NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 F 5.2511 8.3093 119.4044 57.7419 40.3393 174.2791 9 S 4.9030 10.7700 121.4742 56.3702 65.6914 171.0246 10 E 4.0756 10.1220 119.7821 61.0643 29.8918 180.5898 11 E 3.6171 7.3382 114.4199 58.7313 30.9635 179.2877 12 Q 4.0946 8.3313 119.0124 58.8476 28.9882 179.5457 13 F 3.9175 7.7061 116.8253 60.8681 39.3779 177.8490 14 W 4.2130 8.2766 118.0300 59.6308 28.8613 178.4137 15 E 4.0336 8.5030 118.5390 59.4622 28.6266 179.2904 16 A 4.2467 7.7513 119.5024 55.1729 18.7966 179.1634 17 C 4.2692 8.2792 115.3047 63.1700 28.1121 174.6872 18 A 3.8520 7.8955 119.9967 54.9150 17.4333 178.7274 19 E 4.2962 7.7853 118.6643 57.8179 29.6273 179.6765 20 L 3.9879 6.8339 119.4823 58.2829 42.2490 178.6170 21 Q 4.2481 8.4208 117.2670 57.0637 28.9756 176.0528 22 Q 4.2743 7.0921 124.6479 53.2213 30.6376 172.8568 23 P 4.4657 0.0000 0.0000 62.9545 30.3672 176.3444 24 A 4.3135 9.5111 129.2501 50.8288 17.6321 176.3008 25 L 4.2213 7.8979 120.7016 55.5367 44.4793 179.1293 26 A 3.8847 8.8419 121.2070 56.4599 17.5999 179.8963 27 G 3.6675 6.7125 99.6952 47.2160 0.0000 175.0935 28 A 4.7692 7.8557 124.2345 49.4090 22.9351 175.8343 29 D 4.6853 8.3471 114.7133 54.7506 38.7659 175.0796 30 W 4.5417 7.7677 121.4634 57.1625 31.2127 176.7708 31 Q 4.8202 8.8350 117.2290 55.0618 33.1864 175.1021 32 L 3.7998 8.4527 124.9458 55.4446 43.2134 174.1877 33 L 4.4927 8.0287 119.9964 56.0478 48.7961 174.7641 34 V 4.3507 6.9946 114.9521 62.1071 34.7095 171.6295 35 E 5.1088 8.4211 123.1689 55.3163 33.1595 175.0514 36 T 4.4580 9.6870 119.6245 63.1324 72.8824 173.2981 37 S 3.8310 9.8160 114.9507 59.1461 62.3056 172.3927 38 G 3.9098 9.2234 107.1932 46.9040 0.0000 173.6517 39 I 5.0881 8.6738 119.2228 59.7111 42.4745 175.2412 40 S 5.3790 9.2777 121.3453 56.7205 66.3601 173.0321 41 I 5.0685 8.9785 122.6269 60.1313 39.9029 174.7179 42 Y 5.7079 9.8535 125.4116 56.4251 40.5048 174.8864 43 R 5.4527 8.9176 115.6456 55.1699 33.2160 173.3501 44 L 4.2319 8.2408 124.2219 52.8380 44.6137 174.5029 45 L 3.9412 7.8666 128.3166 53.3358 43.3571 175.2609 46 D 4.3494 8.5875 127.3669 53.3981 40.9992 176.8811 47 K 3.8324 8.6614 126.8468 59.2544 32.5060 179.1074 48 K 4.1032 8.0638 117.6862 59.2063 32.1445 178.0514 49 T 4.1450 8.2647 106.6671 61.4092 69.3990 175.9521 50 G 3.8975 8.2514 110.0465 45.3691 0.0000 173.5962 51 L 4.5232 7.5412 119.4747 54.6653 43.1183 175.5691 52 Y 4.7665 8.6515 117.9839 56.1708 41.3608 175.0279 53 E 4.7453 8.5834 121.7485 55.0215 32.7013 174.3847 54 Y 5.5364 9.0356 124.9996 57.1066 40.8598 175.0910 55 K 4.8249 9.2390 119.9446 55.0430 37.1664 175.6354 56 V 5.2175 7.4288 122.5322 60.1813 35.4235 173.8910 57 F 5.8132 9.1992 123.7699 54.3090 44.3433 174.3713 58 G 4.2924 7.7968 106.2998 45.1595 0.0000 171.2471 59 V 4.8494 9.2028 119.5649 61.4729 35.2509 174.4599 60 L 4.8833 9.0403 128.5412 52.6701 42.3450 175.8738 61 E 4.3820 8.3545 122.2452 57.1636 30.4759 176.8165 62 D 4.6307 9.1403 120.0404 54.5182 37.9944 174.4762 63 C 4.5746 7.4791 117.3505 57.4232 29.2987 173.1929 64 S 4.3835 8.4830 121.6870 58.1071 62.7713 173.9089 65 P 4.3516 0.0000 0.0000 66.1750 31.0515 178.4068 66 T 3.8382 7.7577 111.2680 64.7797 67.3940 176.3756 67 L 3.8782 8.3422 121.3432 57.6061 41.5383 178.8263 68 L 3.7998 7.8495 118.3972 58.3594 42.1519 178.5630 69 A 4.1915 7.5337 118.7820 55.3679 18.1382 179.2310 70 D 4.4034 7.5855 115.4489 57.8039 41.0530 179.0955 71 I 3.8881 7.9692 118.8039 63.5358 37.0347 176.3353 72 Y 4.6064 7.9615 120.4039 57.3068 40.2036 174.9319 *74 D 4.4505 7.9527 118.3413 53.5350 41.0639 175.8482 75 S 3.9606 8.4528 121.4926 61.3737 62.8373 175.6428 76 D 4.4936 8.0990 120.1560 57.8586 40.9437 178.5046 77 Y 4.4087 8.6664 119.4826 60.4966 39.0040 177.0929 