NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.2234 8.2531 123.5853 52.3902 19.8834 175.5091 12 G 3.7964 8.5209 111.9165 44.5832 0.0000 167.1834 13 E 4.9659 10.7574 128.6334 54.9555 32.1756 172.6905 14 I 4.8913 8.7599 128.7664 59.3472 40.4428 174.4826 15 L 4.5420 8.7766 129.8103 53.8552 43.4449 175.0673 16 I 4.5042 8.7805 128.5523 60.1360 39.1017 175.0869 17 V 4.5439 9.0086 128.3351 61.5116 32.7629 174.0802 18 E 4.7658 8.9721 129.5704 55.2731 32.6018 175.4303 19 D 4.3260 8.9079 127.1283 56.7789 41.9581 176.6918 20 S 4.2859 8.1275 114.4455 57.2945 63.0972 172.9121 21 P 4.2186 0.0000 0.0000 65.6429 31.1930 178.7563 22 T 3.9706 7.7661 108.3845 64.7595 69.0451 176.8665 23 Q 3.9844 7.9569 120.5248 58.4700 28.6284 178.3512 24 A 3.9249 8.1364 121.9958 55.1784 18.3182 179.2939 25 E 3.7159 8.0364 117.6250 59.6193 29.7306 178.4537 26 H 4.1840 8.3142 118.2543 59.3526 29.7698 177.2588 27 L 3.9704 8.0265 120.8065 57.4279 41.4394 179.3600 28 K 3.8960 8.1537 119.8785 59.7900 32.1323 178.3876 29 H 4.1840 8.3878 117.0180 59.1087 28.2590 177.9384 30 I 3.8526 7.7519 114.3587 63.5181 37.4191 177.9464 31 L 4.1233 7.7235 121.1308 57.4054 41.7796 178.8948 32 E 4.6530 8.1450 119.8751 58.8138 29.1740 179.1515 33 E 4.0147 8.1659 118.2192 58.9842 29.6230 177.8279 34 T 4.1097 7.1207 106.5852 61.0670 69.3686 175.1797 35 G 3.8759 7.4338 109.6588 45.4281 0.0000 173.6733 36 Y 4.6794 8.0015 118.2117 57.4394 39.7757 174.1999 37 Q 4.9263 9.1702 123.8856 55.1806 30.9307 174.5658 38 T 5.2757 8.4764 114.7520 60.0543 72.3000 172.6485 39 E 4.8454 9.0725 121.2788 54.8627 33.9824 174.1590 40 H 5.3324 8.6603 120.7944 54.5595 32.7816 172.8132 41 V 4.3145 8.4354 123.3546 61.5473 34.8486 175.8977 42 R 4.2667 8.9899 123.2854 56.7892 31.0818 175.8463 43 N 4.8993 7.4937 113.4344 50.3121 40.4119 175.1702 44 G 3.5060 8.5593 104.2933 47.9299 0.0000 175.9435 45 R 3.7106 7.8981 120.5138 59.1292 30.0409 178.3423 46 E 3.9722 8.6182 118.4170 59.0014 29.4008 179.0468 47 A 3.9490 7.7136 120.5719 54.9701 18.2916 179.5506 48 V 3.1864 7.7054 116.9804 66.4096 31.2407 178.5085 49 R 3.9326 7.4532 115.7332 59.1387 30.0629 178.5553 50 F 4.1968 8.5979 120.8270 61.2034 39.2700 176.7267 51 L 4.9050 7.9231 117.2113 55.8010 41.7038 178.9100 52 S 4.3097 7.8473 115.5105 60.6704 62.7879 174.5927 53 L 4.3764 7.6602 121.3211 55.7007 43.5231 176.3173 54 T 4.3745 7.6630 114.5612 61.3631 71.0077 173.0394 55 R 4.5603 8.4011 125.8293 54.0224 30.3426 174.0826 56 P 4.7694 0.0000 0.0000 62.1037 32.7395 175.8305 57 D 4.6274 9.2282 119.6091 56.6848 41.3893 176.9590 58 L 4.8618 7.7075 118.1654 53.5008 46.1556 174.6879 59 I 4.9434 8.7014 124.3553 59.5000 40.7200 174.4458 60 I 4.8220 8.6221 127.1764 59.5297 39.8952 174.5509 61 S 5.0232 8.9723 121.7476 56.4338 65.8400 173.2038 62 D 4.9144 8.6826 126.2087 53.4863 42.8761 176.5960 63 V 3.5094 8.2064 118.7342 64.7789 32.4873 175.5325 64 L 4.4375 7.6373 119.9173 54.6124 42.0512 176.3149 65 M 4.4686 7.8988 120.4074 54.0077 35.6580 172.9735 66 P 4.3872 0.0000 0.0000 63.4383 31.7810 174.1570 67 E 3.8835 8.4660 121.0668 56.3804 28.1840 174.2911 68 M 4.5435 7.2338 118.2219 53.0320 34.9841 175.1236 69 D 5.0158 8.5551 126.7057 52.4974 42.3340 177.2358 70 G 3.8021 8.4396 107.6879 47.2925 0.0000 175.7756 71 Y 4.3344 7.6935 118.3789 61.2176 38.0836 178.0990 72 A 4.1493 8.1149 121.5696 54.9523 18.4145 179.5070 73 L 4.0077 8.1363 119.0531 58.4254 42.2065 178.9461 74 C 4.1921 8.1297 116.5628 62.9652 27.9039 176.1864 75 R 3.9962 7.9570 118.1603 59.0458 29.9910 178.5523 76 W 4.2976 8.4211 127.8867 60.6355 30.6420 177.8263 77 L 3.8717 8.7023 119.2507 57.8751 40.9312 179.4611 78 K 4.2194 8.1006 116.1563 58.1316 32.1267 179.0202 79 G 3.6476 7.5987 105.8757 45.8109 0.0000 174.1987 80 Q 4.0370 6.9651 121.2812 54.4887 29.3576 175.4262 81 P 4.2475 0.0000 