NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4404 8.3049 120.3483 55.5002 32.4195 174.7132 2 K 4.1733 8.2454 125.2106 55.1357 36.2601 174.5836 3 T 3.7615 8.4919 122.7534 62.0664 71.9878 172.3636 4 Y 4.2955 8.0078 114.1338 59.0757 42.5690 176.5441 5 V 3.0437 7.5126 112.5969 63.6127 29.0043 171.1132 6 P 4.6876 0.0000 0.0000 66.0288 32.2630 176.3864 7 K 4.3157 8.4071 116.5207 56.0038 33.5447 176.7820 8 Q 3.4121 7.6722 118.8727 57.1247 25.3630 176.7919 9 V 3.7027 7.3526 118.3077 63.0056 32.5192 175.0463 10 E 4.2262 8.4358 125.9671 54.6164 30.3208 174.8589 11 P 4.2639 0.0000 0.0000 62.5111 30.5262 176.0033 12 R 4.2351 8.4596 125.9020 56.0401 30.5656 175.3730 13 W 4.8895 8.8898 126.5349 56.3650 30.8010 175.9254 14 V 4.6256 8.0401 120.9963 61.9205 35.4560 172.5561 15 L 5.2085 8.4355 125.3493 53.3250 45.4480 174.9525 16 I 4.7468 8.8059 126.2914 59.6680 41.1338 172.9064 17 D 4.7264 8.8395 129.8446 52.9299 42.1464 175.7550 18 A 4.7126 8.4569 127.5742 51.7911 19.4757 177.5430 19 E 4.0537 9.4095 119.4583 59.9740 29.4634 178.0443 20 G 4.2368 7.9640 104.5316 45.5290 0.0000 171.7850 21 K 4.9468 8.9031 121.9943 54.0013 36.3273 175.0107 22 T 5.1615 8.5589 113.1058 60.0674 69.8499 174.1255 23 L 3.7718 8.5574 127.5913 57.3060 40.8589 176.1210 24 G 4.2974 9.4978 115.4276 46.6624 0.0000 175.8844 25 R 4.1840 7.8231 119.4014 56.9038 30.8088 177.3664 26 L 4.4436 7.6859 117.2124 56.6099 43.1811 177.5827 27 A 3.9744 8.1999 119.1156 56.1411 18.5853 178.6680 28 T 3.6857 8.2500 110.4465 65.8981 67.3025 175.5701 29 K 3.8136 7.9779 118.9428 59.9274 32.1745 179.1500 30 I 3.8644 7.5137 117.9646 64.1199 37.3311 177.2897 31 A 4.3812 7.8562 120.7586 54.2224 19.1839 179.3714 32 T 3.7142 7.6396 113.6856 66.3486 68.7544 175.9653 33 L 4.7161 8.1178 119.5993 55.0629 42.3075 177.6734 34 L 4.4803 7.8210 119.5189 55.1412 44.7811 174.7446 35 R 4.6495 7.3822 114.9427 53.9904 29.2797 174.4009 36 G 4.1713 7.8946 114.2793 45.5571 0.0000 171.1635 37 K 4.2910 8.3379 125.4914 55.2815 33.7172 176.4695 38 H 4.6790 8.4138 112.0665 56.0727 29.6291 174.8956 39 R 4.5992 7.3557 117.7526 53.5877 31.1110 176.0800 40 P 4.5698 0.0000 0.0000 63.2682 30.5830 176.3697 41 D 4.6466 8.8507 121.6675 56.4156 42.6827 176.5329 42 W 4.4634 7.0248 126.0684 54.9784 32.4427 174.8277 43 T 3.8702 7.2550 120.4693 60.8865 70.4564 173.2418 44 P 3.9085 0.0000 0.0000 62.4423 30.8773 176.6790 45 N 4.5480 7.4772 111.9759 51.6702 38.6982 172.5697 46 V 4.0604 8.0561 127.1627 61.4532 34.9156 173.3918 47 A 3.7945 7.8457 122.5120 53.1367 15.2030 179.1660 48 M 4.2465 8.3221 118.0258 58.7381 31.4991 176.9702 49 G 3.9507 7.4038 107.3456 44.9843 0.0000 173.0170 50 D 4.9289 8.5894 120.3294 54.6911 41.1612 175.4853 51 F 4.8153 8.7942 116.3838 56.0213 43.0452 175.1107 52 V 4.5624 7.8040 120.9792 61.3156 35.0369 173.9546 53 V 4.5127 8.5642 127.8244 61.4518 33.6066 174.6696 54 V 5.0207 8.7368 128.1544 59.9935 32.1011 175.3002 55 V 3.8084 8.1429 126.2242 60.7805 33.2883 176.2455 56 N 4.1619 8.7275 112.2762 54.8601 37.1499 175.6289 57 A 4.3782 8.4274 132.3362 51.5044 18.8021 176.8975 58 D 3.9609 9.1825 112.1683 55.8783 42.5247 175.0519 59 K 3.5119 8.8597 116.9400 57.8209 30.9957 175.1516 60 I 3.8199 8.2871 119.7937 62.1139 37.7428 176.2875 61 R 4.4929 9.3008 125.1698 56.2806 31.7908 176.0841 62 V 4.6726 8.1322 119.3146 59.9982 34.1615 172.8052 63 T 4.2045 9.0616 116.3483 64.2691 68.4807 179.3939 64 G 3.9380 8.7159 122.4995 45.8498 0.0000 174.9200 65 K 4.2501 8.5440 123.2973 56.5219 30.8136 176.7187 66 K 4.7351 8.1937 127.2206 56.3283 33.3884 177.8533 67 L 4.5454 8.1147 119.4546 52.2636 41.2527 176.2815 68 E 4.2335 8.7640 120.8501 56.0522 27.6278 175.4967 69 Q 4.5511 7.7060 116.2529 55.1951 29.2668 174.9003 70 K 4.6151 7.5303 117.4328 55.7070 35.4895 174.2601 71 I 5.1883 8.0686 125.6608 60.2337 41.8096 173.8863 72 Y 4.2270 8.8256 121.8491 57.4316 40.0853 175.3066 73 T 4.5569 8.5036 119.4702 62.1854 69.4233 173.4131 74 R 4.4809 