NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3322 8.4345 115.2856 58.4082 64.5661 174.7085 *3 H 4.3689 7.7863 117.3471 51.2211 28.8390 175.2605 4 P 4.3323 0.0000 0.0000 65.5737 31.7034 178.0782 5 D 4.4365 8.1797 117.5834 56.5926 40.6326 178.0007 6 L 3.8961 7.7657 120.9388 58.5564 41.7917 178.8269 7 N 4.5094 8.2519 118.0866 56.4371 38.3837 178.3144 8 K 4.0519 8.2144 125.7769 59.5894 31.7748 182.7545 9 L 4.2784 8.0010 121.4522 58.2372 41.7382 178.9911 10 L 3.9088 7.7962 117.7248 57.9113 41.5875 179.0890 11 E 4.2145 7.7900 118.0070 59.1742 29.6518 179.0348 12 L 4.2328 8.1670 119.2632 57.4299 41.7687 178.9559 13 W 4.1185 9.0527 129.1980 60.3442 30.5767 176.0556 14 P 4.3057 0.0000 0.0000 66.1081 30.8027 178.2832 15 H 4.2558 8.4375 114.9466 58.5058 28.4912 177.9667 16 I 3.5212 7.3702 121.3176 64.4304 36.9836 178.0484 17 Q 3.7756 7.9282 120.5564 59.1339 28.7526 178.2733 18 E 4.1453 7.8691 119.4199 59.3019 29.4782 178.5673 19 Y 4.1059 7.9943 119.7993 60.5123 38.8115 177.5881 20 Q 3.7246 8.2376 120.7593 59.1952 29.1545 177.8823 21 D 4.2842 7.9874 119.8436 57.5020 39.8199 178.7086 22 L 3.9818 7.8055 120.2947 57.9509 41.8664 178.8590 23 A 4.1051 7.6027 120.8331 54.5247 18.4091 179.3482 24 L 4.5747 8.2742 120.6252 57.7205 42.0408 178.9494 25 K 4.0766 8.4503 118.0839 58.4838 32.0107 176.5751 26 H 4.6646 7.2374 115.5533 55.8311 29.3438 174.8204 27 G 3.9086 8.3773 106.8855 45.4461 0.0000 173.9277 28 I 4.3895 7.9214 121.7448 59.4225 38.8241 175.8747 29 N 4.6914 8.5624 120.9600 52.8317 38.3074 174.7540 30 D 4.5001 7.5776 119.6445 53.2048 42.1428 175.0062 31 I 3.5053 9.1054 122.5518 63.3172 37.4235 177.7069 32 F 4.7491 7.9075 117.0552 57.3052 39.4969 174.7472 33 Q 4.5780 8.2732 123.9267 55.4854 30.3419 174.9893 34 D 4.1748 9.6879 124.1810 55.4690 38.7656 172.9919 35 N 4.2523 8.3372 111.3972 54.4728 36.1935 177.2158 36 G 3.7572 8.2053 107.0132 48.1728 0.0000 175.8334 37 G 3.8195 8.2338 107.2666 47.4305 0.0000 175.5716 38 K 4.1164 7.6983 119.9028 59.1348 32.3812 178.7342 39 L 3.9547 8.1420 120.9472 58.2963 41.6901 178.9255 40 L 3.8596 7.8271 119.8283 58.0999 42.0126 178.8006 41 Q 3.9857 8.0340 117.9107 59.1111 28.6353 179.2351 42 V 3.4872 7.7778 118.4855 65.8583 31.5272 177.7891 43 L 3.8941 7.8850 118.5527 58.0024 41.3431 179.5474 44 L 3.8973 7.8929 117.6631 57.6724 41.5147 179.5978 45 I 3.8672 7.4106 119.3523 64.2390 37.3584 177.8909 46 T 4.2166 7.9251 107.9598 61.7107 69.0413 175.6299 47 G 3.8487 8.0641 109.9062 46.0357 0.0000 173.5081 48 L 4.5302 7.1630 117.5941 54.0649 43.1784 176.2767 49 T 4.7464 8.3299 116.7734 61.8105 71.9017 174.3352 50 V 4.3681 8.3784 117.6450 61.2755 32.7903 175.3420 51 L 4.5855 8.2645 125.9644 53.0334 43.6830 175.7549 *52 P 4.1756 0.0000 0.0000 62.4421 32.6102 174.8050 *55 E 4.0967 8.2518 114.8543 56.7513 31.3928 177.2653 56 G 3.8709 8.4103 106.8413 45.1937 0.0000 173.1879 57 N 4.3910 8.5892 115.7519 54.2279 39.2812 174.4789 58 D 4.7345 8.7507 119.9232 56.0803 42.7700 175.9305 59 A 5.0721 7.6598 118.0876 51.4374 23.0965 175.2252 60 V 5.7190 8.9178 111.0658 59.8849 36.6795 175.0887 61 D 5.1744 8.7221 122.8521 51.8257 42.1330 176.6655 62 N 4.4476 8.9339 114.5219 55.0270 38.4307 175.8246 63 A 4.3480 8.1529 120.0641 52.0451 19.5540 177.9841 64 G 3.9760 8.2982 104.9139 44.5318 0.0000 173.8368 65 Q 4.0128 8.5756 122.7722 56.1149 29.9053 174.8900 66 E 5.1886 8.4343 125.3396 55.5429 31.9516 174.7091 67 Y 5.0732 9.4580 119.2141 56.5879 43.2363 173.5184 68 E 4.6203 