NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5546 8.2993 120.0949 56.0241 34.6134 175.5777 3 T 4.8530 7.9930 108.3050 58.8753 71.9921 172.3746 4 F 4.7934 10.1381 127.8480 56.6967 42.1846 175.2300 5 I 4.8502 8.0031 126.6944 59.6381 39.7655 174.3844 6 I 4.9986 9.1832 128.4543 59.4563 40.1730 174.7494 7 G 3.8699 9.1717 114.2429 44.4523 0.0000 172.7227 8 I 5.0971 8.5856 123.9561 59.8418 40.5307 174.0535 9 S 5.8409 9.5727 123.2258 55.4258 65.8617 172.2062 10 G 3.8050 8.6627 105.5768 42.2183 0.0000 173.1061 11 V 3.7758 7.6235 120.4289 61.2011 31.7059 175.5132 12 T 3.8403 8.2396 114.7504 63.5668 66.3136 173.0955 13 N 4.3282 8.9678 122.9255 54.3012 36.1962 176.3934 14 S 4.2285 7.6944 114.5858 59.5971 63.5987 174.8715 15 G 4.2630 7.5950 109.3603 45.7850 0.0000 176.1507 16 K 3.9371 8.4957 121.2910 59.6260 32.2083 179.1614 17 T 3.9269 7.8859 115.4384 66.9840 68.2347 176.7268 18 T 3.9438 7.7982 117.2604 66.2587 68.6053 176.5881 19 L 3.9788 7.9898 122.2310 57.8068 42.1036 178.7490 20 A 4.0011 8.0269 120.7950 55.1774 18.2850 179.7207 21 K 3.8791 7.8577 116.4244 59.7128 32.2544 179.0611 22 N 3.9814 7.7790 116.4922 56.3008 38.3574 177.1291 23 L 4.2919 7.9317 119.8875 58.1500 41.6202 179.3125 24 Q 4.0114 7.9710 117.9033 59.4133 29.0042 178.5097 25 K 4.0443 8.0239 117.9907 59.3909 32.1999 178.1748 26 H 4.7486 7.7830 112.2956 54.6894 29.3989 174.7403 27 L 4.8799 7.7071 122.2705 52.2818 43.2847 174.5290 28 P 4.5043 0.0000 0.0000 63.3230 32.9526 175.2523 29 N 4.1747 8.6779 117.1361 55.3765 37.3173 172.8476 30 C 5.4937 8.0658 115.9390 57.8585 34.3343 173.3824 31 S 5.0253 9.7149 121.8521 56.7745 66.5695 172.9309 32 V 4.9320 8.1559 119.3968 61.4509 34.7672 174.3377 33 I 4.7023 8.7787 127.1620 59.6867 40.9785 174.3250 34 S 5.4317 8.6377 122.5197 56.0874 64.6020 175.3124 35 Q 4.1397 9.3007 126.4146 58.7462 29.0840 177.7097 36 D 4.7363 8.1702 116.3258 56.9060 41.1038 176.7007 37 D 4.5924 8.1233 117.0922 55.3887 41.0455 176.6652 38 F 4.7337 8.0626 117.9232 57.0344 39.5239 175.1499 39 F 4.8328 8.2327 119.0120 57.4015 39.4203 175.6331 40 K 4.5412 9.1574 122.2403 55.3089 32.8106 175.3746 41 P 4.4119 0.0000 0.0000 62.8481 31.8837 176.7469 42 E 3.7438 9.2990 122.8184 59.6514 29.5082 178.7594 43 S 4.3850 8.0735 110.5257 59.5255 63.4516 174.1322 44 E 4.5199 9.0261 120.6024 56.2965 30.2001 175.8859 45 I 4.1752 7.2288 120.2132 60.6035 38.3593 175.1266 46 E 4.8824 8.5666 123.7568 54.7943 32.9533 174.6930 47 T 5.1137 8.2170 112.1709 59.7916 71.0147 174.0551 48 D 4.6977 8.9206 126.0444 52.3031 40.7039 176.9600 49 K 3.7924 8.8173 118.0400 60.1246 31.8053 177.8625 50 N 4.3973 8.2405 112.1016 52.8808 38.7948 174.9207 51 G 3.6717 8.1359 105.7966 46.8005 0.0000 174.7743 52 F 5.3553 8.3378 116.6097 55.2096 42.2243 175.6998 53 L 4.5820 8.9048 126.1380 55.1912 42.1063 178.1511 54 Q 4.3580 9.0367 124.7345 55.0828 27.1059 174.7705 55 Y 4.6609 8.2723 117.2218 58.9466 39.8208 176.0870 56 D 5.4076 8.3499 120.2461 54.1232 41.6083 176.1533 57 V 4.7378 7.5887 110.3887 59.4325 36.3432 176.8869 58 L 3.9290 8.5476 122.0400 57.9672 41.5948 179.0592 59 E 4.1735 8.2555 115.5108 57.8244 29.5677 176.8997 60 A 4.7189 8.2844 121.9538 51.6261 19.4307 176.2872 61 L 5.2110 7.5964 115.7120 53.5318 45.3881 176.0358 62 N 4.7195 9.2459 119.5895 52.3480 39.7428 176.2545 *64 E 4.3836 8.5010 118.2974 56.2805 32.0931 177.1408 65 K 4.2820 7.2640 119.7821 55.7300 30.3492 176.9010 *68 S 4.3189 7.9815 116.5589 58.0762 64.7127 175.6131 69 A 4.1159 8.0205 121.7866 55.1780 17.7464 179.7351 70 I 3.8150 7.5806 117.3751 64.5035 37.3698 178.2605 71 S 4.3224 7.8979 114.7051 61.7549 62.9951 176.0068 72 C 4.4782 8.3662 119.5328 62.4980 27.8706 176.5983 73 W 4.1187 7.9401 125.9242 58.2722 29.9212 177.0578 *75 E 4.1936 8.1548 117.7311 55.8051 