NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5052 8.2233 120.1941 54.2258 42.9790 176.8533 *4 Q 4.4260 7.9593 118.9783 55.7929 30.9398 177.2859 5 H 4.1566 8.1388 116.6962 59.2718 30.0357 177.0174 6 R 3.8389 8.4689 120.9172 59.4443 29.7552 178.4018 7 I 3.7879 7.7243 118.9220 64.6533 37.1721 178.2657 8 R 3.8888 7.9231 118.7477 59.3868 29.8812 178.8003 9 Q 3.9319 8.3542 119.5017 59.3354 29.0426 178.5950 10 L 4.0409 8.0426 119.8257 57.6196 41.7494 179.2046 11 F 3.8815 8.7395 118.2124 60.8155 38.8631 177.5631 12 Q 4.0824 8.6086 118.8835 58.7966 28.7858 177.8306 13 A 4.0068 8.2155 122.1742 55.0465 18.2593 179.5443 14 S 3.9699 8.1132 111.6431 61.6027 62.6084 176.5443 15 I 3.7549 7.8410 122.4925 64.3660 36.8671 178.3275 16 E 4.1475 8.6095 119.8936 59.8030 29.3119 179.4466 17 T 3.8960 8.1112 115.8556 66.7174 68.4391 176.8083 18 K 4.0537 7.9110 120.4104 59.3560 31.8130 179.5112 19 Q 4.0912 7.8428 117.4978 58.7620 28.9986 178.3358 20 Q 4.1233 8.2136 118.9988 58.9178 28.7312 178.5612 21 A 3.9956 8.1144 121.7945 55.0864 18.1885 179.0896 22 L 3.8710 8.1136 118.2060 58.8017 42.0981 179.0018 23 E 4.1563 8.0012 116.9227 58.4438 29.4523 178.5995 24 V 4.4154 7.7239 109.5619 61.4074 33.9940 177.1270 25 L 4.5256 8.2187 118.7559 56.3447 41.8237 176.8643 26 P 4.2493 0.0000 0.0000 65.5385 31.2648 176.5871 27 P 4.1224 0.0000 0.0000 65.7496 31.1536 178.3035 28 Y 4.1387 7.6732 115.1066 60.9554 37.9410 177.9940 29 I 3.7625 8.1561 121.0713 64.2058 37.1750 178.0626 30 E 3.9071 8.3645 120.2461 59.3672 29.4366 178.6699 31 Q 3.9222 8.0649 119.3571 58.9869 28.8698 178.0275 32 A 3.9847 7.9064 120.9477 55.2898 18.5823 179.3967 33 S 4.2391 7.9069 111.2841 61.5559 63.1292 176.4227 34 L 4.1519 7.9535 122.5040 57.4684 40.8438 180.1377 35 V 3.7417 7.8147 115.0075 64.0017 31.4113 177.4812 *37 V 3.9668 7.6978 118.3804 62.4763 33.1009 177.0157 38 N 4.2919 8.3654 117.6173 56.4903 38.5541 176.7832 39 A 4.0104 7.7203 121.3295 54.9393 18.4407 179.5753 40 L 4.0902 7.8253 116.9987 58.1373 41.6145 179.5146 41 L 3.9919 7.8033 117.3443 57.3735 41.4672 178.2946 42 N 4.7975 7.4809 114.5801 52.2091 39.0769 174.5924 43 E 3.7633 8.2070 118.3134 57.5457 27.5198 174.7817 44 G 4.2157 8.1917 106.5578 44.8972 0.0000 173.0396 45 K 4.9963 9.4143 118.6782 55.0478 36.8181 174.9269 46 I 5.0299 8.4851 120.3916 59.5505 39.8525 174.9083 47 L 5.2916 9.0691 127.6700 53.0075 43.9613 175.7505 48 S 5.3597 8.7440 117.9913 56.9550 66.3983 172.6339 49 C 4.4956 8.3534 115.1869 57.4263 32.8899 172.6913 50 G 4.4723 7.7431 104.7879 45.9890 0.0000 172.1710 51 N 5.1046 8.4467 118.0798 51.1146 41.2708 174.7992 52 G 3.8406 9.0868 111.8704 46.8183 0.0000 175.5870 53 G 3.9914 9.0687 111.5590 46.2695 0.0000 173.9778 54 S 4.6405 7.9612 116.2299 58.6808 64.3562 176.1638 55 A 4.1990 8.2038 124.4112 55.2120 18.1280 179.8548 56 G 3.6313 8.1003 103.6517 48.0045 0.0000 175.5373 57 D 4.4677 7.9988 120.4912 57.1594 40.7864 178.4857 58 A 4.0362 8.1033 121.6637 54.9072 18.2917 179.3973 59 Q 4.1230 8.0303 115.5310 58.7675 29.0313 177.8000 60 H 4.0990 8.7572 120.7547 59.1663 30.0676 176.6635 61 F 4.1094 8.3594 122.3044 61.6930 39.1834 177.3952 62 S 4.0352 8.0239 114.6253 61.3577 62.6055 176.8383 63 S 4.0316 8.5359 117.3312 61.8772 62.5670 176.2923 64 E 3.7736 7.4334 121.1202 59.0231 29.4695 179.4275 65 L 4.0698 7.2725 117.6880 57.3213 41.5939 179.3450 66 L 4.4317 7.9974 120.9258 56.4268 42.2654 176.7162 67 N 4.6411 7.9705 119.0411 51.9556 38.4536 173.7459 68 R 4.6350 7.9424 125.1708 54.3377 33.2113 174.2393 *72 E 4.0753 8.4235 114.6330 55.9059 30.5223 176.4724 73 R 3.8328 7.6782 113.3090 54.8087 30.4967 174.5290 74 P 4.2235 0.0000 0.0000 62.1319 31.8675 176.5954 75 S 4.0855 8.5086 116.2510 58.7215 62.7641 173.2377 76 L 4.6335 8.5669 128.2836 52.6776 43.5707 175.0556 77 P 4.8758 0.0000 0.0000 62.6592 29.7191 172.9191 78 A 5.2362 8.0637 127.0587 50.7659 21.9587 175.2307 79 