NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3471 8.4449 118.6619 56.7930 31.7183 175.3973 3 T 4.2542 8.4665 122.7238 60.4278 71.6027 167.2502 4 V 4.7550 8.4072 126.3317 61.1936 34.0029 174.7991 5 V 4.5682 9.1597 129.1212 61.9983 35.0529 174.7849 6 R 5.2207 8.5069 126.6640 55.5742 33.0112 170.9481 7 D 4.8596 9.2083 121.8691 52.6033 45.4549 173.4538 8 A 5.1406 8.3173 122.0276 50.6731 22.5157 175.9635 9 V 4.5567 8.7555 118.7205 60.5655 35.3250 173.8881 10 T 5.0276 8.5675 119.8289 62.3510 70.1749 174.0962 11 I 4.6805 9.0892 126.7763 58.5558 40.9133 177.0118 12 G 4.0032 9.0104 118.0278 45.2222 0.0000 173.2253 13 K 4.7072 7.3960 115.7858 52.6993 36.7955 175.8633 14 P 4.4160 0.0000 0.0000 62.2556 33.1690 177.4952 15 A 4.0610 8.6034 123.3104 55.5763 17.8645 179.8389 16 E 3.8228 8.2215 116.4472 59.7288 28.9936 179.3203 17 Q 4.0182 8.0415 118.6302 59.3515 29.0800 178.2558 18 L 4.3289 7.7022 120.0804 58.0355 41.5985 178.8297 19 Y 3.0071 7.9210 119.6410 60.2261 38.3613 177.9127 20 A 3.9200 7.9498 120.9040 55.1195 18.8024 179.6199 21 V 3.6364 7.6030 115.5494 66.1382 31.5327 178.3329 22 W 3.8949 7.8681 117.3202 59.7077 28.9796 178.2867 23 R 4.0518 7.8739 117.8135 57.8882 30.5904 177.1287 24 D 4.4980 7.6819 118.7344 52.5868 39.4075 175.8773 25 L 3.6590 7.9969 124.9088 57.1068 41.7771 177.0539 26 P 4.6241 0.0000 0.0000 64.1583 31.5340 177.8306 27 G 3.7151 7.7692 103.0560 44.8607 0.0000 175.3749 28 L 3.5655 7.6827 122.6218 57.2731 41.3596 177.4639 29 P 3.9770 0.0000 0.0000 65.0530 31.2156 178.0065 30 L 4.1071 7.4991 117.3232 56.9772 41.6878 178.8814 31 L 4.1159 7.2476 117.6928 56.3134 42.4725 177.5327 32 M 4.6757 8.2150 123.7384 53.4560 32.7368 176.7902 33 T 4.1456 8.9226 115.7540 63.9035 69.1990 175.7450 34 H 4.4594 8.3077 116.7898 57.2297 29.1031 175.3161 35 L 4.4413 7.2813 120.3204 54.0636 42.6813 176.2838 36 R 4.3790 8.8245 123.9408 58.3371 30.9463 176.4914 37 S 4.5148 7.3881 111.0822 57.0708 66.5484 173.2544 38 V 4.1391 7.8348 120.3062 61.0126 34.5578 173.3446 39 E 4.6435 8.8273 129.2647 54.1141 32.2682 175.1958 40 V 4.0456 8.3296 126.5860 62.6430 32.3574 175.3732 41 L 4.5324 8.4824 126.2725 54.5555 43.1428 175.6971 42 D 4.3842 7.7099 116.4025 52.8965 41.1364 176.4649 43 D 4.2498 8.8716 118.6261 57.0405 40.8132 178.1560 44 K 4.4803 8.0999 117.6733 56.1228 34.1405 175.3825 45 R 5.4248 8.8056 118.0610 54.9147 33.0833 175.3381 46 S 4.9962 9.0125 114.7315 57.5674 67.1868 172.6827 47 R 5.0144 9.1817 122.0819 54.6292 31.8740 174.8941 48 W 4.8234 8.8514 126.3657 55.4000 32.1396 175.2440 49 T 4.9689 8.0944 117.8783 62.3467 72.8698 173.4346 50 V 4.8294 8.9354 117.7842 59.3736 36.6567 174.8101 51 E 4.5672 8.8781 122.0422 56.2613 30.0702 176.4758 52 A 4.5961 8.4810 129.8844 50.5206 20.8437 175.7269 53 P 4.4131 0.0000 0.0000 61.9964 31.4875 177.8309 54 A 3.9654 8.8198 124.2352 56.2231 18.5385 178.1228 55 P 4.5509 0.0000 0.0000 65.1473 32.4097 178.6807 56 L 4.3536 8.7506 117.7765 54.3728 39.7416 178.7409 57 G 5.0268 5.3800 126.6630 47.8418 0.0000 172.8523 58 T 4.6888 7.1724 114.3251 62.1760 72.6893 173.1053 59 V 4.6766 8.8786 126.8254 61.0942 34.1419 174.4741 60 S 5.3243 8.8002 121.3215 56.8261 66.5548 172.5591 61 W 5.2199 8.4034 116.8637 55.7213 32.0991 172.6090 62 E 5.1097 9.0355 120.8094 54.9882 31.3869 174.2821 63 A 5.4056 9.4125 127.0057 50.3435 23.6729 174.3239 64 E 5.3166 9.0267 115.6422 54.6223 33.4426 174.9707 65 L 4.8785 9.0217 122.7640 55.5310 41.8970 177.1390 66 T 4.5911 9.1383 119.5185 63.8139 70.0631 174.7623 67 A 4.4713 7.6926 121.3737 51.2150 22.6975 175.1631 68 D 4.9051 8.9085 122.2409 53.0324 42.8450 172.9313 69 E 4.5439 9.5152 124.1323 53.4389 31.1146 173.2803 70 P 2.9700 0.0000 0.0000 63.3429 31.5665 176.8746 71 