8.5538 122.3046 54.5551 31.4927 174.5226 69 L 5.0701 8.6108 126.7928 52.8612 44.2332 176.1045 70 K 4.7652 8.8488 121.8659 54.7642 36.3929 175.4653 71 S 5.7195 8.8530 117.4118 56.1992 66.9920 173.1967 72 I 4.4933 8.5166 120.4550 59.8320 41.6911 173.1318 73 N 5.4626 8.7183 127.7759 51.9043 39.3507 175.2660 74 I 4.1603 8.9042 120.5868 62.3958 37.8112 176.8830 75 D 4.6562 8.1965 119.6974 55.3767 41.2091 176.6076 76 L 4.6099 8.0748 117.4953 55.8491 44.4404 176.4095 77 T 4.6101 7.6019 112.5753 61.4021 70.5185 173.9197 78 K 4.5005 8.6527 126.1591 54.7012 34.3234 176.2224 79 G 4.4603 7.6999 106.4795 45.0577 0.0000 173.9085 80 F 4.4674 9.2986 125.4527 57.6095 39.9151 175.5813 81 S 4.5025 9.0809 119.9163 59.0672 63.2345 172.1606 82 T 4.6684 9.4570 108.8236 62.0444 71.5635 173.1282 83 H 4.8046 7.5378 118.7784 54.0551 33.4465 174.4400 84 H 4.3154 8.7252 125.1607 58.9504 30.2992 174.0362 85 H 5.2174 8.1989 114.8901 54.3359 28.9506 172.0259 86 M 4.2714 9.0794 121.9450 55.4403 33.8411 174.7596 87 N 4.5491 8.3403 121.0075 50.2615 40.4519 173.2586 88 P 3.9151 0.0000 0.0000 65.8187 30.7019 179.0253 89 V 3.4476 7.2522 116.2747 66.0145 31.6009 178.0657 90 I 3.4336 7.3141 119.0318 64.1876 36.9447 178.3218 91 I 3.7904 7.9662 120.7092 63.7241 36.5849 178.3200 92 A 3.8457 7.7598 121.7038 55.0333 18.2888 179.4825 93 K 4.0008 7.4291 116.3478 59.7670 31.9962 179.0106 94 Y 4.7708 7.5375 116.5695 61.6094 37.7244 178.8125 95 R 4.1294 7.8927 120.3879 60.3754 29.9926 178.7344 96 Q 4.2502 7.8423 119.6042 58.3167 28.3709 180.5904 97 V 4.7515 7.0012 111.3894 58.4776 34.9677 173.5143 98 P 4.9142 0.0000 0.0000 62.8479 33.0934 174.9766 99 W 5.2687 9.5322 120.4345 55.1452 32.6598 175.1764 100 I 4.9691 8.5766 122.9837 59.8541 39.5033 174.5099 101 F 5.0378 9.6039 127.0087 55.7036 40.7345 174.9138 102 A 5.3242 9.7339 125.7836 50.2424 22.0505 175.0171 103 I 4.7983 8.7084 121.9369 59.7709 40.1971 174.4889 104 Y 5.2198 9.5308 126.7361 56.9881 42.2043 175.8383 105 R 4.6798 9.2050 123.8796 55.8460 30.6895 179.1152 106 G 3.8383 10.3788 121.3950 46.1213 0.0000 173.0350 107 I 4.1448 8.9131 116.0094 60.0383 38.8524 175.3205 108 A 4.3004 8.0172 126.4109 51.2780 18.6383 176.7784 109 I 3.4170 8.4709 124.3024 61.3674 38.5297 174.5348 110 E 4.4869 9.2999 129.7476 57.9116 30.2105 175.4845 111 A 4.8711 7.5481 118.3655 51.1807 23.3822 174.5160 112 I 5.0691 8.0529 118.6266 60.2221 41.1108 174.5638 113 Y 5.2049 9.3621 124.6852 56.2182 41.7584 174.8501 114 R 5.2506 9.1688 120.8605 54.9462 33.4065 173.7312 115 L 5.1828 9.1589 126.3474 53.1448 44.5104 176.3076 116 E 4.7823 9.6105 122.7505 54.7743 31.1679 175.6733 117 P 4.4253 0.0000 0.0000 66.8137 30.7796 179.5529 118 K 4.2705 8.0865 122.9009 59.3913 31.3964 180.1487 119 D 4.7499 8.2627 118.3485 55.8894 41.0107 177.4975 120 L 4.2901 7.9914 118.6831 54.2453 43.1102 177.8393 121 E 3.9740 7.6224 118.6137 59.4943 29.4242 178.6872 122 F 4.1955 8.1641 119.8833 61.9534 39.1451 176.9052 123 Y 2.6192 7.0002 115.1833 60.4700 37.5292 177.5653 124 Y 4.3057 7.0236 117.6867 61.0908 37.9184 178.4891 125 D 4.3914 8.9072 123.4114 57.8503 40.9532 179.2143 126 K 3.7291 7.3801 124.0470 59.8655 31.5191 180.6783 127 W 4.8330 8.0734 120.3175 59.7237 28.8716 178.3936 128 E 4.0775 8.6245 119.2618 59.1818 29.1060 178.7703 129 R 4.0712 8.6415 121.6013 60.2404 30.1671 179.3026 130 K 4.1062 8.6802 123.8564 60.0243 31.4147 179.8154 131 W 4.5281 8.7560 130.6991 61.0921 30.6676 177.6390 *132 Y 3.7187 8.3579 119.9748 