30.7866 177.9261 76 S 4.1271 8.2239 112.9572 60.1499 63.5806 175.3283 77 A 3.6478 7.5876 124.7205 54.9500 18.0422 179.6996 78 R 4.1181 7.0967 110.6676 57.3064 29.3642 176.8174 79 H 4.7589 7.8833 115.6089 54.8792 29.8585 173.6663 *92 I 3.9639 7.7800 118.9613 60.0654 39.0036 173.3794 93 P 4.7759 0.0000 0.0000 63.3488 32.5914 175.3140 94 I 5.3678 9.6277 124.4560 59.4982 40.8424 174.0267 95 L 4.5503 8.8559 129.0193 53.0952 44.4143 174.8018 96 I 4.8497 8.5805 127.7419 59.8709 39.4773 174.6918 97 I 4.8369 9.1650 129.4271 59.7253 39.0116 174.3761 98 E 5.1368 8.6236 126.2128 54.4374 32.2349 175.4678 99 G 4.3223 8.0385 107.0092 46.0571 0.0000 174.1372 100 F 4.9034 9.4360 115.6345 57.2252 38.7157 176.2201 101 L 3.3471 7.1098 122.7490 53.1318 42.2827 174.1194 102 L 4.6270 8.8528 122.4221 55.6865 44.0826 178.3362 103 F 5.5795 8.1941 114.5915 57.9599 38.6314 175.3190 104 N 5.1025 8.6279 115.2824 52.4321 38.1314 173.5141 105 Y 4.6038 7.9838 121.3811 55.8001 39.1231 175.8145 106 K 4.2597 8.4704 127.2505 58.2816 32.3253 177.7519 107 P 4.1113 0.0000 0.0000 65.0190 31.4632 177.2519 108 L 3.7852 7.7966 117.5260 56.0834 42.2463 178.4061 109 D 3.5064 7.6732 118.9440 57.2298 40.7794 178.2401 110 T 4.3381 7.3179 105.9962 61.3998 69.0553 175.0195 111 I 4.0678 7.1066 124.4573 62.4956 39.3896 176.6514 112 W 4.6954 6.9729 118.0395 57.7320 29.3165 175.1481 113 N 4.7430 8.7419 117.9058 53.9115 40.7726 175.2159 114 R 4.5645 7.5228 117.3675 55.0331 33.9381 173.9638 115 S 4.9097 8.2051 120.7213 56.8125 66.9796 172.4018 116 Y 5.1596 9.1474 121.2804 56.1060 42.0152 174.3920 117 F 5.1689 9.1263 125.1699 56.3667 42.3344 173.6480 118 L 4.8414 8.4089 127.3979 54.6674 42.5638 176.6508 119 T 4.8129 9.4773 120.5899 61.7989 71.2310 172.9917 120 I 4.9380 8.3658 125.9732 58.2705 41.1994 173.3462 121 P 4.6331 0.0000 0.0000 62.5620 32.2900 176.7479 122 Y 3.1758 8.7029 120.4963 60.9000 38.0224 178.4125 123 E 3.7169 8.0670 118.8864 58.9359 29.5182 178.7984 124 E 3.8819 7.9266 119.1191 59.1778 29.8060 178.1028 125 C 4.0469 7.9341 118.7807 62.3627 31.4452 175.4135 126 K 2.4800 7.1250 120.0327 58.7703 31.7966 178.5620 127 R 3.8092 7.2381 117.8674 59.5232 30.0617 178.5772 128 R 3.8779 8.1121 118.1365 59.4244 29.9066 179.1010 129 R 4.1833 8.1648 118.8116 59.1261 29.8690 177.9890 130 S 4.4149 7.7091 112.0076 59.5941 63.4242 175.1749 131 T 4.3667 7.4806 112.2457 60.8311 69.2978 174.0458 132 R 4.2030 7.1245 122.8608 54.3627 31.6821 175.0904 133 V 3.8828 8.0460 125.6225 61.9852 31.5847 175.0686 134 Y 4.1540 8.2702 125.4819 56.9967 39.1178 174.6526 135 Q 4.2516 8.0883 121.0462 53.6290 30.8758 172.7124 136 P 4.4215 0.0000 0.0000 61.6521 32.1437 174.6192 137 P 4.5479 0.0000 0.0000 61.7674 31.8684 176.2740 138 D 4.0395 8.5309 121.6002 54.3351 41.3464 177.0116 139 S 4.4241 8.0972 118.6126 56.8794 64.0757 171.6333 140 P 4.5353 0.0000 0.0000 63.8881 31.5248 176.7818 141 G 4.0936 9.0664 111.4247 47.3035 0.0000 175.1714 142 Y 3.7210 8.1637 122.4795 60.0278 38.7226 176.4203 143 F 3.9469 8.3857 121.1264 61.8323 39.2564 176.8480 144 D 4.5286 8.3173 116.8191 56.8989 40.8563 178.2435 145 G 3.7432 7.6723 104.4031 46.0101 0.0000 173.4957 146 H 4.4402 7.6550 118.1907 57.6496 32.8114 174.5069 147 V 3.7236 7.0922 116.2293 65.1192 31.7710 176.8896 148 W 4.1120 8.3806 129.7754 59.9866 30.9380 177.1296 149 P 4.0243 0.0000 0.0000 63.3108 30.7414 177.3991 *151 Y 4.6705 8.0666 120.7382 57.6935 40.5573 177.0490 152 L 3.4105 7.3028 119.4670 57.4409 41.5503 179.4720 153 K 3.8720 7.7594 119.2076 59.5135 31.8796 178.3413 154 Y 4.1842 7.6261 118.4379 60.8439 38.9490 177.3912 155 R 3.5097 7.5430 118.1014 59.1589 30.0952 178.4580 156 Q 3.9943 7.5395 118.1937 58.3691 29.7226 177.0706 157 E 4.1833 7.6557 120.2276 56.3101 28.7844 177.6364 *159 Q 4.1666 