 65 L 3.7654 7.9657 122.8398 58.1597 42.0102 178.9005 66 N 4.3282 8.1889 116.3905 56.2579 38.3334 176.8826 67 Y 4.0861 8.0031 119.9356 60.9238 39.3584 177.6026 68 T 3.9294 8.2732 113.8153 65.1413 67.4020 175.6007 69 A 3.5349 7.6719 122.1799 55.2313 18.2414 179.4344 70 R 3.6150 7.8039 116.0554 58.5576 29.9391 176.9634 71 F 4.5673 7.0178 113.6862 56.7145 39.9925 175.0578 72 S 4.1878 8.2324 118.3445 58.4152 62.5839 174.8490 73 R 3.9233 8.3471 126.0045 56.5636 30.6132 175.3964 74 F 4.9705 7.2597 118.9982 55.9258 38.7367 176.6823 75 K 4.0199 8.2491 126.5738 55.6309 32.1429 175.8265 76 N 5.0087 7.5788 116.4342 52.3663 41.4992 174.6619 77 R 3.8870 8.6034 127.7963 59.9714 30.2004 178.4004 78 E 3.9539 8.2634 117.3970 59.7118 29.4903 179.1868 79 T 3.8529 8.6192 116.0309 66.9194 68.6095 176.1982 80 I 3.4435 7.8970 121.2590 64.5920 37.1012 178.2267 81 A 3.9640 7.7022 121.0173 55.1104 18.1306 179.8102 82 S 4.1764 7.9252 114.1628 60.8991 62.9787 176.8817 83 V 3.3209 7.6494 121.8378 65.5677 31.1735 177.6211 84 R 3.7745 7.7694 118.5730 59.6200 29.7339 178.5003 85 S 4.0588 8.3253 114.0662 61.3155 62.7755 175.6096 86 L 3.9201 7.8728 123.4355 58.2546 41.9893 178.8738 87 L 4.0954 7.9397 118.4388 57.3514 41.3254 178.9235 88 L 3.9759 7.9654 120.4441 58.2612 41.9490 178.5970 89 Q 4.4425 7.6494 114.4888 55.5903 29.9301 175.2602 90 K 4.6600 7.8279 123.1707 55.6728 35.2652 177.3589 91 K 4.4124 8.8168 127.6708 54.9035 29.3670 174.0929 92 L 5.1794 7.5838 122.0802 52.4135 45.8316 176.6542 93 H 4.6747 9.1989 120.9890 55.3898 32.0201 176.5322 94 K 3.9967 8.9010 126.8299 59.8851 31.9099 178.9910 95 F 3.9321 8.2367 119.9653 61.4109 39.5040 176.7520 96 E 4.0119 8.3642 117.7540 59.4832 29.2524 178.8178 97 L 3.8972 8.6018 120.3105 58.2578 42.2495 178.8050 98 A 3.9580 7.8553 120.0755 55.3909 18.2757 179.2051 99 C 3.9126 8.0524 117.2742 62.4137 31.5508 175.8400 100 L 3.9924 8.0072 120.5619 57.6217 40.9822 179.3068 101 A 4.1581 7.7907 119.9162 55.1393 18.3864 179.2831 102 N 4.4402 8.0463 114.0142 56.5257 38.8536 177.3917 103 L 4.0680 7.9723 118.0496 55.0099 43.1419 176.8320 104 C 4.2827 8.0577 116.2318 59.9214 25.9362 170.9501 105 P 4.4757 0.0000 0.0000 63.1114 31.9936 176.5848 106 E 4.5422 9.6179 118.2672 56.6901 31.1479 177.1286 107 T 5.5023 7.8757 109.6418 57.7828 73.1237 174.3095 108 A 3.9675 8.7749 124.4632 55.6454 18.3323 179.3435 109 E 3.8779 8.2626 117.0182 59.5424 29.5285 178.1595 110 E 3.8821 8.1977 118.8376 59.5983 29.6431 178.6420 111 S 4.1033 8.5757 113.0621 61.8449 62.3053 176.5233 112 K 3.9903 8.8534 120.8457 59.2113 31.5329 179.2036 113 A 3.9798 7.9327 120.3478 55.3256 18.4615 179.4237 114 L 4.1961 8.1013 116.2506 56.6238 43.3327 178.0639 115 I 4.6156 7.7973 119.6926 57.9870 37.1219 174.0005 116 P 4.8610 0.0000 0.0000 64.8131 31.4216 179.6696 117 S 4.1468 8.0994 112.1906 60.7782 63.1535 175.3392 118 L 4.1915 8.4314 121.4495 56.4974 41.6662 176.6816 119 E 4.0927 7.9823 120.2198 57.8060 29.6949 177.1823 120 G 3.9164 8.8688 112.7998 45.9493 0.0000 174.2379 121 R 3.7463 7.9393 120.4777 58.1825 30.1904 176.1333 122 F 5.0195 7.5247 113.0513 54.4797 43.3616 174.0945 123 E 4.1992 8.7419 122.1958 55.9777 31.3435 176.8457 124 D 4.4497 8.8543 125.9473 57.8843 40.7291 179.1138 125 E 3.9212 8.2536 116.8904 59.6619 29.7713 178.8227 126 E 4.0286 8.0324 118.2643 59.2754 29.8952 178.2267 127 L 3.6025 8.1474 120.6933 58.2631 42.0847 178.7481 128 Q 4.0405 8.6983 119.4209 58.6577 28.8194 178.2432 129 Q 3.9423 8.0255 119.5957 58.9763 28.8183 178.4452 130 I 3.6242 7.5268 120.2617 64.2278 37.1866 178.2497 131 L 3.9689 7.8378 119.6662 58.0959 41.3056 179.3030 132 D 4.4242 7.9273 117.1562 57.5040 41.1066 178.4555 133 D 4.5117 8.4571 119.6220 57.3383 40.8033 178.5431 134 I 3.7345 7.8043 120.2497 64.8731 37.1145 178.0892 135 Q 4.0730 8.2177 118.4395 59.8233 28.3725 179.7608 136 T 4.0033 7.6664 115.1323 66.6701 