NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 G 3.9429 8.3544 109.7381 45.2719 0.0000 173.7225 53 R 3.8176 8.6538 124.8385 57.5754 31.6117 176.8900 54 G 3.8422 8.4078 105.3661 47.1196 0.0000 173.5048 55 L 4.4207 8.8050 123.3529 54.0110 41.5876 176.1919 56 G 3.9028 7.9642 109.6088 43.8776 0.0000 171.8817 57 P 4.3822 0.0000 0.0000 62.3485 31.6766 176.4973 58 L 4.1728 8.2091 120.2214 55.3025 42.6131 177.8496 59 Q 4.4630 8.2861 121.5797 54.7700 27.4157 173.6588 60 I 4.9067 7.6587 121.0851 59.1511 41.0539 175.3288 61 W 5.5138 8.9414 126.4870 55.4012 32.1927 174.9168 62 Q 5.2901 9.0196 120.3290 54.6344 31.3359 175.0360 63 T 5.2338 8.7538 119.2804 62.1260 72.3389 172.6468 64 D 4.9683 9.0828 123.4833 53.3515 45.6134 173.3920 65 F 5.4586 8.9775 119.8465 56.0782 41.3811 175.3641 66 T 4.9133 9.4229 116.9016 60.4038 71.0201 172.1110 67 L 3.9655 8.3833 130.4718 54.0308 43.1432 175.6845 68 E 4.4377 9.0239 127.4885 53.3947 30.7968 174.0931 69 P 4.1645 0.0000 0.0000 64.7380 31.9332 179.1183 70 R 3.9567 8.6370 117.7008 58.7222 30.0215 177.7804 71 M 4.4774 7.9621 115.6848 54.6240 32.2394 176.1127 72 A 4.1886 7.4590 122.7415 51.5611 18.9445 176.8737 73 P 4.3503 0.0000 0.0000 65.0260 32.3700 177.6266 74 R 4.4845 7.6591 120.5905 55.1147 28.6499 176.1569 75 S 4.4922 7.6168 112.5012 58.8686 65.4405 175.3158 76 W 4.8987 8.3248 122.8540 56.2680 30.1177 175.2146 77 L 5.1397 9.2860 126.3831 53.3430 43.1224 175.6597 78 A 4.1209 8.8549 126.9762 50.6462 20.3333 176.0040 79 V 4.7409 8.5048 122.9122 61.3173 34.6864 174.2935 80 T 5.1652 8.9126 124.8400 61.6080 71.5697 173.3751 81 V 4.6233 8.5578 125.7270 59.7257 34.2819 174.2633 82 D 4.9198 8.8818 126.0094 53.9212 41.3385 176.9113 83 T 4.1005 8.9823 117.4750 64.2128 68.8325 176.0067 84 A 4.2007 8.4899 125.7526 54.2009 18.5591 178.2099 85 S 4.5481 7.5876 106.6088 57.3148 64.7341 175.3463 86 S 3.9385 8.6431 115.5854 58.5471 60.9145 170.2264 87 A 4.3170 7.6314 122.6862 52.1783 19.2394 177.0898 88 I 4.8990 8.8588 121.4170 59.3801 40.3407 175.3496 89 V 4.5190 8.5337 125.5315 60.9562 34.2436 174.6369 90 V 5.1167 8.3936 126.3464 60.1672 34.2267 174.7351 91 T 4.8973 8.8984 113.0712 59.9252 72.3965 172.5206 92 Q 5.2353 8.5370 120.0852 55.1257 31.4554 174.3790 93 H 4.8987 9.1299 116.7786 54.3684 33.0573 175.1029 94 G 3.7426 9.0018 110.5751 47.9488 0.0000 174.2312 95 R 4.6341 7.5877 116.5351 54.0534 34.0190 175.2716 96 V 2.8145 7.5383 121.1713 60.6187 31.0471 175.8820 97 T 4.3874 7.1046 114.4558 58.6546 72.7697 174.5412 98 S 4.1402 8.2437 118.7698 61.3032 62.8596 177.3647 99 V 3.4110 7.5820 119.8758 65.5677 31.1701 177.7039 100 A 3.8336 7.9890 120.6586 54.9352 18.1078 179.3096 101 A 3.3966 7.6778 119.2088 55.2510 18.2501 179.9367 102 Q 2.8146 7.5620 116.2886 58.9938 28.7763 178.6246 103 H 4.2578 8.3160 117.6205 59.0735 28.6559 177.2029 104 H 4.0757 8.2541 120.0771 59.3057 29.6729 177.4166 105 W 4.4615 8.1431 120.6658 59.5404 28.9091 178.2804 106 A 4.2536 8.5502 121.2388 55.7664 17.9206 179.8647 107 T 3.8636 7.9517 113.4480 66.7520 68.5425 176.8194 108 A 3.8790 8.2850 123.0724 55.1531 18.2418 179.7727 109 I 4.3180 8.7668 119.9486 64.0634 36.9132 178.3963 110 A 4.0409 7.7921 120.4590 55.0524 18.2254 179.6531 111 V 3.7348 7.5400 115.6120 65.7846 31.9339 177.6218 112 L 4.5510 8.4819 116.0260 53.7593 42.6318 177.1684 113 G 3.9641 8.3727 105.1652 44.5389 0.0000 172.1522 114 R 3.9892 8.0922 119.1326 54.6012 30.3516 174.3519 115 P 4.2515 0.0000 0.0000 61.9644 32.4460 176.3316 116 K 4.1474 8.5176 118.6463 59.2125 33.1111 177.0541 117 A 4.9475 7.3239 118.9312 50.6987 23.0260 175.2166 118 I 4.8807 8.5638 120.0681 59.3467 41.2097 174.4482 119 K 5.1436 9.2246 128.8574 55.3106 34.2221 175.3187 120 T 5.1452 8.5563 116.5668 60.1277 73.0398 172.4607 121 D 4.9639 8.4327 120.9364 52.7805 41.3343 175.5193 122 N 4.9567 8.6038 115.4235 53.5062 38.9435 176.0266 123 G 3.8398 8.6661 107.9365 45.3206 0.0000 175.8114 124 S 4.0824 8.5240 116.5297 61.2241 62.3903 176.3817 125 C 4.0166 7.6061 118.3858 59.5808 29.1490 174.8188 