G 3.7328 5.5088 109.2329 45.4605 0.0000 173.1073 72 K 4.7471 8.3436 118.4011 57.2894 35.0362 176.3326 73 R 5.2604 7.8042 113.4388 55.5283 32.6595 173.5859 74 I 5.4244 8.8164 120.7968 59.9677 41.6238 174.1714 75 A 5.2503 9.6672 128.3746 50.0469 22.8032 174.6898 76 W 5.8934 8.4983 116.9054 55.4582 32.5486 173.8859 77 R 5.1274 8.8256 115.9623 54.7460 32.4088 174.6756 78 S 4.8423 8.8374 117.2533 58.6363 63.9161 174.0265 79 L 4.4697 8.7139 121.9334 53.3554 43.2271 174.8155 80 P 4.3537 0.0000 0.0000 64.2737 31.6797 177.3794 81 G 3.9300 8.9046 110.3454 44.9013 0.0000 173.6990 82 A 4.1747 7.3018 122.3602 52.2631 18.8266 177.9281 83 R 4.0659 8.9145 121.2862 58.8084 30.4003 177.1840 84 I 4.3680 7.1094 117.0487 59.1006 40.3507 175.2699 85 E 4.1014 8.2580 126.4481 56.0769 30.5214 175.7353 86 N 5.6558 8.8925 120.1145 53.2300 41.2134 173.3730 87 S 4.7721 8.2160 113.1842 57.4930 67.3550 172.5556 88 G 3.1526 7.5558 105.2972 45.1152 0.0000 172.0865 89 E 4.8121 8.0471 121.1399 54.6676 33.8127 173.9068 90 V 4.5012 8.9287 126.9346 61.0052 34.4443 174.1808 91 L 4.9078 8.4040 127.6888 53.0441 44.8303 175.8327 92 F 5.0330 8.9480 120.3850 55.9501 40.6875 174.6150 93 R 4.7966 8.7164 122.6811 53.3075 33.4572 173.9455 94 P 4.6892 0.0000 0.0000 62.4164 32.0273 176.1545 95 A 4.0553 8.4730 127.2983 51.3547 18.4558 175.2307 96 P 4.2018 0.0000 0.0000 66.1665 31.1645 178.3713 97 G 3.3126 6.5678 100.4637 46.5548 0.0000 172.9464 98 A 4.2893 8.3139 123.5272 52.6036 21.9987 177.8317 99 R 3.7837 9.5514 124.3239 56.0717 29.0680 173.1589 100 G 4.2757 8.4658 100.2187 47.2278 0.0000 172.4873 101 T 5.0341 8.9195 116.1133 61.4553 72.2549 172.8732 102 E 4.8777 9.5115 127.7562 54.8818 31.3740 174.7903 103 V 4.3437 8.9396 128.9258 61.9911 33.1062 174.6089 104 V 4.7240 8.2060 128.2943 61.0077 33.8914 174.2210 105 V 4.6676 8.9130 128.0041 60.9706 34.5343 174.0886 106 R 4.9803 8.8694 127.4343 54.6297 33.1231 173.6765 107 L 5.3813 9.4656 126.6288 53.0528 45.7415 175.7156 108 T 5.1427 8.7501 114.6246 60.8532 72.0180 173.0676 *109 Y 5.0813 8.9190 126.6330 56.6837 41.9036 173.2076 110 R 4.7543 9.1156 125.3428 54.7726 32.0633 173.1113 111 P 4.3828 0.0000 0.0000 61.8718 32.0085 173.1904 112 P 4.5199 0.0000 0.0000 63.8442 30.6790 175.8035 *128 P 4.5745 0.0000 0.0000 63.1320 33.1430 182.5689 129 S 4.3002 7.7557 113.5929 61.0107 63.0595 176.1667 130 Q 4.0059 8.0148 123.1365 58.8968 28.8229 177.5569 131 Q 3.9849 8.0051 120.3156 58.9341 29.1379 177.6523 132 L 3.9951 7.9839 121.4303 58.1198 42.0992 178.6500 133 R 4.1227 7.9343 119.9216 59.0026 29.9561 178.0060 134 D 4.4004 8.1983 118.2893 57.6176 40.8847 178.5402 135 D 4.4392 8.3871 119.3775 57.5548 40.8321 179.0401 136 L 4.3338 8.4394 119.6940 58.1479 41.5600 179.5046 137 M 4.1724 8.4625 118.8921 58.4540 31.9020 179.0610 138 R 3.9605 8.3341 118.3787 59.1888 30.2682 178.7904 139 F 4.4266 8.5175 120.5404 61.1159 39.2684 177.1324 140 K 3.7234 8.2844 119.2496 59.4550 32.1400 178.6707 141 R 3.8629 8.1734 119.1124 59.5472 29.9843 178.2397 142 E 3.9457 8.6250 118.5778 59.5309 29.2520 179.4942 143 Q 3.8656 7.6666 116.6404 59.0768 28.9013 178.5139 144 E 4.0648 8.2729 118.1308 58.6172 29.4842 178.5364 145 L 4.3880 7.8122 117.9093 54.4917 42.3162 177.8112 146 G 3.9328 7.9413 106.1816 44.9570 0.0000 173.3407 147 L 4.1665 7.5859 124.5361 55.7826 40.7544 176.6776 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 E 8.44 4.35 0.00 1.77 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 0.00 2.13 1.92 0.00 3 T 8.47 4.25 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 1.20 0.00 0.00 4 V 8.41 4.76 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 0.71 0.00 0.00 0.89 0.00 0.00 5 V 9.16 4.57 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 