78 R 3.2510 8.6478 120.0186 59.4861 29.8553 178.2805 79 K 3.5642 8.5164 117.3672 59.6537 32.0812 178.7266 80 Q 4.0224 7.7996 118.9043 57.9345 29.0593 177.1959 81 W 4.8126 7.2527 114.9132 56.0544 30.5846 176.4228 82 D 4.4242 7.3740 120.3151 52.6013 39.1719 176.0868 83 Q 3.8928 8.1413 126.5460 58.2417 29.6922 177.5087 84 Y 4.4637 8.7257 114.2509 57.8177 38.3303 174.9236 85 V 4.4094 7.9998 121.9178 61.6557 31.1350 175.7547 86 K 4.2110 8.8818 130.4201 59.0140 32.6673 176.7127 87 E 4.8233 7.9694 119.4900 54.7082 33.5183 173.4933 88 L 4.9630 8.4112 127.0147 54.3003 45.0867 173.6750 89 Y 4.9517 8.9476 123.2560 56.1852 41.5718 173.2241 90 E 5.3322 8.9014 119.9119 54.8990 32.8851 175.2002 91 Q 4.7125 8.6920 119.1150 54.9571 32.6754 173.2004 92 E 4.8879 8.7193 120.0022 55.5664 31.3133 175.6559 93 C 4.6111 8.6812 123.5460 58.4299 34.7264 173.3620 94 N 4.1103 8.5305 126.7582 54.9934 36.4460 176.2853 95 G 3.9715 8.8780 115.7410 46.2948 0.0000 172.2186 96 E 4.5888 7.8436 119.3365 54.8590 32.0137 174.8399 97 T 4.8191 8.2386 116.6776 62.6105 70.0235 174.0440 98 V 4.4872 8.5706 127.6031 61.2597 33.7483 174.7124 99 V 4.5221 8.6532 128.1720 61.2110 34.1259 173.5375 100 Y 5.1326 8.3140 127.2705 55.4695 41.5666 174.0280 101 W 5.1968 8.5298 135.0000 55.4806 35.0274 173.0604 102 E 5.1303 9.4926 127.3515 54.5241 32.1370 174.4106 103 V 4.9046 9.3784 127.6354 61.4646 33.8720 174.8150 104 K 4.7964 8.9708 127.7405 56.4048 32.3492 175.9162 105 Y 4.5158 8.6575 123.1417 55.0947 40.2530 174.4763 106 P 4.3007 0.0000 0.0000 62.9115 32.0563 176.1960 107 F 4.2771 8.6774 124.5285 57.2291 39.9734 173.7390 108 P 2.9700 0.0000 0.0000 64.0020 31.1052 176.2792 *110 S 4.2721 7.6780 113.7583 58.1349 64.3558 173.4515 111 N 4.8704 8.6125 120.1666 53.5319 40.2666 173.5969 112 R 5.0525 8.7748 117.5793 54.5785 34.2037 174.9392 113 D 5.3307 8.8666 120.7046 51.9618 43.1303 173.8335 114 Y 5.0055 9.3105 118.6475 56.1963 41.7558 174.7279 115 V 5.0988 8.3106 121.9606 61.4962 34.6839 173.7586 116 Y 5.3503 8.5550 124.1556 56.4921 42.1309 172.9619 117 L 5.0902 9.5724 120.9990 53.5404 43.3035 175.8983 118 R 5.5216 8.4066 124.4221 55.0019 33.2544 174.7076 119 Q 4.8187 8.9512 124.0091 55.2583 33.1138 172.7576 120 R 5.3914 8.9384 126.1809 54.7914 33.2175 174.7238 121 R 4.6272 9.3552 123.4872 54.6464 34.7721 173.9914 122 D 5.0205 8.6075 123.1800 52.7958 41.7500 176.2540 123 L 4.1190 8.3742 124.3957 54.3812 43.2631 176.0865 124 D 5.1746 8.4533 120.5970 52.3585 43.8803 176.7603 *126 E 4.2881 8.5341 119.3308 56.3471 30.8660 176.2205 127 G 3.9535 8.4582 104.3865 46.7101 0.0000 174.3868 128 R 4.5035 8.0038 117.5326 53.7587 32.5111 175.7302 129 K 4.9842 8.5019 122.3655 55.1517 32.8275 176.7428 130 I 4.3934 7.9870 127.5018 59.5085 39.2676 174.8376 131 H 4.7546 8.8530 125.8210 55.6268 29.4029 174.6987 132 V 4.8412 8.6676 124.3917 61.1207 34.0580 174.6088 133 I 5.1801 8.5858 126.9405 59.5815 41.5171 174.2579 134 L 4.9415 8.9461 125.0242 52.7374 45.5464 175.3817 135 A 5.4505 8.8483 122.7114 50.4773 22.9425 175.2187 136 R 4.9371 9.2387 121.1732 54.7713 33.8751 174.5775 137 S 5.1409 8.8352 121.5338 59.4101 63.4267 172.5470 138 T 4.7358 8.3409 118.1947 61.8347 70.7927 171.3785 139 S 4.5261 8.0197 115.5811 56.7777 65.3580 170.9253 *141 P 4.4665 0.0000 0.0000 63.3751 32.7397 177.6998 142 Q 4.2114 8.0191 113.3500 56.8406 29.4932 175.7639 143 L 4.6663 7.4509 118.8518 53.2025 41.7213 174.8791 144 G 3.8718 7.6627 110.3713 44.5104 0.0000 170.9812 145 E 4.2069 8.4801 118.8257 56.5296 29.7164 176.8739 146 R 4.7507 8.1384 117.9946 54.3826 33.5055 175.4745 147 S 4.4759 8.4647 116.8176 59.5200 63.7634 173.2191 148 G 4.1446 9.1559 112.0886 44.8110 0.0000 173.5721 149 V 4.2834 6.8123 118.6922 61.0869 33.1828 175.6474 