8.4806 126.3983 54.6606 30.9313 172.7766 75 Y 4.9474 8.4147 126.2481 56.2666 40.0279 174.6253 76 S 4.4781 8.3240 121.6005 56.6872 64.5419 174.8597 77 G 3.5642 8.6472 110.6702 46.7286 0.0000 173.1784 78 Y 4.2892 7.4551 118.8839 55.4210 39.6290 172.9965 79 P 4.3605 0.0000 0.0000 63.5984 31.7578 177.2462 80 G 3.9895 9.1699 110.9422 46.1480 0.0000 173.9800 81 G 3.8759 7.8616 108.2180 45.6340 0.0000 172.8454 82 L 5.0127 7.7262 122.6437 53.4399 43.0024 176.2259 83 K 4.5417 9.2214 128.8276 55.3086 34.8009 175.0193 84 K 4.7028 8.4421 120.7901 54.6996 35.2910 176.5095 85 I 4.5856 8.3408 124.7142 58.4234 39.7511 173.5717 86 P 4.8213 0.0000 0.0000 62.2316 31.2105 176.3906 87 L 4.0274 8.3699 119.2759 57.9651 41.1574 178.6625 88 E 3.8956 7.9775 117.3279 59.8727 29.4449 179.4149 89 K 3.9820 7.8394 118.1942 59.4215 32.1067 179.0170 90 M 4.0996 7.9010 120.2863 58.1630 31.8173 178.7032 91 L 4.2929 7.5560 115.7685 55.7226 42.0251 177.3491 92 A 4.6106 8.5023 121.0107 51.5129 19.4850 176.0851 93 T 4.0239 7.6786 111.6732 63.2536 70.2788 173.1616 94 H 4.3597 8.7377 128.3050 56.6362 24.6784 174.5703 95 P 5.3967 0.0000 0.0000 62.7426 31.3263 178.1181 96 E 4.7259 8.3359 119.6728 57.8270 31.0768 177.8228 97 R 4.0880 8.0089 118.4361 59.0586 29.9189 178.5287 98 V 4.1919 7.8196 118.9946 65.3175 31.3377 177.7310 99 L 3.9748 7.7180 119.0442 58.3182 42.1666 178.1541 100 E 4.1351 8.6873 118.8571 60.0623 29.3232 179.4291 101 H 4.3850 9.1698 115.9368 58.9902 28.8251 177.5369 102 A 3.8094 7.6583 120.9588 55.7092 18.2226 178.6402 103 V 3.8941 8.1225 116.7692 64.3462 31.4496 178.0084 104 K 4.2942 9.4707 120.0755 59.3895 32.2672 178.0164 105 G 3.7944 8.7285 107.5695 45.7166 0.0000 174.4261 106 M 4.6139 8.3377 115.4457 55.6178 36.7758 175.0154 107 L 4.6199 7.2750 119.0506 52.3002 44.4924 176.2710 108 P 4.7572 0.0000 0.0000 63.0054 30.7301 177.0456 109 K 4.5401 8.6016 115.0980 55.0940 34.7905 176.7939 110 G 4.1250 7.6212 106.8391 43.1074 0.0000 172.0916 111 P 4.3204 0.0000 0.0000 64.6316 30.9686 178.1435 112 L 4.1570 7.8179 119.4436 57.7767 42.4901 178.6339 113 G 3.7022 7.9779 104.9917 47.7750 0.0000 175.0447 114 R 3.9563 8.4372 121.7881 58.8047 30.2829 178.0083 115 R 3.8607 8.2370 118.3512 59.7686 29.9188 178.3615 116 L 3.8900 9.3458 116.6972 58.4332 41.9525 178.6707 117 F 3.9704 8.2752 119.7019 61.3647 38.9092 177.2560 118 K 3.8955 8.3566 119.0239 59.3624 32.2656 178.7610 119 R 3.7257 7.6112 119.0298 55.1330 29.1557 176.7159 120 L 4.4538 7.1021 121.2089 54.1009 44.2599 174.3763 121 K 4.4669 8.2869 125.5059 54.6490 34.0540 175.9493 122 V 4.9601 8.1987 124.2933 61.3987 34.3364 173.9724 123 Y 4.7781 8.7442 124.0171 55.3846 41.7440 175.6865 124 A 4.9574 8.2126 124.3186 51.5932 19.0931 178.3727 125 G 4.2012 7.4843 122.6549 43.8120 0.0000 171.6233 126 P 4.3556 0.0000 0.0000 63.3728 31.3585 173.9018 127 D 4.3986 8.7937 119.3635 54.9000 36.5395 173.1908 128 H 4.0353 8.1245 118.4074 52.3503 28.5208 173.6637 129 P 4.2672 0.0000 0.0000 63.6501 29.7715 175.8395 130 H 5.5173 7.5732 135.0000 56.6793 28.3462 175.1019 131 Q 3.9070 7.4389 121.6053 56.2897 29.1276 174.7952 132 A 4.1052 8.5776 125.9269 50.9608 20.3805 174.9110 133 Q 4.9456 7.1661 114.1370 54.6861 31.2365 171.9313 134 R 4.8861 7.4016 111.6845 55.8398 30.4024 175.0537 135 P 4.5807 0.0000 0.0000 62.6318 29.1367 175.3631 136 E 4.6390 7.8457 117.5064 56.4144 31.1457 176.2195 137 K 4.6471 7.9729 128.0969 55.6447 31.1529 179.3493 138 L 4.5282 8.1941 117.0397 56.1542 43.6972 174.3707 *139 E 4.1515 8.2597 117.7356 55.9637 30.3597 176.8855 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 1 M 8.30 4.44 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 2 K 8.25 4.17 0.00 1.77 1.49 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.55 7.81 3 T 8.49 3.76 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 1.08 0.00 0.00 4 Y 8.01 4.30 0.00 2.93 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.51 3.04 