126 F 5.0978 8.0113 119.3695 57.9271 39.6951 176.3324 127 T 4.6212 7.7426 106.1389 60.9964 69.4595 174.7590 128 S 4.3421 7.6760 117.9609 58.0977 63.8779 175.1387 129 K 3.9039 8.7756 122.3760 59.7730 31.8233 178.8581 130 S 4.1692 8.0996 112.7796 61.9456 62.3384 176.2444 131 T 4.1328 8.1657 118.2986 66.7511 68.2290 176.9192 132 R 4.0698 8.4492 120.2823 59.3892 30.0149 178.7648 133 E 4.0351 8.6177 119.2050 58.9062 29.5827 178.6466 134 W 4.1659 8.6521 128.5784 60.6046 30.8778 178.0350 135 L 4.2022 8.7338 118.9309 57.7491 41.0501 179.3450 136 A 4.0102 8.2984 120.8803 55.0644 18.0794 179.4599 137 R 3.7004 8.0396 116.6511 59.3383 30.1757 178.1788 138 W 4.1084 7.7446 115.8913 56.2936 29.3367 176.5368 139 G 3.8147 7.8095 106.8372 46.6148 0.0000 173.2744 140 I 4.3357 7.5898 120.2314 58.8329 38.6374 176.1694 141 A 4.2114 8.5106 129.4566 52.1765 19.6517 175.5734 142 H 5.3059 8.6459 119.7157 54.6277 32.9269 172.5329 143 T 4.7057 8.9311 119.4443 60.3443 70.8177 173.9630 144 T 5.0889 8.1644 115.2173 60.4382 69.8054 175.7847 145 G 3.7766 7.9649 109.2448 45.1991 0.0000 172.6046 146 I 4.1474 8.0282 121.6251 59.7074 38.4894 175.5784 147 P 4.4718 0.0000 0.0000 62.6156 29.1405 177.0141 *152 G 3.9465 7.7128 103.5310 45.0023 0.0000 172.2443 153 Q 4.6730 7.5484 116.7261 53.6721 28.6611 176.1662 154 A 4.0422 8.0922 121.7493 56.4152 18.7176 179.2238 155 M 4.0224 8.0499 117.0826 58.5449 32.0890 179.1866 156 V 3.6475 8.3668 119.4295 64.6551 31.7434 178.3243 157 E 3.9876 8.1463 119.0583 59.1820 29.1947 179.2262 158 R 3.8705 8.2905 118.6892 59.3091 30.0894 178.3369 159 A 3.9693 8.2199 120.7516 55.2480 18.2787 179.2131 160 N 4.2500 8.5126 115.3222 56.5463 38.5807 177.6503 161 R 3.8631 7.8870 119.5375 59.4617 30.1979 178.4923 162 L 3.9557 8.2245 119.2109 57.6107 41.4999 179.3826 163 L 3.9234 8.2623 120.5993 58.1869 42.1363 179.2009 164 K 3.9925 8.2802 118.6592 59.4678 31.9470 179.1118 165 D 4.3534 8.3552 119.4243 57.2375 40.6730 178.7596 166 K 3.9528 8.2400 120.1761 59.4360 32.1102 178.7498 167 I 3.6941 8.0921 120.5339 64.4270 36.9796 178.2492 168 R 3.8718 8.0067 119.2626 59.4523 29.8847 178.6006 169 V 3.5777 7.8450 117.8712 66.0747 31.6372 177.9850 170 L 3.9679 8.2938 118.7368 57.6241 41.3841 179.3111 171 A 4.1574 8.3478 120.9883 55.4863 18.3456 179.5676 172 E 4.0859 8.6241 117.5374 59.4771 29.2517 179.7592 173 G 3.6375 8.0600 105.1287 47.7337 0.0000 174.5170 174 D 4.4635 7.5319 117.7650 53.8856 40.9681 177.3287 175 G 3.6001 7.8118 108.1275 45.3375 0.0000 173.9103 176 F 4.8740 7.6058 119.0325 56.4299 38.2459 175.6839 177 M 4.5317 8.5530 125.0930 55.8594 33.7912 176.6846 178 K 4.6728 7.3399 116.2586 56.1603 32.3110 179.4067 179 R 4.1547 8.7692 127.2311 56.9741 30.5573 174.3241 180 I 3.6222 8.3283 127.3640 60.1163 37.8937 174.2813 181 P 4.0300 0.0000 0.0000 63.3629 31.9897 177.3941 182 T 3.7767 8.7499 120.5135 66.8832 68.2450 176.6246 183 S 4.3128 7.9543 113.3916 60.0062 63.5928 175.1768 184 K 4.4320 7.9601 121.5808 56.8149 32.6939 178.2694 185 Q 4.0772 7.9044 119.1532 58.7330 28.6530 178.5575 186 G 3.6256 8.0016 106.2454 48.0558 0.0000 175.4880 187 E 4.0362 8.1161 120.8717 58.7014 29.4810 179.0817 188 L 3.9709 7.8695 120.1854 57.9507 42.1829 178.7174 189 L 3.9321 8.3812 120.5522 58.2000 41.9774 178.8139 190 A 4.0341 8.1759 120.7166 55.0075 18.1911 179.5174 191 K 4.0064 8.3759 118.2029 59.5688 32.3364 178.9522 192 A 3.9969 8.2830 121.2185 55.2769 18.3799 179.2573 193 M 3.9277 8.2214 116.7396 58.9072 32.3737 177.5553 194 Y 4.2406 8.4469 119.8396 60.9805 38.7013 178.1407 195 A 3.4954 8.0194 120.2170 54.9416 18.5347 179.1497 196 L 4.0866 7.6469 115.8997 56.7673 41.9189 178.3495 197 N 4.5259 7.6749 115.1368 54.1426 39.2748 174.7536 198 H 4.4854 7.8191 121.1175 55.7740 29.2100 173.8148 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 52 G 8.35 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 0.00 0.00 0.00 53 R 8.65 3.82 0.00 1.94 1.93 0.00 3.58 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 54 G 8.41 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 