NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4215 8.3049 120.3514 55.2408 33.4074 175.0403 2 L 4.2477 8.2783 125.7799 53.3169 43.0898 175.0949 3 K 4.2676 8.5973 121.2136 56.6255 34.2575 175.3352 4 Q 5.0125 8.9299 126.0042 54.6704 30.3600 174.5273 5 V 4.7301 8.8296 127.1256 61.2203 34.9051 173.8579 6 E 4.9135 9.0936 125.9734 54.8389 31.8042 175.1199 7 I 5.0651 8.1451 124.0625 59.4678 41.5082 174.3895 8 F 5.4693 9.2921 124.2952 55.9885 42.5568 174.2153 9 T 5.3425 8.6219 111.6168 60.7123 72.0859 172.4034 10 D 4.7758 8.9664 120.3854 53.7716 45.2100 174.2880 11 G 4.6908 8.6475 109.2794 45.0167 0.0000 171.7500 12 S 5.0569 8.9841 115.1248 57.2338 66.9572 172.4956 13 C 4.9262 8.4610 120.1670 57.6455 34.3280 174.6605 14 L 4.2738 9.0294 128.7897 52.0368 39.8950 174.8315 15 G 4.2896 6.7512 105.1774 43.4139 0.0000 172.1976 16 N 4.9804 7.8675 118.3360 51.5444 38.9571 171.9872 17 P 4.6737 0.0000 0.0000 62.4132 34.6221 174.8567 18 G 3.9477 7.5451 105.2207 46.0420 0.0000 170.1504 19 P 4.9867 0.0000 0.0000 62.3236 32.6461 176.3577 20 G 4.4522 9.1006 110.0256 45.5319 0.0000 170.8742 21 G 4.6979 8.8805 106.1614 45.7545 0.0000 171.7168 22 Y 5.5639 8.1805 117.3813 55.2869 42.1905 174.5818 23 G 4.6206 9.4680 106.1023 44.9813 0.0000 171.5696 24 A 5.5171 9.4054 124.0278 50.5344 23.4368 175.1190 25 I 5.2181 9.2999 121.3193 59.5971 41.0889 174.4317 26 L 5.2470 9.2430 127.0096 52.9983 44.4308 175.4486 27 R 5.1879 9.4308 123.6739 54.7632 33.3745 173.5373 28 Y 4.8274 9.1909 127.8016 56.6536 41.8651 175.0581 29 R 3.4020 9.1476 127.6052 57.1883 27.6790 177.6954 30 G 4.1000 8.0823 107.1013 46.1227 0.0000 174.3195 31 R 4.0864 7.8068 118.6544 56.3006 30.6519 175.0615 32 E 5.2337 8.5194 121.3192 54.5332 32.8638 174.4995 33 K 4.6488 9.3991 125.6957 54.9066 35.7719 175.2331 34 T 5.1548 8.2453 120.2407 61.9359 71.3489 173.7959 35 F 4.9576 9.0135 122.3786 56.1494 43.3913 173.7555 36 S 4.7585 9.0019 114.4159 58.4424 65.0643 173.6600 37 A 4.4124 7.1474 125.8062 50.7725 22.5814 175.0205 38 G 4.2636 8.3475 106.3915 44.5265 0.0000 171.4689 39 Y 5.3084 9.1606 121.3724 55.9418 40.2204 176.8011 40 T 3.8664 8.9879 114.9732 64.4535 69.9814 173.8596 41 R 4.4653 7.7745 121.9366 55.0820 32.7230 173.5789 42 T 4.0409 8.3472 122.3615 61.5748 71.1064 171.8693 43 T 4.8263 8.1054 109.2840 59.0887 72.0765 174.2831 44 N 4.2500 8.6713 119.0895 57.0202 38.8170 176.4312 45 N 4.1441 7.9516 117.3417 56.3987 38.4329 177.4957 46 R 3.9348 7.9166 119.3198 59.3956 30.0668 179.0308 47 M 4.0848 7.9219 118.2714 58.2774 31.4586 178.5663 48 E 4.0546 8.2963 118.9063 59.3271 29.5422 179.4480 49 L 3.7530 7.6524 119.0831 57.8076 41.6801 178.9672 50 M 3.7611 8.2693 118.2926 58.3260 32.0602 178.1177 51 A 3.5503 8.0470 120.7906 54.9944 18.5302 179.5074 52 A 3.9009 7.4572 118.8994 55.2490 18.4374 179.7916 53 I 3.5535 7.7432 118.4252 64.5702 37.0615 178.8633 54 V 3.3516 7.7142 118.8893 65.6745 31.0820 177.7970 55 A 3.4878 7.3157 119.0899 55.1669 18.5790 179.3101 56 L 3.9263 7.9305 117.5651 57.9535 41.4894 179.6427 57 E 4.0448 8.0927 116.9192 58.6665 29.4137 178.7063 58 A 4.2813 7.3246 119.9033 52.9521 18.4650 177.3170 59 L 4.0716 7.1958 117.8751 54.5995 41.3295 176.4831 60 K 4.4846 8.4818 123.5707 55.7186 32.1619 176.3465 61 E 4.6235 7.5244 114.5080 55.0585 31.7500 174.4896 62 H 4.4803 8.5741 117.9706 56.8402 29.3253 174.4218 63 C 5.0428 8.9392 119.0291 58.1364 33.4787 172.2221 64 E 4.8906 9.1381 119.9401 54.9893 31.1213 175.6920 65 V 4.6667 9.0026 124.5525 61.0234 35.0615 174.3176 66 I 4.5173 8.3592 128.6360 59.6961 38.8473 174.0513 67 L 4.4849 7.9911 130.5848 53.1926 43.8847 174.8416 68 S 5.5566 8.4994 121.9110 56.1066 64.8138 172.6048 69 T 5.0313 8.4753 120.0398 60.9872 70.7434 173.0506 70 D 5.0882 8.6830 124.7291 52.4688 40.0509 176.5275 71 S 4.3732 8.1948 115.7675 58.5809 62.9837 174.5159 72 Q 3.9160 8.7838 130.7124 58.9681 29.0567 177.1779 73 Y 4.2922 7.5719 118.4094 60.8513 38.9509 178.2196 74 V 3.7512 8.4173 119.6306 65.9504 31.6175 177.8561 75 R 2.5100 7.7259 118.4835 58.9380 29.7517 178.3526 76 Q 3.2974 7.8994 119.7349 58.4087 28.7896 178.5058 77 G 2.7020 7.3573 106.5470 47.4148 0.0000 175.8922 78 I 3.4909 7.2370 121.6131 63.8805 37.1780 178.1326 79 T 4.1040 7.1059 108.1211 63.4086 68.6217 174.0478 