6 R 8.51 5.22 0.00 1.57 1.61 0.00 3.32 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 7 D 9.21 4.86 0.00 2.69 2.52 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 8 A 8.32 5.14 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 9 V 8.76 4.56 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 1.05 0.00 0.00 1.01 0.00 0.00 10 T 8.57 5.03 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 1.24 0.00 0.00 11 I 9.09 4.68 1.91 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 1.15 0.95 0.87 0.00 0.00 12 G 9.01 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 0.00 0.00 0.00 13 K 7.40 4.71 0.00 1.69 1.66 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.33 7.81 14 P 0.00 4.42 0.00 2.16 1.98 0.00 3.62 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 2.12 2.16 0.00 15 A 8.60 4.06 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 16 E 8.22 3.82 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 2.36 2.30 0.00 17 Q 8.04 4.02 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 18 L 7.70 4.33 0.00 1.88 2.21 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.92 3.01 0.00 2.07 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 20 A 7.95 3.92 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 21 V 7.60 3.64 2.43 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 0.91 0.00 0.00 1.16 0.00 0.00 22 W 7.87 3.89 0.00 3.52 3.44 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 23 R 7.87 4.05 0.00 0.92 1.62 0.00 3.27 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 24 D 7.68 4.50 0.00 2.78 2.64 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 25 L 8.00 3.66 0.00 1.52 1.38 0.90 0.93 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 26 P 0.00 4.62 0.00 1.87 1.96 0.00 3.77 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 27 G 7.77 3.72 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 0.00 0.00 0.00 28 L 7.68 3.57 0.00 1.22 1.30 0.27 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 3.98 0.00 1.84 2.11 0.00 3.48 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 30 L 7.50 4.11 0.00 1.59 1.61 0.82 0.70 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 31 L 7.25 4.12 0.00 0.98 0.67 -0.93 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.21 4.68 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 33 T 8.92 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 1.24 0.00 0.00 34 H 8.31 4.46 0.00 3.40 3.52 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.28 4.44 0.00 1.64 1.46 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.82 4.38 0.00 1.76 1.95 0.00 3.47 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 37 S 7.39 4.51 0.00 3.71 3.75 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 38 V 7.83 4.14 1.64 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 -0.06 0.00 0.00 -0.27 0.00 0.00 39 E 8.83 4.64 0.00 1.87 1.62 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 2.10 2.12 0.00 40 V 8.33 4.05 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 0.89 0.00 0.00 0.85 0.00 0.00 41 L 8.48 4.53 0.00 1.73 1.68 0.94 0.99 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 42 D 7.71 4.38 0.00 2.90 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 43 D 8.87 4.25 0.00 2.71 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 44 K 8.10 4.48 0.00 1.68 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 45 R 8.81 5.42 0.00 1.92 1.85 0.00 3.56 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 9.01 5.00 0.00 3.91 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 47 R 9.18 5.01 0.00 1.83 1.73 0.00 3.03 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 48 W 8.85 4.82 0.00 1.78 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 