55 L 8.81 4.42 0.00 1.64 1.70 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.96 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 57 P 0.00 4.38 0.00 2.21 2.08 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 58 L 8.21 4.17 0.00 1.66 1.63 0.91 0.92 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 59 Q 8.29 4.46 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 60 I 7.66 4.91 1.90 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 1.30 0.74 0.92 0.00 0.00 61 W 8.94 5.51 0.00 3.21 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 Q 9.02 5.29 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 63 T 8.75 5.23 4.43 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 1.07 0.00 0.00 64 D 9.08 4.97 0.00 2.75 2.50 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 65 F 8.98 5.46 0.00 2.79 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 9.42 4.91 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 1.27 0.00 0.00 67 L 8.38 3.97 0.00 0.27 1.05 -0.22 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.02 4.44 0.00 1.98 1.70 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 2.16 2.25 0.00 69 P 0.00 4.16 0.00 2.14 2.00 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 70 R 8.64 3.96 0.00 1.90 1.97 0.00 3.10 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 71 M 7.96 4.48 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 72 A 7.46 4.19 1.21 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 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.35 0.00 2.19 2.18 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 74 R 7.66 4.48 0.00 1.82 2.04 0.00 3.20 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 75 S 7.62 4.49 0.00 3.65 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 76 W 8.32 4.90 0.00 3.64 3.25 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 77 L 9.29 5.14 0.00 1.75 1.62 0.93 0.95 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 78 A 8.85 4.12 0.42 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 79 V 8.50 4.74 2.12 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 1.05 0.00 0.00 0.94 0.00 0.00 80 T 8.91 5.17 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 0.56 0.00 0.00 81 V 8.56 4.62 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 0.67 0.00 0.00 0.98 0.00 0.00 82 D 8.88 4.92 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.98 4.10 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 1.29 0.00 0.00 84 A 8.49 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 85 S 7.59 4.55 0.00 4.06 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 86 S 8.64 3.94 0.00 4.01 4.04 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 87 A 7.63 4.32 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.86 4.90 1.81 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 1.05 0.83 0.86 0.00 0.00 89 V 8.53 4.52 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 0.98 0.00 0.00 0.74 0.00 0.00 90 V 8.39 5.12 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 0.82 0.00 0.00 0.97 0.00 0.00 91 T 8.90 4.90 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 1.23 0.00 0.00 92 Q 8.54 5.24 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 93 H 9.13 4.90 0.00 3.36 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.00 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 95 R 7.59 4.63 0.00 1.65 1.67 0.00 3.42 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 96 V 7.54 2.81 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 -0.13 0.00 0.00 -0.95 0.00 0.00 97 T 7.10 4.39 4.05 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 1.02 0.00 0.00 98 S 8.24 4.14 0.00 3.79 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 99 V 7.58 3.41 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 0.79 0.00 0.00 0.88 0.00 0.00 100 A 7.99 3.83 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 0.00 101 A 7.68 3.40 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.56 2.81 0.00 1.