80 Q 4.1290 7.1675 118.0515 56.3032 32.2908 177.1647 81 W 3.5183 7.2704 117.2096 59.5058 29.0978 178.4397 82 I 3.2811 7.1951 118.5985 64.2632 37.1155 177.4102 83 H 3.9872 7.6103 114.9492 58.8642 28.8638 176.7038 84 N 4.2911 7.1850 118.8324 56.4754 38.7672 176.7203 85 W 4.1401 7.5388 120.2137 59.6640 28.8740 178.4147 86 K 3.8540 7.3291 113.0366 57.3149 31.2677 177.2137 87 A 4.6618 7.6684 121.2124 51.5896 20.6407 177.3161 88 R 4.5439 7.8464 115.5900 55.7915 30.7751 176.3615 89 G 4.4177 8.6287 103.2396 46.7255 0.0000 174.3235 90 W 3.3661 7.9577 114.3885 56.4397 26.6030 173.9858 91 K 4.4529 7.4904 114.0794 55.6619 36.3816 176.1650 92 T 4.4252 7.7308 110.7918 59.8601 70.7546 175.8103 93 A 3.9609 8.6947 124.4773 55.4950 18.1223 178.8234 94 D 4.3823 8.0055 111.7861 54.1126 39.3858 176.8632 95 K 3.9573 8.2665 118.5646 57.0516 30.3257 175.7291 96 K 4.1474 9.0021 120.6014 55.2055 32.5102 175.0239 97 P 4.3466 0.0000 0.0000 62.4095 31.8763 176.7653 98 V 3.4475 8.1886 116.0435 61.1750 31.9547 175.8748 99 K 3.9499 8.4113 123.7839 57.8506 32.5354 176.5020 100 N 4.5114 9.2341 119.8811 53.3334 36.3180 176.9944 101 V 3.6205 7.5369 120.8951 64.9079 31.2380 176.6807 102 D 4.2168 8.0384 119.2462 56.4914 38.9943 178.6229 103 L 4.0903 7.7553 119.7091 56.8163 41.8560 179.1705 104 W 4.4478 8.2787 119.0534 59.9148 28.9644 178.6185 105 Q 3.5823 8.1662 118.3550 58.6337 27.8842 178.6951 106 R 3.8401 7.6300 119.6430 59.1945 30.1390 178.3896 107 L 3.9908 8.4529 120.6512 58.1626 42.2197 178.2583 108 D 4.5887 8.9385 118.2430 57.5207 40.9652 178.0823 109 A 4.0522 8.1020 119.8316 55.2957 18.8157 179.1934 110 A 4.1221 7.9414 119.1505 55.2165 18.5077 179.8604 111 L 4.1946 8.3367 117.7965 57.9133 41.5640 179.7719 112 G 3.8307 8.0248 103.9016 46.9242 0.0000 174.7486 113 Q 4.3495 7.6512 118.1967 56.4101 29.2575 174.4332 114 H 5.0000 7.6130 115.5509 54.2365 33.9091 172.9403 115 Q 4.4494 8.9220 118.6526 55.0098 29.5491 175.0345 116 I 4.5544 8.2297 125.1398 59.2272 39.4948 175.4346 117 K 4.4104 8.7885 128.0121 54.3585 34.2658 174.8705 118 W 4.4386 8.7082 127.7911 55.9762 30.4356 176.1648 119 E 4.2791 8.8803 123.4825 54.2933 31.7591 175.1736 120 W 5.1173 8.3886 125.6122 56.2667 29.6315 176.2850 121 V 4.6557 8.3646 120.3664 60.3384 34.2422 175.2946 122 K 4.3719 8.4586 116.5998 58.6428 38.0835 178.5292 *125 A 4.0419 7.7877 119.0959 51.9508 19.1191 176.6199 126 G 3.8893 8.0972 111.7333 44.7034 0.0000 173.8773 127 H 3.9668 7.6480 115.6291 54.5515 26.1218 173.4789 128 P 4.1972 0.0000 0.0000 65.6528 31.6098 177.7768 129 E 3.6671 7.7405 116.4629 59.4653 29.2821 179.0885 130 N 4.5017 7.9935 115.9003 56.3041 38.6146 177.2322 131 E 4.0469 8.2203 120.2148 59.2461 29.4236 179.5517 132 R 3.9063 7.9525 118.2320 59.4788 30.0842 178.7757 133 C 4.1716 8.1964 116.5131 62.9128 28.1267 175.6601 134 D 4.7101 8.1080 120.9077 56.7331 40.8021 177.9866 135 E 3.9304 8.1159 119.7496 59.2544 29.6154 178.6934 136 L 3.9636 8.2639 119.1019 57.7544 41.6263 179.3629 137 A 4.1012 8.3542 120.8961 55.4757 18.1626 179.9814 138 R 3.8599 7.9594 114.9065 59.1419 30.2313 178.9336 139 A 4.1009 8.1682 120.5036 55.1194 18.4218 179.5429 140 A 3.8643 8.2387 119.2889 55.2500 18.2129 179.7265 141 A 4.0667 8.1379 118.5522 55.2733 18.5061 179.0650 142 M 4.2797 7.6240 115.3760 56.3007 33.4970 176.1194 143 N 5.0551 7.8656 115.8447 50.9814 39.3967 172.9081 144 P 4.4029 0.0000 0.0000 63.4313 32.3484 177.0436 145 T 4.5770 7.9420 106.4912 61.0306 71.5753 173.4784 146 L 4.5897 7.9310 122.7259 52.7104 44.2104 174.6082 147 E 4.7563 8.4340 121.4795 54.8223 30.9166 176.3546 148 D 4.8381 8.6498 127.0458 52.8425 39.9326 176.0366 149 T 3.9072 8.5587 113.8716 64.4020 68.7367 176.7286 150 G 4.1547 7.9831 107.2131 45.6206 0.0000 172.4683 151 Y 4.2161 7.9709 122.5307 57.2928 38.9897 174.6755 152 Q 4.2572 7.7477 125.8653 53.3401 31.6962 175.7336 153 V 3.5107 8.0736 120.4988 63.3201 31.4066 175.5402 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 M 8.30 4.42 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 L 8.28 4.25 0.00 1.92 1.58 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.60 4.27 0.00 1.51 1.30 0.00 1.36 0.00 0.00 0.74 0.00 0.00 2.59 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.46 7.81 4 Q 8.93 5.01 