150 I 4.0830 8.1022 129.0451 60.2282 38.2393 175.1130 151 R 5.1452 8.3856 128.7580 55.2454 30.5500 176.0445 152 V 3.6276 7.9470 128.2351 62.5521 31.0006 175.8679 153 K 4.2248 8.7223 127.8393 57.2468 33.0195 176.6036 154 Q 4.7135 7.6225 118.2260 54.5581 30.9811 174.1942 155 Y 5.1153 8.4084 123.0379 56.5907 42.5128 172.9750 156 K 4.2368 8.4738 124.3806 55.8454 36.4762 174.2934 157 Q 4.9189 8.0283 122.3769 55.0750 32.9567 173.1202 158 S 4.9928 8.4462 117.5917 56.7871 66.4971 173.1052 159 L 4.7397 8.8501 123.4459 53.2941 45.7653 174.5090 160 A 5.1218 9.5709 128.2139 50.2697 21.7230 175.0409 161 I 4.8947 8.5164 123.6113 59.9587 40.7455 174.3627 162 E 4.9590 8.2438 123.3798 55.6038 33.6481 174.9320 163 S 4.5264 8.7922 118.2364 58.3359 63.0384 173.4902 164 D 4.6739 8.3299 124.5485 53.0926 39.7187 175.6248 165 G 4.3574 8.8167 109.7324 46.0002 0.0000 174.7201 166 K 4.7531 7.3659 121.1994 55.8405 30.3554 178.4606 167 K 4.3031 9.0010 128.4315 58.1866 33.3470 176.4357 168 G 4.2333 7.7233 111.3791 45.3150 0.0000 172.1149 169 S 4.8349 8.6808 116.3277 56.7388 67.0608 173.3840 170 K 5.0288 9.0085 123.2761 55.3318 34.0615 175.6113 171 V 4.9929 8.7902 118.9451 60.0966 36.8033 173.6148 172 F 5.8534 8.8145 123.5256 56.0264 44.0474 172.2631 *174 Y 4.7587 8.2063 120.2840 57.7471 40.1145 172.8855 175 Y 4.6436 7.3914 124.8343 56.4160 43.1503 173.1612 176 F 5.2222 7.6311 124.2719 57.6452 43.4581 172.2642 177 D 4.2030 7.6270 123.0604 52.3371 42.1117 174.3035 178 N 4.6462 8.4119 119.7352 51.3274 39.7261 173.0760 179 P 4.1473 0.0000 0.0000 63.2970 31.5834 178.4787 180 G 3.7818 9.0846 106.1230 45.1691 0.0000 173.2073 181 G 3.9337 6.9395 105.4941 44.6209 0.0000 173.5179 182 Q 3.9927 8.5797 119.2884 55.6633 29.1067 176.4321 183 I 4.0843 8.1064 124.1011 58.9801 37.2900 173.9016 184 P 4.2440 0.0000 0.0000 62.5365 31.7307 178.1302 185 S 4.1383 8.6248 117.2628 60.6619 62.7974 176.6064 186 W 4.2850 7.9416 120.5448 59.2534 28.1151 178.0228 187 L 3.4674 6.8457 121.3791 57.5417 40.9645 179.0154 188 I 3.6017 7.2663 119.4380 64.2773 37.0949 177.5104 189 N 4.3781 8.3674 118.0979 56.4969 38.6052 176.5946 190 W 4.1327 8.8769 129.7156 60.4900 30.8528 177.3208 191 A 3.5506 8.7793 120.8227 55.7179 17.5110 178.9342 192 A 3.7901 8.7902 118.2530 55.7683 18.5181 179.7499 193 K 4.0446 8.7371 117.1816 58.3489 32.5721 177.3659 194 N 4.5162 8.5722 116.4651 54.6463 40.4768 175.9005 195 G 2.3280 5.4353 102.1634 47.9715 0.0000 175.3102 196 V 3.4754 7.9771 119.6551 65.0220 31.9050 176.5216 197 P 4.1972 0.0000 0.0000 66.1977 31.1779 177.8793 198 N 4.3359 8.2143 114.5794 56.3464 38.3279 177.2119 199 F 4.2624 8.0135 120.8682 61.6034 39.6165 176.7183 200 L 3.9717 8.5740 117.5696 58.0553 41.6539 179.1770 201 K 4.0386 8.0843 119.6338 58.9666 32.1602 178.7935 202 D 4.0922 8.7225 118.6619 54.8486 42.1306 178.9995 *204 A 4.0208 7.9743 122.8428 52.2689 20.5097 179.6412 205 R 3.7634 7.7790 115.2058 59.8457 29.7210 178.5088 206 A 3.7350 7.2655 118.8568 54.7994 18.2860 179.2332 207 C 4.0027 7.9342 115.9221 62.9190 28.1830 175.9076 208 Q 4.0116 8.0340 118.9529 58.3708 28.5127 177.0145 209 N 4.9031 7.3131 115.1697 52.9443 39.1023 174.0617 210 Y 4.3087 7.9848 127.9001 57.9704 38.8271 175.6372 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 8 F 8.31 5.25 0.00 3.39 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 9 S 10.77 4.90 0.00 4.12 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 10 E 10.12 4.08 0.00 2.18 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 0.00 2.50 2.39 0.00 11 E 7.34 3.62 0.00 2.16 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 0.00 2.47 2.48 0.00 12 Q 8.33 4.09 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 13 F 7.71 3.92 0.00 3.06 