0.0000 64.9559 31.5000 177.7327 82 D 4.6093 7.9474 115.7829 54.3014 40.5311 177.5254 83 L 4.4413 7.5547 119.0463 55.5617 42.4492 178.0629 84 R 3.9992 7.8150 118.4513 59.3146 29.8968 177.4328 85 T 4.0643 7.7469 107.3511 63.7076 69.4639 174.7966 86 I 4.0098 7.4646 123.9421 60.1837 37.5721 174.5150 87 P 4.5189 0.0000 0.0000 63.0085 32.5725 175.2083 88 V 4.7401 8.6451 122.9609 61.1061 34.4266 173.9407 89 I 4.6375 8.6076 129.0004 59.5967 39.2695 174.2730 90 L 4.7169 8.6250 130.5495 53.8561 43.1544 175.1667 91 L 4.9376 8.9908 127.8292 54.1298 42.8880 175.8199 92 T 4.7099 9.0597 118.3370 60.2116 71.6196 172.0160 93 I 4.5820 8.4111 125.7419 59.3965 40.1526 175.6363 94 L 4.5674 8.7311 130.5497 53.1923 40.5866 175.5824 95 S 4.6863 9.4330 117.4697 58.0492 65.0059 174.5712 96 D 4.8054 7.8041 119.2058 49.9391 42.4371 173.9436 97 P 4.2219 0.0000 0.0000 66.2739 31.0618 179.0807 98 R 3.9267 8.1618 116.0792 59.1131 29.9528 178.6391 99 D 4.3538 8.3060 118.9592 57.2590 40.8332 178.9289 100 V 3.4771 7.6398 118.2307 65.9227 31.7180 178.0809 101 V 3.5000 7.7738 117.9282 66.1272 31.1643 178.2298 102 R 3.6239 7.6866 116.6501 59.0595 29.8489 179.0146 103 S 4.4803 7.7880 114.9814 61.7051 62.6561 176.7870 104 L 3.9263 7.7096 120.1755 57.1250 41.3803 178.5367 105 E 4.3773 7.7612 116.3835 57.3429 29.9411 177.5206 106 C 4.4629 7.9736 114.4020 58.6312 30.1036 174.0471 107 G 3.8299 8.4521 108.0427 46.2934 0.0000 173.5271 108 A 4.1376 8.0045 121.0917 51.8030 18.9404 178.2325 109 D 4.6330 7.9811 118.6291 56.0597 41.8442 176.6842 110 D 4.7037 7.2918 117.0524 52.8575 44.8272 173.7187 111 F 5.3994 8.8972 123.1596 55.7810 42.2586 174.5509 112 I 4.7621 8.8717 123.6748 59.6507 40.7069 174.7625 113 T 4.7732 8.6307 117.5425 61.0354 69.9257 174.8207 114 K 4.0857 9.2197 124.4926 56.2266 33.4971 176.3280 115 P 3.8046 0.0000 0.0000 62.8037 28.2423 174.7451 116 C 4.9453 8.1229 118.8441 55.2234 33.1973 174.2808 117 K 4.2276 8.3270 120.1179 56.1080 33.3949 177.9990 118 D 4.4332 8.8362 123.5416 57.7183 40.8160 179.3789 119 V 3.5972 7.7754 118.1322 65.8543 31.5256 178.2247 120 V 3.5624 7.6508 117.5028 65.9146 31.6825 177.4214 121 L 3.8925 7.7744 119.5152 58.1695 41.8127 178.7907 122 A 4.0693 8.3721 121.1139 55.3640 18.3123 179.8380 123 S 4.2240 8.1483 112.5790 61.5924 63.1882 176.4856 124 H 4.1079 8.3775 120.1114 58.6055 28.4845 177.7595 125 V 3.4834 7.6831 119.8095 65.8030 31.2887 177.6827 126 K 3.9368 7.9912 119.2629 59.7321 31.9134 178.4816 127 R 3.8709 8.2149 118.8737 59.6330 30.1117 178.5469 128 L 4.0414 8.0625 118.5151 57.4366 41.3302 179.1734 129 L 4.2801 7.7187 118.2839 56.8895 41.5653 178.9561 130 S 4.4148 8.4722 114.7993 61.0208 62.8162 176.7739 131 G 3.6905 7.7951 108.8351 46.9048 0.0000 174.8006 132 V 4.4024 7.2432 111.9060 61.2547 33.1084 176.4481 133 K 4.6224 7.4615 114.6131 56.7062 32.4176 177.3276 134 R 4.6779 8.0448 114.9887 56.1506 31.0346 175.7536 135 T 4.5103 7.3095 114.8871 62.2557 71.7815 172.6279 *142 E 4.1536 8.5402 120.3248 57.1705 30.5942 176.4028 143 S 4.2654 8.7064 118.4860 60.4574 63.3210 174.6559 144 I 4.4902 7.3957 120.5438 59.4663 39.0721 174.8242 145 T 4.5735 8.2239 118.9599 60.0290 70.2064 173.1105 146 L 4.3061 8.3842 127.8717 54.4262 42.7108 176.6791 147 A 4.7834 8.1178 124.1489 51.3240 19.6088 177.1385 148 F 4.4627 7.7163 120.8516 58.7312 37.2647 173.7362 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 11 A 8.25 4.22 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 12 G 8.52 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 0.00 0.00 0.00 13 E 10.76 4.97 0.00 2.05 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 2.38 2.48 0.00 14 I 8.76 4.89 1.79 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.45 0.84 0.00 0.00 15 L 8.78 4.54 0.00 1.50 1.42 -0.07 0.86 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 