68.5616 176.4642 137 K 4.2932 8.2361 119.2398 57.5298 32.4715 177.9411 138 R 3.6244 7.2384 117.5394 57.2828 30.6979 177.7681 139 S 4.6296 8.2214 121.1398 56.2357 61.3241 173.2860 140 F 3.9267 8.2911 124.1872 58.6170 40.3041 177.3105 141 Q 4.5138 8.2316 119.9731 54.8336 29.1289 174.1257 *142 Y 4.4236 7.6279 122.0382 57.0246 37.6080 176.7304 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 14 E 8.43 4.24 0.00 1.93 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 2.17 2.29 0.00 15 E 7.52 4.36 0.00 2.18 1.86 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 2.15 2.29 0.00 16 D 8.67 4.00 0.00 2.57 2.37 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 17 A 8.07 3.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.99 4.41 0.00 3.97 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 19 Q 6.81 4.44 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 20 L 7.31 3.06 0.00 1.78 1.92 1.11 0.75 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 21 I 6.95 3.99 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.86 0.00 0.00 22 F 7.98 5.12 0.00 3.03 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 23 P 0.00 4.58 0.00 2.38 2.29 0.00 3.95 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.10 0.00 24 K 9.02 3.95 0.00 2.17 2.03 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.02 7.81 25 E 8.30 3.95 0.00 2.00 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 2.25 1.95 0.00 26 F 7.76 4.49 0.00 3.08 3.01 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 27 E 7.82 4.53 0.00 1.83 1.86 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 2.19 1.82 0.00 28 T 7.94 4.21 4.22 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 1.15 0.00 0.00 29 A 7.36 4.52 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 30 E 8.34 4.73 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 31 T 8.28 4.39 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 32 L 8.02 4.96 0.00 1.63 1.60 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.03 4.35 0.00 1.71 1.66 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.20 4.37 0.00 2.75 2.90 0.00 0.00 7.18 7.12 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 35 S 8.00 4.28 0.00 4.01 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 36 E 8.09 4.01 0.00 2.16 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 2.40 2.38 0.00 37 V 8.16 3.60 2.32 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 1.05 0.00 0.00 1.00 0.00 0.00 38 H 8.52 4.15 0.00 3.34 3.53 0.00 5.84 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 39 M 8.11 3.98 0.00 2.13 2.30 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 2.63 2.59 0.00 40 L 8.15 4.04 0.00 1.89 1.79 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.46 4.33 0.00 1.60 1.52 0.74 0.96 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 42 E 8.33 4.02 0.00 2.14 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 0.00 2.30 2.38 0.00 43 H 8.27 4.22 0.00 3.34 3.51 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.13 3.85 0.00 2.05 2.24 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 45 K 8.32 3.88 0.00 2.18 2.09 0.00 1.90 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.53 7.81 46 Q 7.98 4.13 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 47 Q 7.73 4.10 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 48 N 7.90 4.74 0.00 2.56 2.87 0.00 0.00 7.03 7.55 0.00 0.00 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 E 8.62 3.99 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 50 S 8.08 4.40 0.00 3.98 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 51 A 8.54 3.55 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 52 E 8.03 4.19 0.00 2.00 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 0.00 2.23 1.87 0.00 53 D 9.71 4.68 0.00 2.88 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 54 E 8.02 4.56 0.00 1.91 1.73 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 2.23 2.27 0.00 55 Q 8.68 4.12 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 56 E 8.48 4.12 0.00 2.32 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 2.28 1.91 0.00 57 L 8.03 4.13 0.00 1.56 1.30 -0.