V 4.4471 8.7225 122.2853 60.9422 34.6222 174.7273 80 A 4.7543 8.7028 129.5267 51.7684 19.4070 176.5074 81 L 4.4311 8.3459 121.7411 54.6071 42.7682 176.6687 82 T 4.5265 8.4254 118.4868 64.2750 72.3453 173.7088 83 T 3.2439 8.5091 116.7359 64.9334 65.1552 172.0711 *97 Y 4.2216 7.5334 122.2043 57.9734 38.4909 173.6119 98 N 4.7366 7.9424 122.2264 53.0012 39.2587 176.1697 99 E 4.7704 6.6317 117.7957 55.3687 29.3723 177.7286 100 V 3.7399 7.3905 114.0911 64.6523 31.6433 178.2428 101 F 4.6232 7.6253 116.8041 60.6261 39.1320 177.6777 102 S 4.1848 8.2396 113.4350 61.8277 62.4592 176.6917 103 K 4.0193 8.3105 121.9462 59.2257 31.7108 179.4223 104 Q 4.0818 7.7488 118.7933 58.9704 28.5833 178.8246 105 I 3.7329 7.9904 120.9031 64.4975 36.9111 178.7487 106 R 3.9823 7.9647 117.7112 59.0429 29.9293 178.7155 107 A 4.1387 7.9534 119.8441 54.7640 18.5196 178.8474 108 L 4.4792 8.1461 115.7923 54.8958 43.1274 177.7136 109 G 3.9253 7.8816 107.5718 44.9528 0.0000 172.8743 110 Q 4.6959 9.1345 120.5203 52.5297 32.4023 173.3468 111 P 4.6552 0.0000 0.0000 63.9479 31.6613 176.9812 112 G 4.0147 9.1260 111.6683 45.4347 0.0000 173.4832 113 D 4.7422 7.8013 118.7619 54.5574 41.9595 175.9152 114 V 4.5931 8.5446 119.8010 61.1253 34.6403 173.8796 115 L 4.9525 8.8947 130.3774 53.5877 43.8369 174.6575 116 L 4.8494 8.8473 129.5258 53.8606 43.5296 174.8361 117 A 4.9704 8.9911 129.3250 50.1705 21.6159 174.6478 118 I 4.7871 8.4777 124.0665 59.6803 40.2127 175.2029 119 S 4.7606 8.8515 121.4826 57.4693 65.3309 175.4774 120 T 3.9303 9.0060 118.1875 63.9557 69.2229 175.9403 121 S 4.4095 8.1735 115.5072 57.5483 64.4418 175.5973 122 G 4.2734 8.6807 107.9082 46.9433 0.0000 173.3649 123 N 4.8293 7.5817 113.0837 52.5525 39.3226 175.4286 124 S 4.2348 7.9631 116.2081 58.1762 63.6129 174.4074 125 A 3.9937 8.7358 130.0961 55.2734 18.1590 178.6425 126 N 4.8109 7.9679 115.8309 54.8370 37.7517 177.5250 127 V 3.8906 7.8155 120.4447 65.5258 31.7832 177.7719 128 I 3.6810 8.1107 120.1945 64.5014 36.9972 178.0742 129 Q 3.9294 8.2152 120.0083 59.0542 28.7842 177.8911 130 A 4.0530 8.0441 121.8279 55.6162 18.3971 179.7760 131 I 3.5746 7.9045 118.0284 64.2192 37.0364 178.5448 132 Q 3.9060 7.9711 119.8840 59.0590 29.0746 177.9548 133 A 3.9679 7.9653 121.6059 55.2804 18.1973 179.4498 134 A 3.9660 7.9194 118.0201 55.6052 18.6993 179.3401 135 H 4.4100 8.2074 114.7178 59.2076 28.6000 177.6839 136 D 4.4875 8.3531 119.9328 56.9085 40.6572 178.1564 137 R 4.6351 7.7519 116.4410 54.1550 30.5170 173.9638 138 E 3.7125 7.9082 122.2936 56.5096 27.3111 173.4852 *140 L 4.5616 7.7933 122.0064 54.4162 44.0215 175.9578 141 V 4.7675 8.4501 120.2629 61.1708 34.7466 174.3031 142 V 4.7385 9.0094 128.2103 61.3611 33.2639 174.0098 143 A 5.0703 9.1531 130.9839 50.2502 21.3299 174.9903 144 L 4.9292 8.8422 124.2721 53.7085 43.7728 176.0906 145 T 5.7726 8.1921 114.2180 59.9888 73.0396 171.7414 146 G 4.0723 8.2712 106.4696 47.0249 0.0000 174.0483 147 R 3.5027 7.7015 121.6102 57.8660 29.8330 177.0798 148 D 4.6255 8.9192 125.7767 53.9635 39.9324 176.2957 149 G 3.8980 8.1208 110.2226 44.0286 0.0000 175.2307 150 G 4.2522 8.0108 107.9485 44.5331 0.0000 176.1749 151 G 3.9669 8.2367 108.1902 45.3396 0.0000 175.8202 *153 A 4.2967 8.2334 124.3636 51.7812 20.3869 180.1366 154 S 4.2670 7.4712 108.8977 60.7500 63.2785 175.2401 155 L 4.2946 7.3398 118.1543 55.4413 41.8679 177.0843 156 L 4.3047 7.2978 118.9111 54.5534 42.1753 177.1366 157 L 4.4125 9.1741 123.8124 53.0895 42.7572 176.2703 158 P 4.2953 0.0000 0.0000 65.8326 31.2542 178.0719 159 E 4.1730 8.0327 115.5880 58.1513 29.8427 176.7537 160 D 4.7384 7.7037 118.7087 54.2211 41.9553 175.8468 161 V 4.4763 8.8767 121.1336 61.1144 34.3470 173.7788 162 E 4.9207 8.8368 128.0039 54.6073 31.7257 175.3310 163 I 4.1580 9.3040 129.4160 59.6843 38.3807 173.7966 164 R 4.7928 7.8597 126.8926 53.3815 30.7952 175.7793 165 V 3.6414 8.4755 128.3764 62.8221 