62.2736 36.4908 180.6487 133 S 4.2759 7.8408 114.3836 61.5451 62.2606 175.9978 134 D 4.6112 7.9189 117.0888 54.7327 41.0922 176.1759 135 G 3.4254 7.9663 106.7341 47.5910 0.0000 173.4363 136 H 2.5800 7.2266 111.1974 56.5808 27.1292 176.4996 137 K 4.6010 7.3602 118.5721 52.4718 33.7704 178.0871 138 D 5.0334 8.8345 123.7573 54.2542 41.8916 175.8567 139 I 4.2868 8.4528 122.1082 59.8630 39.1762 174.9484 140 N 4.9589 8.8501 126.3773 52.6616 37.8725 173.1472 141 N 4.6829 8.5986 123.0480 52.3840 36.9939 171.6767 142 P 4.5242 0.0000 0.0000 62.3669 32.8512 177.0553 143 K 5.0177 8.6310 120.0758 54.9800 35.2286 175.6967 144 I 3.8347 8.3561 123.4450 58.6252 39.4366 173.5891 145 P 4.6364 0.0000 0.0000 62.9930 31.9012 178.0928 146 V 3.7465 8.7541 122.9207 65.7223 31.3080 178.5550 147 K 3.8383 8.0084 119.1777 59.5696 32.0808 177.8060 148 Y 3.9353 8.0528 119.2253 60.7197 38.7179 178.0482 149 V 3.2724 7.6605 118.7680 66.3398 31.3451 177.9359 150 M 2.7720 7.6273 117.0407 57.7376 31.7907 178.0391 151 E 4.1103 8.0467 117.0443 57.8173 29.9694 177.4090 152 H 4.6303 8.0220 114.6621 55.9641 30.6138 174.4356 153 G 4.1692 8.1795 107.8237 45.5223 0.0000 172.6487 154 T 4.7921 8.4966 116.0099 61.3412 71.1484 174.1285 155 K 3.8257 8.8198 128.4396 56.2431 32.0507 176.2554 156 I 4.2252 8.8033 122.0487 61.2433 38.7210 175.4388 157 Y 4.0947 7.3082 128.8069 58.2826 38.4589 173.5224 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 2 S 8.43 4.33 0.00 3.83 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 *3 H 7.79 4.37 0.00 2.96 2.93 0.00 7.26 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.33 0.00 2.25 2.35 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 5 D 8.18 4.44 0.00 2.71 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 6 L 7.77 3.90 0.00 1.81 1.81 0.85 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.25 4.51 0.00 2.81 2.86 0.00 0.00 7.11 8.03 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 8 K 8.21 4.05 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 9 L 8.00 4.28 0.00 1.76 1.97 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.80 3.91 0.00 1.87 1.76 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.79 4.21 0.00 2.09 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 0.00 2.38 2.59 0.00 12 L 8.17 4.23 0.00 2.03 1.79 0.97 0.79 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 13 W 9.05 4.12 0.00 3.70 3.26 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 0.00 14 P 0.00 4.31 0.00 2.08 2.09 0.00 3.92 0.00 0.00 4.17 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 15 H 8.44 4.26 0.00 3.29 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.37 3.52 1.17 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 1.38 0.49 0.18 0.00 0.00 17 Q 7.93 3.78 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 18 E 7.87 4.15 0.00 2.11 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 2.31 2.28 0.00 19 Y 7.99 4.11 0.00 2.92 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 20 Q 8.24 3.72 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 21 D 7.99 4.28 0.00 2.90 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 22 L 7.81 3.98 0.00 1.69 1.56 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.60 4.11 1.06 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 0.00 0.00 24 L 8.27 4.57 0.00 1.78 1.69 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.45 4.08 0.00 1.76 2.00 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.42 7.81 26 H 