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.21 4.48 0.00 4.10 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 59 E 8.63 3.98 0.00 2.09 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 2.40 2.40 0.00 60 V 7.89 3.61 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 1.02 0.00 0.00 0.96 0.00 0.00 61 F 8.48 4.09 0.00 3.22 3.24 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 62 M 8.75 3.82 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.76 0.00 63 K 8.47 4.01 0.00 1.90 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 64 T 7.79 3.96 4.22 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 1.22 0.00 0.00 65 L 7.97 3.77 0.00 1.02 1.66 0.85 0.71 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 66 N 8.19 4.33 0.00 2.85 2.84 0.00 0.00 6.69 6.93 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 67 Y 8.00 4.09 0.00 3.03 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 68 T 8.27 3.93 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 69 A 7.67 3.53 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 70 R 7.80 3.62 0.00 1.56 1.90 0.00 2.98 0.00 0.00 2.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 71 F 7.02 4.57 0.00 2.69 2.71 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 72 S 8.23 4.19 0.00 3.89 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 73 R 8.35 3.92 0.00 0.67 1.15 0.00 2.98 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.27 0.00 74 F 7.26 4.97 0.00 3.28 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 75 K 8.25 4.02 0.00 1.68 1.72 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.25 7.81 76 N 7.58 5.01 0.00 2.63 2.73 0.00 0.00 6.66 7.53 0.00 0.00 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 R 8.60 3.89 0.00 2.02 1.93 0.00 3.36 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 78 E 8.26 3.95 0.00 2.26 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 1.98 0.00 79 T 8.62 3.85 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 1.36 0.00 0.00 80 I 7.90 3.44 2.06 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 1.60 1.13 0.87 0.00 0.00 81 A 7.70 3.96 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 82 S 7.93 4.18 0.00 4.04 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 83 V 7.65 3.32 1.67 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 0.55 0.00 0.00 -0.05 0.00 0.00 84 R 7.77 3.77 0.00 1.89 2.12 0.00 3.18 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 85 S 8.33 4.06 0.00 4.04 4.08 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 86 L 7.87 3.92 0.00 1.71 2.00 0.90 0.91 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 87 L 7.94 4.10 0.00 1.72 1.69 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.97 3.98 0.00 1.80 1.91 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.65 4.44 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.37 0.00 0.00 0.00 0.00 0.00 2.71 2.37 0.00 90 K 7.83 4.66 0.00 1.82 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.23 1.63 7.81 91 K 8.82 4.41 0.00 1.81 1.64 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.04 7.81 92 L 7.58 5.18 0.00 1.74 1.66 0.