7.9259 117.3430 55.6533 31.0828 176.5896 160 D 4.4896 7.8537 115.8020 55.0543 41.6132 176.7908 161 I 3.1477 7.3753 119.0696 62.1053 37.1649 175.4641 162 T 4.2080 8.4046 114.3534 61.8249 69.8605 174.6724 163 W 4.6376 7.7353 118.7920 54.9709 30.2024 174.2935 164 E 4.2790 8.7293 119.1053 54.7827 29.8689 174.8170 165 V 4.1066 7.8887 125.8476 60.8625 33.9376 174.7461 166 V 4.0866 8.2182 128.6152 61.9890 32.4080 174.3775 167 Y 4.8314 8.7774 126.5206 57.7274 38.8617 175.0926 168 L 4.9026 9.3025 123.8769 52.8988 45.6504 175.3718 169 D 4.9384 8.7707 122.8036 53.3452 41.6367 176.9691 170 G 3.9177 9.1581 116.2463 47.0280 0.0000 173.5787 171 T 4.1505 7.6489 109.0162 63.1048 69.4318 175.4250 172 K 4.1126 7.4921 120.9045 55.8784 32.9825 176.8776 173 S 4.2449 8.4620 113.8870 58.9219 63.5565 174.6938 174 E 4.0238 8.6980 126.5757 58.9825 29.4357 178.6740 175 E 4.2907 8.1073 117.0793 58.7919 30.0724 178.4122 176 D 4.3587 8.0626 119.6213 57.1778 40.9822 178.4247 177 L 3.9690 7.8483 119.0315 57.7099 41.6127 179.1387 178 F 4.2164 7.8710 119.5845 61.6330 39.3121 177.2877 179 L 3.7233 8.2195 118.5190 57.2843 40.9958 179.3002 180 Q 3.9122 8.1239 120.0426 59.2046 29.0417 178.5233 181 V 3.4546 7.7166 119.2646 65.7567 31.6195 177.1482 182 Y 4.1650 8.0113 119.7677 60.8620 38.4220 177.9480 183 E 3.7498 8.0541 119.1458 59.4704 29.6904 178.5792 184 D 4.3856 7.6514 116.4369 57.7551 41.2093 178.5111 185 L 4.0680 8.3811 119.4559 58.0917 41.5394 179.6781 186 I 3.6959 7.4122 119.0228 63.7741 36.7382 177.3822 187 Q 4.4464 7.8662 117.2640 56.0699 28.6391 176.2143 188 E 4.5774 7.5797 120.2648 57.6249 32.4899 178.3231 189 L 3.8442 8.0157 118.2054 56.9996 41.9962 179.0866 190 A 3.9920 8.1953 121.8048 55.0010 18.2984 177.8177 191 K 4.4941 7.4683 114.1270 57.1597 32.5129 177.1182 192 Q 4.2118 7.8828 123.8827 56.1868 29.3825 175.4996 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 K 8.30 4.55 0.00 1.67 1.94 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 T 7.99 4.85 4.66 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 1.14 0.00 0.00 4 F 10.14 4.79 0.00 3.18 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 5 I 8.00 4.85 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.91 0.00 0.00 6 I 9.18 5.00 2.06 0.00 0.00 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 1.61 1.02 1.23 0.00 0.00 7 G 9.17 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 8 I 8.59 5.10 1.90 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 1.31 1.17 0.94 0.00 0.00 9 S 9.57 5.84 0.00 2.98 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 10 G 8.66 3.80 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 0.00 0.00 0.00 11 V 7.62 3.78 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 0.00 0.00 0.64 0.00 0.00 0.70 0.00 0.00 12 T 8.24 3.84 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 1.34 0.00 0.00 13 N 8.97 4.33 0.00 3.07 2.88 0.00 0.00 6.84 7.57 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 14 S 7.69 4.23 0.00 3.93 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 15 G 7.59 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 16 K 8.50 3.94 0.00 1.83 1.95 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.50 7.81 17 T 7.89 3.93 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 1.21 0.00 0.00 18 T 7.80 3.94 4.36 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 1.22 0.00 0.00 19 L 7.99 3.98 0.00 1.89 1.80 0.98 1.21 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 20 A 8.03 4.00 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 21 K 7.86 3.88 0.00 1.76 1.82 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.60 7.81 22 N 7.78 3.98 0.00 2.65 1.78 0.00 0.00 7.06 7.48 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 23 L 7.93 4.29 0.00 1.95 1.89 0.99 1.13 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 24 Q 7.97 4.01 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 25 K 8.02 4.04 0.00 1.61 1.64 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.69 7.81 26 H 7.78 4.75 0.00 3.09 3.38 0.00 5.83 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.71 4.88 0.00 1.85 1.71 1.