7.24 4.66 0.00 3.32 3.18 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.38 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 28 I 7.92 4.39 1.89 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 1.30 0.75 0.85 0.00 0.00 29 N 8.56 4.69 0.00 2.78 2.89 0.00 0.00 5.91 8.06 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 30 D 7.58 4.50 0.00 2.75 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 31 I 9.11 3.51 1.54 0.00 0.00 0.40 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 -0.36 0.68 0.00 0.00 32 F 7.91 4.75 0.00 3.16 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 33 Q 8.27 4.58 0.00 2.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.21 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 34 D 9.69 4.17 0.00 2.82 2.70 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 0.00 0.00 0.00 0.00 35 N 8.34 4.25 0.00 2.97 2.85 0.00 0.00 6.86 7.59 0.00 0.00 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 8.21 3.76 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 0.00 0.00 0.00 37 G 8.23 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 38 K 7.70 4.12 0.00 1.71 1.30 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.98 1.23 7.81 39 L 8.14 3.95 0.00 1.80 1.81 0.90 0.50 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 40 L 7.83 3.86 0.00 1.66 1.73 0.70 -0.00 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 41 Q 8.03 3.99 0.00 2.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 42 V 7.78 3.49 2.23 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 1.08 0.00 0.00 1.00 0.00 0.00 43 L 7.89 3.89 0.00 1.78 1.85 0.88 0.41 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 44 L 7.89 3.90 0.00 1.51 1.67 0.82 0.55 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 45 I 7.41 3.87 1.63 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.43 0.65 0.00 0.00 46 T 7.93 4.22 4.14 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 1.17 0.00 0.00 47 G 8.06 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 0.00 0.00 0.00 48 L 7.16 4.53 0.00 1.54 1.55 0.51 0.73 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 49 T 8.33 4.75 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 1.21 0.00 0.00 50 V 8.38 4.37 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 0.65 0.00 0.00 0.95 0.00 0.00 51 L 8.26 4.59 0.00 1.66 1.56 1.00 0.98 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 *52 P 0.00 4.18 0.00 1.82 1.85 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.07 0.00 *55 E 8.25 4.10 0.00 2.01 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 2.13 1.89 0.00 56 G 8.41 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 57 N 8.59 4.39 0.00 2.82 2.78 0.00 0.00 6.73 8.06 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 58 D 8.75 4.73 0.00 2.54 2.65 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 0.00 0.00 0.00 0.00 59 A 7.66 5.07 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 60 V 8.92 5.72 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 0.77 0.00 0.00 0.96 0.00 0.00 61 D 8.72 5.17 0.00 2.89 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 62 N 8.93 4.45 0.00 2.76 2.93 0.00 0.00 6.75 7.35 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 63 A 8.15 4.35 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 64 G 8.30 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 0.00 0.00 0.00 65 Q 8.58 4.01 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.01 1.25 0.00 66 E 8.43 