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 1.47 2.13 0.00 103 H 8.32 4.26 0.00 3.26 3.37 0.00 5.63 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 0.00 104 H 8.25 4.08 0.00 3.03 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.14 4.46 0.00 3.17 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 0.00 106 A 8.55 4.25 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.95 3.86 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 1.21 0.00 0.00 108 A 8.28 3.88 1.04 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 0.00 0.00 109 I 8.77 4.32 1.82 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.61 0.00 0.00 110 A 7.79 4.04 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 0.00 111 V 7.54 3.73 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 0.85 0.00 0.00 0.97 0.00 0.00 112 L 8.48 4.55 0.00 1.91 1.88 0.14 0.98 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 0.00 113 G 8.37 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 0.00 0.00 0.00 114 R 8.09 3.99 0.00 1.83 1.85 0.00 3.43 0.00 0.00 3.64 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 115 P 0.00 4.25 0.00 1.37 0.49 0.00 3.15 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.44 0.00 116 K 8.52 4.15 0.00 1.72 1.80 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.48 7.81 117 A 7.32 4.95 1.10 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 0.00 118 I 8.56 4.88 1.49 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.35 0.98 0.00 0.00 119 K 9.22 5.14 0.00 1.84 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.58 7.81 120 T 8.56 5.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 121 D 8.43 4.96 0.00 2.87 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 0.00 122 N 8.60 4.96 0.00 2.78 2.92 0.00 0.00 6.76 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 0.00 123 G 8.67 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 0.00 124 S 8.52 4.08 0.00 3.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 7.61 4.02 0.00 2.79 2.69 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 0.00 126 F 8.01 5.10 0.00 3.30 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 0.00 127 T 7.74 4.62 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 1.39 0.00 0.00 128 S 7.68 4.34 0.00 4.01 4.21 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 0.00 0.00 0.00 129 K 8.78 3.90 0.00 1.88 1.89 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.55 7.81 130 S 8.10 4.17 0.00 3.97 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 0.00 131 T 8.17 4.13 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 1.69 0.00 0.00 132 R 8.45 4.07 0.00 2.02 2.08 0.00 3.23 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 1.83 1.99 0.00 133 E 8.62 4.04 0.00 2.16 2.27 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 2.38 2.46 0.00 134 W 8.65 4.17 0.00 3.73 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.73 4.20 0.00 1.84 1.88 0.69 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.30 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.04 3.70 0.00 1.77 1.96 0.00 2.68 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.44 0.00 138 W 7.74 4.11 0.00 3.03 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 0.00 139 G 7.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.59 4.34 1.69 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.74 0.52 0.00 0.00 141 A 8.51 4.21 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 0.00 142 H 8.65 5.31 0.00 3.02 3.12 0.00 5.69 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 0.00 143 T 8.93 4.71 4.21 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 0.00 0.00 1.24 0.00 0.00 144 T 8.16 5.09 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 1.27 0.00 0.00 145 G 7.96 3.78 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 0.00 0.00 0.00 146 I 8.03 4.15 1.88 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 1.42 0.61 0.91 0.00 0.00 147 P 0.00 4.47 0.00 2.04 2.04 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 *152 G 7.71 