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 14 W 8.28 4.21 0.00 3.34 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 15 E 8.50 4.03 0.00 2.26 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 2.37 2.56 0.00 16 A 7.75 4.25 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 17 C 8.28 4.27 0.00 3.27 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 18 A 7.90 3.85 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 19 E 7.79 4.30 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 2.13 1.94 0.00 20 L 6.83 3.99 0.00 1.66 2.06 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.42 4.25 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.43 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 22 Q 7.09 4.27 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.97 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 23 P 0.00 4.47 0.00 1.58 0.83 0.00 3.54 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 1.65 1.96 0.00 24 A 9.51 4.31 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.22 0.00 1.42 1.51 -0.26 -0.28 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 26 A 8.84 3.88 1.29 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 27 G 6.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.86 4.77 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 29 D 8.35 4.69 0.00 2.61 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 30 W 7.77 4.54 0.00 3.39 3.54 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 0.00 0.00 0.00 0.00 31 Q 8.84 4.82 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 32 L 8.45 3.80 0.00 1.42 1.50 0.41 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.03 4.49 0.00 1.60 1.80 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 34 V 6.99 4.35 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 0.82 0.00 0.00 0.86 0.00 0.00 35 E 8.42 5.11 0.00 1.92 1.80 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 2.21 2.29 0.00 36 T 9.69 4.46 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 1.19 0.00 0.00 37 S 9.82 3.83 0.00 4.04 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 0.00 38 G 9.22 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.67 5.09 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 1.34 0.81 0.99 0.00 0.00 40 S 9.28 5.38 0.00 4.02 4.02 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 0.00 0.00 0.00 41 I 8.98 5.07 1.87 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 1.16 0.86 1.05 0.00 0.00 42 Y 9.85 5.71 0.00 3.21 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.92 5.45 0.00 1.58 2.09 0.00 2.54 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 44 L 8.24 4.23 0.00 0.27 0.63 0.14 -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 0.00 0.00 0.00 0.00 45 L 7.87 3.94 0.00 0.57 1.16 0.46 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.59 4.35 0.00 2.67 2.44 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 0.00 47 K 8.66 3.83 0.00 1.71 1.81 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.36 7.81 48 K 8.06 4.10 0.00 1.70 1.83 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.38 7.81 49 T 8.26 4.15 4.27 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 1.28 0.00 0.00 50 G 8.25 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 51 L 7.54 4.52 0.00 1.81 1.91 1.16 0.67 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 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3.33 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 121 R 9.36 4.63 0.00 1.37 1.35 0.00 2.52 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.00 122 D 8.61 5.02 0.00 2.49 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.12 0.00 1.18 0.75 -0.16 0.11 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 0.00 124 D 8.45 