5.19 0.00 1.86 1.82 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 2.22 2.27 0.00 67 Y 9.46 5.07 0.00 2.76 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 68 E 8.55 4.62 0.00 1.55 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 1.47 1.47 0.00 69 L 8.61 5.07 0.00 1.39 1.45 0.84 0.79 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 70 K 8.85 4.77 0.00 1.08 1.72 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.79 1.40 7.81 71 S 8.85 5.72 0.00 3.82 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 72 I 8.52 4.49 0.81 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.21 0.65 0.00 0.00 73 N 8.72 5.46 0.00 2.82 2.71 0.00 0.00 6.91 7.77 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 74 I 8.90 4.16 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.90 0.00 0.00 75 D 8.20 4.66 0.00 2.92 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 76 L 8.07 4.61 0.00 1.68 1.65 0.93 0.87 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 77 T 7.60 4.61 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 1.22 0.00 0.00 78 K 8.65 4.50 0.00 1.45 1.74 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.33 0.97 7.81 79 G 7.70 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 0.00 0.00 0.00 0.00 80 F 9.30 4.47 0.00 3.36 3.26 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 0.00 81 S 9.08 4.50 0.00 3.87 3.88 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 82 T 9.46 4.67 4.40 0.00 0.00 0.00 0.00 0.00 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 83 H 7.54 4.80 0.00 3.35 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.73 4.32 0.00 3.19 3.30 0.00 5.67 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 85 H 8.20 5.22 0.00 3.07 3.36 0.00 5.95 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 9.08 4.27 0.00 1.96 1.71 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 2.56 2.23 0.00 87 N 8.34 4.55 0.00 2.15 2.94 0.00 0.00 6.23 7.76 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 88 P 0.00 3.92 0.00 1.62 1.80 0.00 2.20 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.41 0.00 89 V 7.25 3.45 1.90 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 0.94 0.00 0.00 0.80 0.00 0.00 90 I 7.31 3.43 1.73 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.34 0.00 0.00 91 I 7.97 3.79 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.84 0.71 0.00 0.00 92 A 7.76 3.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.98 0.76 0.86 0.00 0.00 101 F 9.60 5.04 0.00 2.99 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 0.00 102 A 9.73 5.32 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 0.00 103 I 8.71 4.80 1.99 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.98 0.00 0.00 104 Y 9.53 5.22 0.00 3.05 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 0.00 105 R 9.20 4.68 0.00 1.46 1.82 0.00 3.35 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 106 G 10.38 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.91 4.14 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.90 0.00 0.00 108 A 8.02 4.30 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 0.00 109 I 8.47 3.42 1.93 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.53 0.82 0.00 0.00 110 E 9.30 4.49 0.00 2.02 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 2.30 2.34 0.00 111 A 7.55 4.87 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 0.00 112 I 8.05 5.07 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 1.00 0.00 0.00 