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 0.79 0.00 0.00 0.90 0.00 0.00 6 P 0.00 4.69 0.00 2.21 2.23 0.00 3.82 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 1.92 2.21 0.00 7 K 8.41 4.32 0.00 1.90 1.95 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.49 7.81 8 Q 7.67 3.41 0.00 2.12 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 9 V 7.35 3.70 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 1.13 0.00 0.00 10 E 8.44 4.23 0.00 1.97 1.85 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 2.29 2.36 0.00 11 P 0.00 4.26 0.00 1.55 1.81 0.00 3.84 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 1.98 1.95 0.00 12 R 8.46 4.24 0.00 2.04 1.97 0.00 3.27 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.80 0.00 13 W 8.89 4.89 0.00 3.08 3.17 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 14 V 8.04 4.63 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 0.93 0.00 0.00 1.04 0.00 0.00 15 L 8.44 5.21 0.00 1.71 1.47 0.92 0.89 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 16 I 8.81 4.75 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 1.12 1.25 0.91 0.00 0.00 17 D 8.84 4.73 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.71 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 19 E 9.41 4.05 0.00 1.97 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 2.65 2.36 0.00 20 G 7.96 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.90 4.95 0.00 1.73 1.62 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.49 7.81 22 T 8.56 5.16 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 1.21 0.00 0.00 23 L 8.56 3.77 0.00 1.70 1.75 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.50 4.30 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 0.00 25 R 7.82 4.18 0.00 1.96 1.99 0.00 3.33 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 26 L 7.69 4.44 0.00 1.75 1.77 0.92 0.91 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 27 A 8.20 3.97 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 28 T 8.25 3.69 4.33 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 1.18 0.00 0.00 29 K 7.98 3.81 0.00 1.96 1.81 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.52 7.81 30 I 7.51 3.86 2.02 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 1.44 0.63 0.88 0.00 0.00 31 A 7.86 4.38 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 32 T 7.64 3.71 4.15 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 1.09 0.00 0.00 33 L 8.12 4.72 0.00 1.57 1.57 0.82 0.80 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 34 L 7.82 4.48 0.00 1.71 1.68 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.38 4.65 0.00 2.11 1.96 0.00 3.07 0.00 0.00 2.98 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.25 0.00 36 G 7.89 4.17 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 0.00 37 K 8.34 4.29 0.00 1.32 1.54 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.00 7.81 38 H 8.41 4.68 0.00 3.30 3.34 0.00 5.55 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.36 4.60 0.00 1.97 1.96 0.00 2.92 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 40 P 0.00 4.57 0.00 2.19 2.18 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 41 D 8.85 4.65 0.00 2.54 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 42 W 7.02 4.46 0.00 3.45 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 43 T 7.26 3.87 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 0.99 0.00 0.00 44 P 0.00 3.91 0.00 2.15 2.23 0.00 3.35 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 45 N 7.48 4.55 0.00 2.69 2.76 0.00 0.00 6.70 8.23 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 46 V 8.06 4.06 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 0.61 0.00 0.00 0.93 0.00 0.00 47 A 7.85 3.79 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 48 M 8.32 4.25 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 49 G 7.40 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 50 D 8.59 4.93 0.00 2.62 