16 I 8.78 4.50 1.83 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 1.06 0.40 0.88 0.00 0.00 17 V 9.01 4.54 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 0.88 0.00 0.00 0.84 0.00 0.00 18 E 8.97 4.77 0.00 2.06 1.74 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 2.26 2.43 0.00 19 D 8.91 4.33 0.00 2.72 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 20 S 8.13 4.29 0.00 3.90 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 21 P 0.00 4.22 0.00 2.18 2.07 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 22 T 7.77 3.97 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 23 Q 7.96 3.98 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 24 A 8.14 3.92 1.18 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 0.00 0.00 25 E 8.04 3.72 0.00 2.21 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 2.29 2.24 0.00 26 H 8.31 4.18 0.00 3.32 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.03 3.97 0.00 1.90 1.67 0.93 0.50 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 28 K 8.15 3.90 0.00 1.85 1.83 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.65 1.44 7.81 29 H 8.39 4.18 0.00 3.28 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.75 3.85 1.85 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 1.58 0.80 0.76 0.00 0.00 31 L 7.72 4.12 0.00 1.80 1.91 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.15 4.65 0.00 2.16 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 2.54 2.30 0.00 33 E 8.17 4.01 0.00 2.05 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 2.34 2.30 0.00 34 T 7.12 4.11 4.13 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 1.21 0.00 0.00 35 G 7.43 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 36 Y 8.00 4.68 0.00 3.06 2.97 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 37 Q 9.17 4.93 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 38 T 8.48 5.28 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 39 E 9.07 4.85 0.00 1.53 1.69 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 2.42 2.63 0.00 40 H 8.66 5.33 0.00 3.03 3.09 0.00 5.70 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 41 V 8.44 4.31 1.83 0.00 0.00 0.00 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 42 R 8.99 4.27 0.00 1.96 1.92 0.00 3.17 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.41 0.00 43 N 7.49 4.90 0.00 2.96 2.85 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.56 3.51 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 0.00 0.00 0.00 45 R 7.90 3.71 0.00 1.83 2.03 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 46 E 8.62 3.97 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 2.29 2.47 0.00 47 A 7.71 3.95 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 48 V 7.71 3.19 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 0.61 0.00 0.00 -0.08 0.00 0.00 49 R 7.45 3.93 0.00 1.99 1.99 0.00 3.21 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 50 F 8.60 4.20 0.00 3.12 3.21 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 51 L 7.92 4.91 0.00 2.02 1.91 1.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.85 4.31 0.00 3.97 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 53 L 7.66 4.38 0.00 1.47 1.47 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.66 4.37 3.13 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 1.13 0.00 0.00 55 R 8.40 4.56 0.00 1.74 1.87 0.00 3.32 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 56 P 0.00 4.77 0.00 2.48 2.17 0.00 3.94 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 57 D 9.23 4.63 0.00 2.65 2.76 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 58 L 7.71 4.86 0.00 1.57 1.31 0.81 0.82 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 59 I 8.70 4.94 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.88 