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 0.00 153 Q 7.55 4.67 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 154 A 8.09 4.04 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 155 M 8.05 4.02 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 156 V 8.37 3.65 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 1.09 0.00 0.00 1.00 0.00 0.00 157 E 8.15 3.99 0.00 2.22 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 2.48 0.00 158 R 8.29 3.87 0.00 1.87 2.09 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 159 A 8.22 3.97 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 0.00 160 N 8.51 4.25 0.00 2.92 2.91 0.00 0.00 6.69 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.89 3.86 0.00 1.92 2.06 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 162 L 8.22 3.96 0.00 1.83 1.68 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.26 3.92 0.00 1.78 1.84 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.28 3.99 0.00 1.82 1.90 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.61 7.81 165 D 8.36 4.35 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.24 3.95 0.00 1.95 1.93 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.54 7.81 167 I 8.09 3.69 2.00 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 1.42 0.68 0.92 0.00 0.00 168 R 8.01 3.87 0.00 1.89 2.07 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 169 V 7.85 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 170 L 8.29 3.97 0.00 1.75 1.74 0.97 1.13 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 0.00 171 A 8.35 4.16 1.47 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 0.00 172 E 8.62 4.09 0.00 2.05 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 2.51 0.00 173 G 8.06 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 0.00 0.00 0.00 174 D 7.53 4.46 0.00 2.43 1.92 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 0.00 175 G 7.81 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 0.00 0.00 0.00 176 F 7.61 4.87 0.00 3.12 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 0.00 177 M 8.55 4.53 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 178 K 7.34 4.67 0.00 1.69 0.74 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.40 7.81 179 R 8.77 4.15 0.00 1.78 1.76 0.00 3.39 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 180 I 8.33 3.62 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.68 0.00 0.00 181 P 0.00 4.03 0.00 1.76 1.80 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 182 T 8.75 3.78 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 183 S 7.95 4.31 0.00 4.00 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 0.00 184 K 7.96 4.43 0.00 1.72 1.93 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.32 1.67 7.81 185 Q 7.90 4.08 0.00 2.19 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 2.32 2.50 0.00 186 G 8.00 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 0.00 187 E 8.12 4.04 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 188 L 7.87 3.97 0.00 1.92 1.81 1.09 0.51 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 0.00 189 L 8.38 3.93 0.00 1.84 1.80 0.93 0.84 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 0.00 190 A 8.18 4.03 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 0.00 191 K 8.38 4.01 0.00 1.98 2.05 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.56 7.81 192 A 8.28 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 M 8.22 3.93 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 194 Y 8.45 4.24 0.00 3.09 3.25 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 0.00 195 A 8.02 3.50 1.33 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 0.00 0.00 196 L 7.65 4.09 0.00 1.61 1.68 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 197 N 7.67 4.53 0.00 2.78 2.39 0.00 0.00 6.83 8.09 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 0.00 198 H 7.82 4.49 0.00 3.13 3.22 0.00 5.69 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 * Residues marked with a * may have inaccurate shift predictions.