5.17 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 E 8.53 4.29 0.00 2.01 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 2.24 2.41 0.00 127 G 8.46 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 0.00 128 R 8.00 4.50 0.00 1.80 1.84 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 129 K 8.50 4.98 0.00 1.62 1.66 0.00 1.88 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.24 7.81 130 I 7.99 4.39 1.72 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 1.43 1.12 0.85 0.00 0.00 131 H 8.85 4.75 0.00 3.09 3.27 0.00 5.58 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.67 4.84 2.17 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 1.03 0.00 0.00 0.87 0.00 0.00 133 I 8.59 5.18 1.70 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 1.27 0.44 1.05 0.00 0.00 134 L 8.95 4.94 0.00 0.27 0.39 -0.39 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.85 5.45 1.09 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 0.00 136 R 9.24 4.94 0.00 2.34 2.02 0.00 3.20 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 137 S 8.84 5.14 0.00 4.35 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 0.00 138 T 8.34 4.74 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 1.28 0.00 0.00 139 S 8.02 4.53 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *141 P 0.00 4.47 0.00 2.10 2.20 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 142 Q 8.02 4.21 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.35 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 143 L 7.45 4.67 0.00 1.56 1.56 0.86 0.95 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 0.00 144 G 7.66 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 0.00 145 E 8.48 4.21 0.00 1.97 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 2.32 2.35 0.00 146 R 8.14 4.75 0.00 1.87 1.81 0.00 3.15 0.00 0.00 3.65 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 147 S 8.46 4.48 0.00 3.87 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 0.00 148 G 9.16 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 0.00 0.00 0.00 149 V 6.81 4.28 2.14 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 0.94 0.00 0.00 1.04 0.00 0.00 150 I 8.10 4.08 1.66 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.34 0.82 0.00 0.00 151 R 8.39 5.15 0.00 1.80 1.82 0.00 3.14 0.00 0.00 4.01 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 152 V 7.95 3.63 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 0.00 0.00 0.76 0.00 0.00 0.16 0.00 0.00 153 K 8.72 4.22 0.00 1.78 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.61 7.81 154 Q 7.62 4.71 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 155 Y 8.41 5.12 0.00 3.02 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 0.00 156 K 8.47 4.24 0.00 1.71 1.71 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.57 7.81 157 Q 8.03 4.92 0.00 1.53 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.56 0.00 158 S 8.45 4.99 0.00 3.75 3.69 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 0.00 159 L 8.85 4.74 0.00 1.41 1.11 0.22 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 160 A 9.57 5.12 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 0.00 161 I 8.52 4.89 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.88 0.96 0.00 0.00 162 E 8.24 4.96 0.00 1.96 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 2.16 2.20 0.00 163 S 8.79 4.53 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.33 4.67 0.00 2.83 2.73 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 0.00 165 G 8.82 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 0.00 0.00 0.00 0.00 166 K 7.37 4.75 0.00 1.94 0.92 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.37 7.81 167 K 9.00 4.30 0.00 1.70 1.81 