113 Y 9.36 5.20 0.00 3.06 2.91 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 0.00 114 R 9.17 5.25 0.00 1.93 1.82 0.00 3.19 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 115 L 9.16 5.18 0.00 2.03 1.63 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.61 4.78 0.00 2.05 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 2.53 2.48 0.00 117 P 0.00 4.43 0.00 2.25 2.52 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 118 K 8.09 4.27 0.00 1.76 1.83 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 0.97 7.81 119 D 8.26 4.75 0.00 2.86 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 0.00 120 L 7.99 4.29 0.00 1.15 0.39 0.35 0.09 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 0.00 121 E 7.62 3.97 0.00 2.05 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 2.43 2.46 0.00 122 F 8.16 4.20 0.00 2.91 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 0.00 123 Y 7.00 2.62 0.00 2.05 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 0.00 124 Y 7.02 4.31 0.00 3.04 2.91 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 0.00 125 D 8.91 4.39 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 134 D 7.92 4.61 0.00 2.82 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 0.00 135 G 7.97 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 0.00 0.00 0.00 136 H 7.23 2.58 0.00 2.86 2.91 0.00 5.83 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.36 4.60 0.00 1.75 1.58 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.00 7.81 138 D 8.83 5.03 0.00 2.66 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 0.00 139 I 8.45 4.29 1.77 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 1.20 0.86 0.83 0.00 0.00 140 N 8.85 4.96 0.00 2.70 2.72 0.00 0.00 7.41 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 0.00 141 N 8.60 4.68 0.00 2.71 2.69 0.00 0.00 7.38 7.69 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 0.00 142 P 0.00 4.52 0.00 1.84 1.79 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 143 K 8.63 5.02 0.00 1.70 1.78 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.41 7.81 144 I 8.36 3.83 1.91 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 0.19 0.65 0.40 0.00 0.00 145 P 0.00 4.64 0.00 2.22 2.07 0.00 3.53 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 146 V 8.75 3.75 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 1.07 0.00 0.00 0.83 0.00 0.00 147 K 8.01 3.84 0.00 1.88 1.84 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.49 7.81 148 Y 8.05 3.94 0.00 3.22 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 0.00 149 V 7.66 3.27 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 0.45 0.00 0.00 0.28 0.00 0.00 150 M 7.63 2.77 0.00 1.71 2.00 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 2.61 1.85 0.00 151 E 8.05 4.11 0.00 1.72 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 2.21 2.31 0.00 152 H 8.02 4.63 0.00 2.62 3.04 0.00 5.84 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 0.00 153 G 8.18 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 0.00 154 T 8.50 4.79 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 1.23 0.00 0.00 155 K 8.82 3.83 0.00 1.39 1.58 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.11 0.77 7.81 156 I 8.80 4.23 1.86 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 1.17 0.78 0.97 0.00 0.00 157 Y 7.31 4.09 0.00 2.88 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 * Residues marked with a * may have inaccurate shift predictions.