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.50 0.00 2.23 2.10 0.00 4.01 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 29 N 8.68 4.17 0.00 3.00 2.91 0.00 0.00 6.54 7.65 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 30 C 8.07 5.49 0.00 3.09 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 31 S 9.71 5.03 0.00 3.74 3.79 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 0.00 0.00 0.00 32 V 8.16 4.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.02 0.00 0.00 33 I 8.78 4.70 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 1.02 0.00 0.00 34 S 8.64 5.43 0.00 4.11 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 35 Q 9.30 4.14 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 36 D 8.17 4.74 0.00 2.88 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 37 D 8.12 4.59 0.00 2.56 2.40 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 0.00 38 F 8.06 4.73 0.00 3.17 3.14 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 39 F 8.23 4.83 0.00 3.03 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 40 K 9.16 4.54 0.00 1.74 1.81 0.00 1.87 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.71 1.48 7.81 41 P 0.00 4.41 0.00 2.15 2.22 0.00 3.83 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 2.12 2.06 0.00 42 E 9.30 3.74 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 2.46 2.50 0.00 43 S 8.07 4.39 0.00 4.03 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 44 E 9.03 4.52 0.00 1.98 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 2.27 2.27 0.00 45 I 7.23 4.18 1.63 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.09 0.23 0.00 0.00 46 E 8.57 4.88 0.00 1.89 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 2.29 2.25 0.00 47 T 8.22 5.11 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 1.23 0.00 0.00 48 D 8.92 4.70 0.00 3.01 3.09 0.00 0.00 0.00 0.00 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7.98 4.32 0.00 3.91 4.18 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 69 A 8.02 4.12 1.50 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 0.00 0.00 70 I 7.58 3.82 1.81 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 1.53 0.44 0.86 0.00 0.00 71 S 7.90 4.32 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 8.37 4.48 0.00 3.20 3.04 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 0.00 0.00 0.00 73 W 7.94 4.12 0.00 3.48 3.40 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 0.00 *75 E 8.15 4.19 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.69 0.00 76 S 8.22 4.13 0.00 3.91 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 77 A 7.59 3.65 0.35 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.10 4.42 0.00 4.13 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 0.00 140 P 0.00 4.54 0.00 2.16 2.12 0.00 3.88 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 2.08 2.14 0.00 141 G 9.07 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.16 3.72 0.00 3.25 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 0.00 143 F 8.39 3.95 0.00 3.19 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 0.00 144 D 8.32 4.53 0.00 2.81 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 0.00 145 G 7.67 3.74 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 0.00 0.00 0.00 146 H 7.66 4.44 0.00 2.19 2.13 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.09 3.72 1.78 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 