32.5452 173.7825 166 P 4.8335 0.0000 0.0000 61.0462 30.0473 174.7835 167 S 4.5851 7.7571 119.7709 58.7760 65.4655 175.8212 168 K 4.3219 8.9047 122.6507 56.5703 33.4941 177.0577 169 I 4.1454 7.5331 121.6966 60.2667 38.1619 176.1950 170 T 3.8293 8.6486 122.2262 67.0220 68.4980 176.2657 171 A 4.4293 7.7914 123.0751 54.5551 18.4557 179.8040 172 R 4.1015 7.7464 117.6399 58.6895 30.1929 178.8185 173 I 3.5673 7.7531 119.6881 64.6956 37.0145 178.3374 174 Q 3.9641 7.9794 118.4899 59.0351 28.4043 178.9837 175 E 3.9143 7.9490 119.2571 59.4355 29.4328 179.6301 176 V 3.7007 7.9083 118.3120 65.9581 31.4632 177.5656 177 H 4.1975 8.4655 116.6103 58.9848 28.6472 177.1542 178 L 3.8456 7.8744 121.7648 58.0934 41.7576 178.7986 179 L 3.9093 7.6816 119.8737 58.0849 42.0760 178.3990 180 A 4.0136 8.6458 121.3249 55.5111 18.2150 179.5500 181 I 3.6905 7.9630 118.0719 65.1159 37.2829 178.3429 182 H 4.3238 8.3231 116.8011 59.2303 28.3937 177.6866 183 C 4.2353 8.5364 118.9128 62.7411 27.9554 176.1647 184 L 4.0577 8.1312 120.6403 57.9436 41.2343 179.2790 185 C 4.1608 8.4559 116.7691 62.8666 28.1206 175.7063 186 D 4.3126 7.9623 118.9532 57.5481 40.8957 178.3904 187 L 4.0920 8.3211 119.5998 57.6012 41.5847 179.6536 188 I 3.7278 7.8687 120.2058 64.2823 37.0045 178.1948 189 D 4.3684 8.1468 119.7757 57.3751 40.7263 178.8611 190 R 3.8362 7.9682 118.5253 59.6077 29.9070 179.2402 191 Q 3.9729 7.7872 116.2332 58.7296 28.7110 178.4525 192 L 3.8822 7.3800 118.9820 56.6232 41.7976 177.8545 193 F 4.9103 8.2637 115.0605 56.4224 41.3822 176.2260 194 G 4.1133 7.9292 107.2451 44.6568 0.0000 173.9090 195 S 4.3069 8.5735 115.6143 58.8057 62.7923 174.5432 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 D 8.22 4.51 0.00 2.78 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 *4 Q 7.96 4.43 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 5 H 8.14 4.16 0.00 3.18 3.49 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.47 3.84 0.00 2.00 1.93 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 7 I 7.72 3.79 2.00 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 1.71 0.59 0.98 0.00 0.00 8 R 7.92 3.89 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 9 Q 8.35 3.93 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 10 L 8.04 4.04 0.00 1.94 1.68 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.74 3.88 0.00 3.32 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 12 Q 8.61 4.08 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 13 A 8.22 4.01 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 14 S 8.11 3.97 0.00 3.92 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 15 I 7.84 3.75 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.13 0.94 0.00 0.00 16 E 8.61 4.15 0.00 2.02 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 2.34 2.47 0.00 17 T 8.11 3.90 4.34 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 1.19 0.00 0.00 18 K 7.91 4.05 0.00 1.90 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 19 Q 7.84 4.09 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 20 Q 8.21 4.12 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 21 A 8.11 4.00 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 22 L 8.11 3.87 0.00 1.75 1.98 0.94 0.91 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 23 E 8.00 4.16 0.00 2.12 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 2.51 2.50 0.00 24 V 7.72 4.42 2.18 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 0.86 0.00 0.00 0.96 0.00 0.00 25 L 8.22 4.53 0.00 1.80 1.78 0.94 1.07 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 26 P 0.00 4.25 0.00 2.15 2.13 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 27 P 0.00 4.12 0.00 1.53 1.85 0.00 3.68 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 1.94 2.07 0.00 28 Y 7.67 4.14 0.00 3.12 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 29 I 8.16 3.76 1.91 