0.00 0.00 0.00 0.00 49 T 8.09 4.97 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 V 8.94 4.83 2.25 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 1.16 0.00 0.00 1.33 0.00 0.00 51 E 8.88 4.57 0.00 1.89 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 2.32 2.27 0.00 52 A 8.48 4.60 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 53 P 0.00 4.41 0.00 2.01 1.96 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.61 0.00 54 A 8.82 3.97 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.55 0.00 2.10 2.00 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 56 L 8.75 4.35 0.00 1.64 1.20 0.96 1.12 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 57 G 5.38 5.03 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 0.00 0.00 0.00 58 T 7.17 4.69 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 1.30 0.00 0.00 59 V 8.88 4.68 2.28 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 1.30 0.00 0.00 1.01 0.00 0.00 60 S 8.80 5.32 0.00 3.92 3.73 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 61 W 8.40 5.22 0.00 3.42 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 62 E 9.04 5.11 0.00 2.15 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 2.38 2.44 0.00 63 A 9.41 5.41 1.13 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 0.00 0.00 64 E 9.03 5.32 0.00 2.16 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 2.25 2.35 0.00 65 L 9.02 4.88 0.00 1.66 1.81 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 T 9.14 4.59 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 1.23 0.00 0.00 67 A 7.69 4.47 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 68 D 8.91 4.91 0.00 2.79 2.67 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 69 E 9.52 4.54 0.00 1.98 1.88 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 2.26 2.31 0.00 70 P 0.00 2.97 0.00 1.84 1.79 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 71 G 5.51 3.73 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 0.00 72 K 8.34 4.75 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 73 R 7.80 5.26 0.00 1.88 2.02 0.00 3.21 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 74 I 8.82 5.42 2.25 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 1.57 1.34 1.25 0.00 0.00 75 A 9.67 5.25 1.14 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 76 W 8.50 5.89 0.00 3.48 3.41 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 77 R 8.83 5.13 0.00 1.82 1.94 0.00 2.75 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 78 S 8.84 4.84 0.00 3.73 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 79 L 8.71 4.47 0.00 1.89 1.67 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.35 0.00 2.04 1.98 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 2.03 2.08 0.00 81 G 8.90 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 82 A 7.30 4.17 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 83 R 8.91 4.07 0.00 1.97 2.09 0.00 3.41 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 84 I 7.11 4.37 0.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.49 0.00 0.00 85 E 8.26 4.10 0.00 1.82 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 2.22 2.13 0.00 86 N 8.89 5.66 0.00 2.76 2.52 0.00 0.00 6.35 7.16 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 87 S 8.22 4.77 0.00 3.76 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 88 G 7.56 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.05 4.81 0.00 1.73 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 2.06 2.12 0.00 90 V 8.93 4.50 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 -0.48 0.00 0.00 0.78 0.00 0.00 91 L 8.40 4.91 0.00 1.40 1.41 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.95 5.03 0.00 