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 5 V 8.83 4.73 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 0.98 0.00 0.00 0.74 0.00 0.00 6 E 9.09 4.91 0.00 2.13 1.68 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 2.18 2.28 0.00 7 I 8.15 5.07 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.86 0.00 0.00 8 F 9.29 5.47 0.00 2.97 2.95 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 0.00 0.00 0.00 9 T 8.62 5.34 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 1.24 0.00 0.00 10 D 8.97 4.78 0.00 2.87 2.59 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 0.00 0.00 0.00 0.00 11 G 8.65 4.69 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 0.00 0.00 0.00 12 S 8.98 5.06 0.00 3.90 3.96 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 13 C 8.46 4.93 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.03 4.27 0.00 1.64 1.62 0.92 0.79 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 15 G 6.75 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.87 4.98 0.00 2.66 2.68 0.00 0.00 6.94 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 17 P 0.00 4.67 0.00 1.82 1.99 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 18 G 7.55 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.99 0.00 2.16 1.97 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 20 G 9.10 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 0.00 0.00 0.00 0.00 21 G 8.88 4.70 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 0.00 0.00 0.00 22 Y 8.18 5.56 0.00 3.17 3.10 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 23 G 9.47 4.62 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 0.00 0.00 0.00 24 A 9.41 5.52 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 25 I 9.30 5.22 2.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 1.05 0.00 0.00 26 L 9.24 5.25 0.00 1.84 1.67 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.43 5.19 0.00 1.98 1.91 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 28 Y 9.19 4.83 0.00 2.92 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 29 R 9.15 3.40 0.00 1.54 1.63 0.00 2.86 0.00 0.00 2.89 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 30 G 8.08 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 0.00 0.00 0.00 31 R 7.81 4.09 0.00 2.25 1.97 0.00 3.14 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 32 E 8.52 5.23 0.00 1.94 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 2.23 2.38 0.00 33 K 9.40 4.65 0.00 1.82 1.47 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 34 T 8.25 5.15 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 1.22 0.00 0.00 35 F 9.01 4.96 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.00 4.76 0.00 3.81 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 37 A 7.15 4.41 1.01 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 38 G 8.35 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 0.00 0.00 0.00 0.00 39 Y 9.16 5.31 0.00 2.86 2.86 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 40 T 8.99 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 41 R 7.77 4.47 0.00 1.71 1.75 0.00 3.25 0.00 0.00 3.04 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.08 0.00 42 T 8.35 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 1.16 0.00 0.00 43 T 8.11 4.83 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 1.31 0.00 0.00 44 N 8.67 4.25 0.00 2.83 2.81 0.00 0.00 6.87 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.95 4.14 0.00 2.36 1.54 0.00 0.00 7.09 7.66 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 46 R 7.92 3.93 0.00 1.83 1.89 0.00 3.40 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 47 M 7.92 4.08 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.82 0.00 48 E 8.30 4.05 0.00 2.34 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 2.44 2.54 0.00 49 L 7.65 3.75 0.00 1.64 1.42 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.27 3.76 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.48 0.00 51 A 8.05 3.55 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.46 3.90 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 53 I 7.74 3.55 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.82 0.00 0.00 54 V 7.71 3.35 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 0.89 0.00 