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 1.44 1.08 0.94 0.00 0.00 30 E 8.36 3.91 0.00 2.01 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 2.28 2.30 0.00 31 Q 8.06 3.92 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 32 A 7.91 3.98 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 33 S 7.91 4.24 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.95 4.15 0.00 1.98 1.74 0.90 0.90 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 35 V 7.81 3.74 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 0.99 0.00 0.00 0.93 0.00 0.00 *37 V 7.70 3.97 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 0.83 0.00 0.00 0.94 0.00 0.00 38 N 8.37 4.29 0.00 2.77 2.79 0.00 0.00 7.15 8.86 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 39 A 7.72 4.01 1.40 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 0.00 0.00 40 L 7.83 4.09 0.00 1.81 1.72 0.91 0.67 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 41 L 7.80 3.99 0.00 1.81 1.73 0.88 0.90 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 42 N 7.48 4.80 0.00 2.64 2.82 0.00 0.00 7.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.21 3.76 0.00 2.11 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 2.26 2.39 0.00 44 G 8.19 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 0.00 0.00 0.00 0.00 45 K 9.41 5.00 0.00 1.91 1.91 0.00 1.27 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.39 7.81 46 I 8.49 5.03 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 1.09 0.00 0.00 47 L 9.07 5.29 0.00 1.52 1.53 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.74 5.36 0.00 3.77 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 49 C 8.35 4.50 0.00 1.23 2.13 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 50 G 7.74 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.45 5.10 0.00 2.71 2.77 0.00 0.00 6.72 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.09 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 53 G 9.07 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 0.00 0.00 0.00 54 S 7.96 4.64 0.00 4.18 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 55 A 8.20 4.20 1.40 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 0.00 0.00 56 G 8.10 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.00 4.47 0.00 2.92 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 58 A 8.10 4.04 1.32 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.48 0.00 100 V 7.39 3.74 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.27 0.00 0.00 101 F 7.63 4.62 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.24 4.18 0.00 4.03 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 0.00 103 K 8.31 4.02 0.00 2.01 1.95 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.48 7.81 104 Q 7.75 4.08 0.00 2.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 105 I 7.99 3.73 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 0.92 0.00 0.00 106 R 7.96 3.98 0.00 1.97 2.00 0.00 3.17 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 107 A 7.95 4.14 1.38 0.00 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 0.00 0.90 0.00 0.00 0.87 0.00 0.00 142 V 9.01 4.74 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 0.84 0.00 0.00 0.90 0.00 0.00 143 A 9.15 5.07 1.17 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 0.00 144 L 8.84 4.93 0.00 1.37 1.24 0.72 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.19 5.77 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 1.18 0.00 0.00 146 G 8.27 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 0.00 0.00 0.00 147 R 7.70 3.50 0.00 1.90 1.24 0.00 3.14 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 148 D 8.92 4.63 0.00 2.76 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 0.00 149 G 8.12 3.90 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 0.00 0.00 0.00 150 G 8.01 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 