3.09 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 93 R 8.72 4.80 0.00 1.75 1.81 0.00 3.10 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 94 P 0.00 4.69 0.00 1.95 2.01 0.00 3.69 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 2.04 2.12 0.00 95 A 8.47 4.06 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.20 0.00 2.05 2.14 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 97 G 6.57 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.31 4.29 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 99 R 9.55 3.78 0.00 2.01 1.82 0.00 3.32 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 100 G 8.47 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 0.00 0.00 0.00 0.00 101 T 8.92 5.03 4.38 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 1.46 0.00 0.00 102 E 9.51 4.88 0.00 2.03 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 0.00 2.22 2.25 0.00 103 V 8.94 4.34 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 0.45 0.00 0.00 1.29 0.00 0.00 104 V 8.21 4.72 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 0.87 0.00 0.00 0.86 0.00 0.00 105 V 8.91 4.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.63 0.00 0.00 106 R 8.87 4.98 0.00 1.77 1.56 0.00 3.00 0.00 0.00 3.06 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 107 L 9.47 5.38 0.00 1.61 1.61 1.16 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 0.00 108 T 8.75 5.14 4.16 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 1.12 0.00 0.00 *109 Y 8.92 5.08 0.00 1.97 2.11 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 0.00 110 R 9.12 4.75 0.00 1.41 1.79 0.00 3.24 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 111 P 0.00 4.38 0.00 1.85 1.89 0.00 3.70 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 1.94 1.60 0.00 112 P 0.00 4.52 0.00 2.08 1.93 0.00 3.74 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 1.90 1.57 0.00 *128 P 0.00 4.57 0.00 2.01 2.09 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 129 S 7.76 4.30 0.00 4.05 4.16 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 0.00 130 Q 8.01 4.01 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 131 Q 8.01 3.98 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 132 L 7.98 4.00 0.00 1.87 1.84 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.93 4.12 0.00 2.19 2.14 0.00 3.29 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 134 D 8.20 4.40 0.00 2.94 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 0.00 135 D 8.39 4.44 0.00 2.95 3.02 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 0.00 136 L 8.44 4.33 0.00 1.95 1.90 1.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 137 M 8.46 4.17 0.00 2.10 2.28 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 2.83 2.63 0.00 138 R 8.33 3.96 0.00 2.07 2.22 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 139 F 8.52 4.43 0.00 3.21 3.44 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 0.00 140 K 8.28 3.72 0.00 1.93 2.04 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 141 R 8.17 3.86 0.00 1.92 2.08 0.00 3.16 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 1.63 1.68 0.00 142 E 8.62 3.95 0.00 2.07 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 2.50 0.00 143 Q 7.67 3.87 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 144 E 8.27 4.06 0.00 1.88 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 2.30 2.50 0.00 145 L 7.81 4.39 0.00 1.68 1.71 0.92 0.97 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 0.00 146 G 7.94 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 0.00 147 L 7.59 4.17 0.00 1.74 1.66 0.98 0.55 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 * Residues marked with a * may have inaccurate shift predictions.