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.41 7.81 168 G 7.72 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 0.00 0.00 0.00 0.00 169 S 8.68 4.83 0.00 3.86 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 0.00 170 K 9.01 5.03 0.00 1.87 1.73 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.46 7.81 171 V 8.79 4.99 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 0.77 0.00 0.00 1.00 0.00 0.00 172 F 8.81 5.85 0.00 3.10 2.87 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 *174 Y 8.21 4.76 0.00 3.05 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 0.00 175 Y 7.39 4.64 0.00 3.00 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 0.00 176 F 7.63 5.22 0.00 3.07 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 0.00 177 D 7.63 4.20 0.00 2.88 2.60 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 0.00 178 N 8.41 4.65 0.00 2.67 2.70 0.00 0.00 7.18 7.43 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 0.00 179 P 0.00 4.15 0.00 2.18 2.03 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 180 G 9.08 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 0.00 181 G 6.94 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 0.00 0.00 0.00 182 Q 8.58 3.99 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 183 I 8.11 4.08 1.81 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 1.42 0.80 0.76 0.00 0.00 184 P 0.00 4.24 0.00 1.06 1.95 0.00 3.20 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 2.06 2.05 0.00 185 S 8.62 4.14 0.00 4.06 4.12 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 0.00 186 W 7.94 4.29 0.00 3.57 3.37 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 0.00 187 L 6.85 3.47 0.00 0.27 1.24 0.42 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 188 I 7.27 3.60 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 0.82 0.00 0.00 189 N 8.37 4.38 0.00 2.95 3.18 0.00 0.00 6.90 8.07 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 0.00 190 W 8.88 4.13 0.00 3.67 3.47 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 0.00 191 A 8.78 3.55 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 0.00 192 A 8.79 3.79 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 0.00 193 K 8.74 4.04 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.59 7.81 194 N 8.57 4.52 0.00 2.47 2.22 0.00 0.00 6.94 7.82 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 0.00 195 G 5.44 2.33 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 0.00 196 V 7.98 3.48 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 0.97 0.00 0.00 0.69 0.00 0.00 197 P 0.00 4.20 0.00 2.24 2.04 0.00 3.42 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 198 N 8.21 4.34 0.00 3.01 2.96 0.00 0.00 6.78 8.11 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 0.00 199 F 8.01 4.26 0.00 2.99 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 0.00 200 L 8.57 3.97 0.00 1.79 1.73 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 201 K 8.08 4.04 0.00 1.89 1.91 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 202 D 8.72 4.09 0.00 2.86 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 *204 A 7.97 4.02 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 0.00 205 R 7.78 3.76 0.00 1.98 2.00 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 206 A 7.27 3.73 0.09 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 0.00 207 C 7.93 4.00 0.00 2.96 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 0.00 208 Q 8.03 4.01 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.19 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 209 N 7.31 4.90 0.00 2.73 2.86 0.00 0.00 6.93 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 7.98 4.31 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.