0.00 0.00 0.00 0.00 151 G 8.24 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 0.00 0.00 0.00 *153 A 8.23 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 0.00 154 S 7.47 4.27 0.00 3.93 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 0.00 155 L 7.34 4.29 0.00 1.71 1.78 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.30 4.30 0.00 1.68 1.62 0.90 0.94 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 0.00 157 L 9.17 4.41 0.00 1.68 1.52 0.62 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.30 0.00 2.03 2.11 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 159 E 8.03 4.17 0.00 1.95 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 2.31 2.32 0.00 160 D 7.70 4.74 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 0.00 161 V 8.88 4.48 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 0.89 0.00 0.00 0.96 0.00 0.00 162 E 8.84 4.92 0.00 1.93 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 0.00 2.02 2.21 0.00 163 I 9.30 4.16 1.82 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 0.53 0.91 0.00 0.00 164 R 7.86 4.79 0.00 1.81 1.69 0.00 2.99 0.00 0.00 3.97 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.00 165 V 8.48 3.64 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 0.85 0.00 0.00 0.91 0.00 0.00 166 P 0.00 4.83 0.00 2.11 2.06 0.00 3.84 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 1.96 1.96 0.00 167 S 7.76 4.59 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 8.90 4.32 0.00 1.75 1.81 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.41 7.81 169 I 7.53 4.15 1.85 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 1.51 1.03 0.89 0.00 0.00 170 T 8.65 3.83 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 1.19 0.00 0.00 171 A 7.79 4.43 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 0.00 172 R 7.75 4.10 0.00 1.79 1.94 0.00 3.56 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.49 0.00 173 I 7.75 3.57 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.67 0.00 0.00 174 Q 7.98 3.96 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 175 E 7.95 3.91 0.00 2.15 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 2.24 2.25 0.00 176 V 7.91 3.70 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 1.04 0.00 0.00 0.94 0.00 0.00 177 H 8.47 4.20 0.00 3.32 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.87 3.85 0.00 1.71 1.77 0.68 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.68 3.91 0.00 1.75 1.84 0.96 1.23 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 0.00 180 A 8.65 4.01 1.40 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 0.00 0.00 181 I 7.96 3.69 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 1.18 0.00 0.00 182 H 8.32 4.32 0.00 3.44 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 C 8.54 4.24 0.00 3.22 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 0.00 184 L 8.13 4.06 0.00 2.04 1.90 0.76 0.81 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 0.00 185 C 8.46 4.16 0.00 3.03 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 0.00 186 D 7.96 4.31 0.00 2.91 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 0.00 187 L 8.32 4.09 0.00 1.73 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 188 I 7.87 3.73 2.09 0.00 0.00 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 1.55 1.23 0.88 0.00 0.00 189 D 8.15 4.37 0.00 2.80 2.85 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 0.00 190 R 7.97 3.84 0.00 1.87 1.99 0.00 3.41 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 191 Q 7.79 3.97 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 192 L 7.38 3.88 0.00 0.60 0.13 0.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 193 F 8.26 4.91 0.00 3.00 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 0.00 194 G 7.93 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.57 4.31 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.