0.00 0.66 0.00 0.00 55 A 7.32 3.49 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 56 L 7.93 3.93 0.00 1.63 1.69 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.09 4.04 0.00 1.88 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 2.31 2.49 0.00 58 A 7.32 4.28 1.05 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 0.00 0.00 59 L 7.20 4.07 0.00 1.71 1.56 0.54 0.77 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 60 K 8.48 4.48 0.00 1.71 1.79 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.36 7.81 61 E 7.52 4.62 0.00 1.98 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 2.10 2.25 0.00 62 H 8.57 4.48 0.00 3.05 3.26 0.00 5.66 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 63 C 8.94 5.04 0.00 2.70 2.84 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 64 E 9.14 4.89 0.00 1.85 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 2.23 2.23 0.00 65 V 9.00 4.67 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 0.49 0.00 0.00 0.71 0.00 0.00 66 I 8.36 4.52 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.42 0.74 0.00 0.00 67 L 7.99 4.48 0.00 0.96 0.49 0.39 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.50 5.56 0.00 3.72 3.48 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 0.00 0.00 0.00 0.00 69 T 8.48 5.03 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 70 D 8.68 5.09 0.00 2.95 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 71 S 8.19 4.37 0.00 4.11 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 72 Q 8.78 3.92 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 73 Y 7.57 4.29 0.00 3.30 3.27 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 74 V 8.42 3.75 2.29 0.00 0.00 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 1.04 0.00 0.00 75 R 7.73 2.51 0.00 1.22 1.50 0.00 2.62 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 76 Q 7.90 3.30 0.00 1.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 1.55 1.90 0.00 77 G 7.36 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 0.00 0.00 0.00 78 I 7.24 3.49 1.42 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 -0.36 0.35 0.00 0.00 79 T 7.11 4.10 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 0.98 0.00 0.00 80 Q 7.17 4.13 0.00 1.51 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.91 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 81 W 7.27 3.52 0.00 1.78 1.74 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 82 I 7.20 3.28 1.69 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 1.45 1.49 0.62 0.00 0.00 83 H 7.61 3.99 0.00 2.99 3.21 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.18 4.29 0.00 2.76 2.59 0.00 0.00 7.30 7.83 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 85 W 7.54 4.14 0.00 2.50 1.87 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 86 K 7.33 3.85 0.00 1.59 1.80 0.00 2.05 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.34 7.81 87 A 7.67 4.66 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 88 R 7.85 4.54 0.00 1.85 1.89 0.00 3.26 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.82 0.00 89 G 8.63 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 7.96 3.37 0.00 3.37 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.49 4.45 0.00 1.77 1.64 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 92 T 7.73 4.43 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 93 A 8.69 3.96 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 94 D 8.01 4.38 0.00 2.76 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 95 K 8.27 3.96 0.00 1.89 1.96 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.57 7.81 96 K 9.00 4.15 0.00 1.82 1.69 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.52 7.81 97 P 0.00 4.35 0.00 1.97 1.94 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 98 V 8.19 3.45 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 -0.05 0.00 0.00 0.70 0.00 0.00 99 K 8.41 3.95 0.00 1.82 1.81 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 100 N 9.23 4.51 0.00 3.19 2.94 0.00 0.00 7.36 7.68 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 0.00 101 V 7.54 3.62 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 0.75 0.00 0.00 0.74 0.00 0.00 102 D 8.04 4.22 0.00 2.82 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.76 