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 51 F 8.79 4.82 0.00 1.95 2.08 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 52 V 7.80 4.56 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 0.92 0.00 0.00 0.95 0.00 0.00 53 V 8.56 4.51 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 1.00 0.00 0.00 1.19 0.00 0.00 54 V 8.74 5.02 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 1.06 0.00 0.00 0.93 0.00 0.00 55 V 8.14 3.81 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 0.73 0.00 0.00 0.97 0.00 0.00 56 N 8.73 4.16 0.00 2.80 3.20 0.00 0.00 6.86 7.96 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 57 A 8.43 4.38 1.27 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 0.00 0.00 0.00 58 D 9.18 3.96 0.00 3.00 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 59 K 8.86 3.51 0.00 2.01 1.98 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.40 7.81 60 I 8.29 3.82 1.90 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 1.25 0.69 1.00 0.00 0.00 61 R 9.30 4.49 0.00 1.85 1.84 0.00 3.32 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 62 V 8.13 4.67 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 0.65 0.00 0.00 0.94 0.00 0.00 63 T 9.06 4.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 64 G 8.72 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 65 K 8.54 4.25 0.00 1.76 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 66 K 8.19 4.74 0.00 1.69 1.75 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.43 7.81 67 L 8.11 4.55 0.00 1.60 1.80 0.93 1.10 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 68 E 8.76 4.23 0.00 2.05 2.41 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 2.17 2.33 0.00 69 Q 7.71 4.55 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 70 K 7.53 4.62 0.00 1.78 1.59 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.36 7.81 71 I 8.07 5.19 1.87 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 1.38 0.68 1.02 0.00 0.00 72 Y 8.83 4.23 0.00 3.11 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 73 T 8.50 4.56 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 74 R 8.48 4.48 0.00 2.00 1.86 0.00 3.08 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 75 Y 8.41 4.95 0.00 2.94 2.88 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 76 S 8.32 4.48 0.00 3.87 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 77 G 8.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.46 4.29 0.00 2.94 2.91 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 79 P 0.00 4.36 0.00 2.10 2.05 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 80 G 9.17 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 81 G 7.86 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 0.00 0.00 0.00 82 L 7.73 5.01 0.00 2.39 1.85 1.11 0.35 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 83 K 9.22 4.54 0.00 1.85 1.70 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.43 7.81 84 K 8.44 4.70 0.00 1.65 1.70 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.46 7.81 85 I 8.34 4.59 1.93 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 1.31 0.97 0.92 0.00 0.00 86 P 0.00 4.82 0.00 2.25 2.26 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 87 L 8.37 4.03 0.00 1.73 1.73 0.97 1.13 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 88 E 7.98 3.90 0.00 2.07 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 2.43 2.38 0.00 89 K 7.84 3.98 0.00 1.75 1.80 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.64 7.81 90 M 7.90 4.10 0.00 1.79 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.40 0.00 91 L 7.56 4.29 0.00 1.82 1.73 0.95 0.73 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 92 A 8.50 4.61 1.19 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 0.00 0.00 0.00 93 T 7.68 4.02 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 1.20 0.00 0.00 94 H 8.74 4.36 0.00 3.28 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.40 0.00 2.22 2.41 0.00 3.79 