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.20 4.67 0.00 3.33 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.90 4.00 0.00 1.96 1.94 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.58 7.81 95 F 8.24 3.93 0.00 2.76 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 96 E 8.36 4.01 0.00 2.39 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 0.00 2.59 2.58 0.00 97 L 8.60 3.90 0.00 1.69 1.84 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.86 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 8.05 3.91 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.01 3.99 0.00 1.92 1.70 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.79 4.16 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 0.00 102 N 8.05 4.44 0.00 2.66 2.82 0.00 0.00 7.09 7.19 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 0.00 103 L 7.97 4.07 0.00 1.68 1.69 0.89 0.84 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 0.00 104 C 8.06 4.28 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.48 0.00 2.18 2.06 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 106 E 9.62 4.54 0.00 1.93 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 2.27 2.22 0.00 107 T 7.88 5.50 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 1.22 0.00 0.00 108 A 8.77 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.26 3.88 0.00 2.05 1.97 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 2.40 2.40 0.00 110 E 8.20 3.88 0.00 2.10 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 2.32 2.35 0.00 111 S 8.58 4.10 0.00 4.02 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 0.00 112 K 8.85 3.99 0.00 2.03 2.01 0.00 1.67 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.57 7.81 113 A 7.93 3.98 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 0.00 114 L 8.10 4.20 0.00 1.63 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.80 4.62 1.94 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 1.42 0.71 1.03 0.00 0.00 116 P 0.00 4.86 0.00 2.22 2.35 0.00 4.00 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 117 S 8.10 4.15 0.00 4.09 4.08 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 0.00 118 L 8.43 4.19 0.00 1.91 1.92 1.01 0.98 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 0.00 119 E 7.98 4.09 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 120 G 8.87 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 0.00 121 R 7.94 3.75 0.00 1.64 0.96 0.00 3.07 0.00 0.00 2.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.00 122 F 7.52 5.02 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 0.00 123 E 8.74 4.20 0.00 2.15 1.86 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 2.41 2.49 0.00 124 D 8.85 4.45 0.00 2.78 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 0.00 125 E 8.25 3.92 0.00 1.95 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 2.34 2.36 0.00 126 E 8.03 4.03 0.00 2.09 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 0.00 2.30 2.38 0.00 127 L 8.15 3.60 0.00 1.80 1.82 0.80 0.91 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 0.00 128 Q 8.70 4.04 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 129 Q 8.03 3.94 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 130 I 7.53 3.62 1.81 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.80 0.00 0.00 131 L 7.84 3.97 0.00 1.86 1.71 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 132 D 7.93 4.42 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.46 4.51 0.00 2.86 2.71 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 0.00 134 I 7.80 3.73 2.11 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 1.53 0.85 1.12 0.00 0.00 135 Q 8.22 4.07 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 136 T 7.67 4.00 4.52 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 1.25 0.00 0.00 137 K 8.24 4.29 0.00 2.03 2.03 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.54 7.81 138 R 7.24 3.62 0.00 2.04 1.35 0.00 2.72 0.00 0.00 2.87 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 139 S 8.22 4.63 0.00 3.94 3.86 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 0.00 140 F 8.29 3.93 0.00 2.92 3.07 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 0.00 141 Q 8.23 4.51 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 *142 Y 7.63 4.42 0.00 2.07 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.