0.96 0.00 0.00 0.63 0.00 0.00 148 W 8.38 4.11 0.00 2.85 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 0.00 149 P 0.00 4.02 0.00 2.13 2.04 0.00 3.60 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 2.05 2.12 0.00 *151 Y 8.07 4.67 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 0.00 152 L 7.30 3.41 0.00 1.69 1.51 0.99 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.76 3.87 0.00 1.91 1.76 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.43 7.81 154 Y 7.63 4.18 0.00 2.78 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 0.00 155 R 7.54 3.51 0.00 1.54 1.65 0.00 3.04 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 156 Q 7.54 3.99 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.65 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 157 E 7.66 4.18 0.00 2.21 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 2.35 2.56 0.00 *159 Q 7.93 4.17 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 160 D 7.85 4.49 0.00 2.62 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 0.00 161 I 7.38 3.15 1.35 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.04 -0.34 0.00 0.00 162 T 8.40 4.21 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 1.28 0.00 0.00 163 W 7.74 4.64 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 0.00 164 E 8.73 4.28 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 165 V 7.89 4.11 1.52 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 0.02 0.00 0.00 0.00 0.00 0.00 166 V 8.22 4.09 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 1.19 0.00 0.00 0.84 0.00 0.00 167 Y 8.78 4.83 0.00 2.98 3.06 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 0.00 168 L 9.30 4.90 0.00 1.61 1.60 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.77 4.94 0.00 2.80 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 0.00 170 G 9.16 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 0.00 171 T 7.65 4.15 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 1.25 0.00 0.00 172 K 7.49 4.11 0.00 2.03 1.84 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.43 7.81 173 S 8.46 4.24 0.00 3.90 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 0.00 174 E 8.70 4.02 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 175 E 8.11 4.29 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 176 D 8.06 4.36 0.00 2.95 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 0.00 177 L 7.85 3.97 0.00 1.76 1.74 0.98 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 0.00 178 F 7.87 4.22 0.00 3.05 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.22 3.72 0.00 1.69 1.65 1.00 1.02 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 0.00 180 Q 8.12 3.91 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 181 V 7.72 3.45 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 0.21 0.00 0.00 0.53 0.00 0.00 182 Y 8.01 4.17 0.00 2.27 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 0.00 183 E 8.05 3.75 0.00 2.03 1.94 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 2.28 2.54 0.00 184 D 7.65 4.39 0.00 2.99 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 0.00 185 L 8.38 4.07 0.00 2.02 1.65 1.28 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.41 3.70 1.76 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.76 0.00 0.00 187 Q 7.87 4.45 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 188 E 7.58 4.58 0.00 2.29 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 0.00 2.37 2.53 0.00 189 L 8.02 3.84 0.00 1.54 1.57 0.78 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.20 3.99 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 0.00 191 K 7.47 4.49 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.41 7.81 192 Q 7.88 4.21 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.