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 2.07 1.91 0.00 96 E 8.34 4.73 0.00 2.12 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 0.00 2.34 2.37 0.00 97 R 8.01 4.09 0.00 1.74 1.99 0.00 3.04 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 98 V 7.82 4.19 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 1.15 0.00 0.00 0.94 0.00 0.00 99 L 7.72 3.97 0.00 1.75 1.82 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.69 4.14 0.00 2.08 2.32 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 2.37 2.56 0.00 101 H 9.17 4.38 0.00 3.55 3.49 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.66 3.81 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.89 2.41 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 1.16 0.00 0.00 0.97 0.00 0.00 104 K 9.47 4.29 0.00 1.50 1.81 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.28 7.81 105 G 8.73 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 8.34 4.61 0.00 1.95 2.17 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 2.55 2.50 0.00 107 L 7.27 4.62 0.00 1.71 1.66 1.17 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.76 0.00 2.21 2.00 0.00 3.74 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 2.10 2.05 0.00 109 K 8.60 4.54 0.00 1.71 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.41 7.81 110 G 7.62 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 0.00 0.00 0.00 111 P 0.00 4.32 0.00 2.18 2.12 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 112 L 7.82 4.16 0.00 1.79 1.69 0.96 1.27 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 0.00 113 G 7.98 3.70 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 0.00 0.00 0.00 114 R 8.44 3.96 0.00 2.11 1.91 0.00 3.13 0.00 0.00 3.08 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 115 R 8.24 3.86 0.00 2.06 2.14 0.00 3.17 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 1.59 1.68 0.00 116 L 9.35 3.89 0.00 1.78 1.74 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.28 3.97 0.00 3.26 3.27 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 0.00 118 K 8.36 3.90 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.89 7.81 119 R 7.61 3.73 0.00 1.76 1.33 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 0.00 120 L 7.10 4.45 0.00 1.31 1.16 0.71 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.29 4.47 0.00 1.95 1.86 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.45 1.38 7.81 122 V 8.20 4.96 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 0.91 0.00 0.00 0.89 0.00 0.00 123 Y 8.74 4.78 0.00 2.93 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 0.00 124 A 8.21 4.96 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 0.00 125 G 7.48 4.20 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 0.00 126 P 0.00 4.36 0.00 2.21 2.14 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 127 D 8.79 4.40 0.00 2.81 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.12 4.04 0.00 3.05 3.22 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.27 0.00 2.17 2.08 0.00 2.90 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 130 H 7.57 5.52 0.00 3.52 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.44 3.91 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 132 A 8.58 4.11 -0.08 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 0.00 0.00 133 Q 7.17 4.95 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.61 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 134 R 7.40 4.89 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 135 P 0.00 4.58 0.00 2.11 2.10 0.00 3.95 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 2.17 2.09 0.00 136 E 7.85 4.64 0.00 1.93 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 2.37 2.40 0.00 137 K 7.97 4.65 0.00 1.79 1.32 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 138 L 8.19 4.53 0.00 1.58 1.56 0.92 0.79 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 *139 E 8.26 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.