4.09 0.00 1.56 1.57 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.28 4.45 0.00 3.44 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 0.00 105 Q 8.17 3.58 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.63 3.84 0.00 1.94 2.02 0.00 3.05 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 107 L 8.45 3.99 0.00 1.80 1.98 1.06 1.22 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 0.00 108 D 8.94 4.59 0.00 3.32 3.09 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 0.00 109 A 8.10 4.05 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 0.00 110 A 7.94 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 0.00 111 L 8.34 4.19 0.00 2.04 1.95 1.28 1.05 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 0.00 112 G 8.02 3.83 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 0.00 0.00 0.00 113 Q 7.65 4.35 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.65 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 114 H 7.61 5.00 0.00 2.97 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.92 4.45 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 116 I 8.23 4.55 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 -0.35 0.00 0.00 117 K 8.79 4.41 0.00 1.65 1.50 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.33 7.81 118 W 8.71 4.44 0.00 2.53 1.74 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 0.00 119 E 8.88 4.28 0.00 1.68 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 120 W 8.39 5.12 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 0.00 121 V 8.36 4.66 1.84 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 0.92 0.00 0.00 0.99 0.00 0.00 122 K 8.46 4.37 0.00 1.72 1.81 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 *125 A 7.79 4.04 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 0.00 126 G 8.10 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 0.00 127 H 7.65 3.97 0.00 3.45 3.65 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 0.00 128 P 0.00 4.20 0.00 2.05 2.06 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 129 E 7.74 3.67 0.00 1.16 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 1.97 0.00 130 N 7.99 4.50 0.00 2.88 2.97 0.00 0.00 7.10 7.66 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 0.00 131 E 8.22 4.05 0.00 2.20 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 2.35 2.64 0.00 132 R 7.95 3.91 0.00 2.02 1.96 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 133 C 8.20 4.17 0.00 3.23 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 0.00 134 D 8.11 4.71 0.00 3.02 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 0.00 135 E 8.12 3.93 0.00 2.29 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 2.31 2.40 0.00 136 L 8.26 3.96 0.00 1.93 1.72 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.35 4.10 1.45 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 0.00 0.00 0.00 138 R 7.96 3.86 0.00 1.82 2.02 0.00 3.18 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 139 A 8.17 4.10 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 0.00 140 A 8.24 3.86 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 0.00 141 A 8.14 4.07 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 0.00 142 M 7.62 4.28 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.86 0.00 143 N 7.87 5.06 0.00 2.59 2.67 0.00 0.00 6.97 7.61 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 0.00 144 P 0.00 4.40 0.00 2.21 2.14 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 145 T 7.94 4.58 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 1.18 0.00 0.00 146 L 7.93 4.59 0.00 0.76 1.24 0.56 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 4.76 0.00 1.95 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 0.00 2.30 2.34 0.00 148 D 8.65 4.84 0.00 2.72 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 0.00 149 T 8.56 3.91 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 150 G 7.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.97 4.22 0.00 3.11 3.10 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 0.00 152 Q 7.75 4.26 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 153 V 8.07 3.51 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 0.73 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.