0.00 0.00 60 I 8.62 4.82 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.85 0.91 0.00 0.00 61 S 8.97 5.02 0.00 3.78 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.91 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.21 3.51 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.49 0.00 0.00 64 L 7.64 4.44 0.00 1.64 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 M 7.90 4.47 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 66 P 0.00 4.39 0.00 2.01 1.95 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 67 E 8.47 3.88 0.00 2.10 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 2.16 2.25 0.00 68 M 7.23 4.54 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 69 D 8.56 5.02 0.00 3.12 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 70 G 8.44 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 0.00 0.00 0.00 71 Y 7.69 4.33 0.00 3.23 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 72 A 8.11 4.15 1.42 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 73 L 8.14 4.01 0.00 1.77 1.84 0.95 0.72 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 74 C 8.13 4.19 0.00 3.34 3.20 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 75 R 7.96 4.00 0.00 2.05 2.10 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 76 W 8.42 4.30 0.00 3.54 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 77 L 8.70 3.87 0.00 2.02 1.75 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.10 4.22 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.70 1.73 7.81 79 G 7.60 3.65 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 0.00 0.00 0.00 80 Q 6.97 4.04 0.00 1.67 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.74 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 81 P 0.00 4.25 0.00 1.98 2.08 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 82 D 7.95 4.61 0.00 2.81 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 83 L 7.55 4.44 0.00 1.55 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 84 R 7.81 4.00 0.00 1.97 1.93 0.00 3.22 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 85 T 7.75 4.06 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 1.20 0.00 0.00 86 I 7.46 4.01 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 1.02 0.00 0.00 87 P 0.00 4.52 0.00 2.07 2.16 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 88 V 8.65 4.74 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 0.92 0.00 0.00 0.98 0.00 0.00 89 I 8.61 4.64 1.80 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 1.07 0.58 0.86 0.00 0.00 90 L 8.62 4.72 0.00 1.52 1.47 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.99 4.94 0.00 1.56 1.57 0.90 0.36 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 92 T 9.06 4.71 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 1.46 0.00 0.00 93 I 8.41 4.58 1.89 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 1.37 1.09 0.92 0.00 0.00 94 L 8.73 4.57 0.00 1.67 1.61 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.43 4.69 0.00 3.93 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 96 D 7.80 4.81 0.00 2.86 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 97 P 0.00 4.22 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 98 R 8.16 3.93 0.00 2.10 1.95 0.00 3.11 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 99 D 8.31 4.35 0.00 2.92 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 0.00 100 V 7.64 3.48 2.19 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 0.96 0.00 0.00 0.89 0.00 0.00 101 V 7.77 3.50 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 0.91 0.00 0.00 0.91 0.00 0.00 102 R 7.69 3.62 0.00 1.46 0.66 0.00 3.17 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.00 103 S 7.79 4.48 0.00 3.86 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.71 3.93 0.00 1.73 1.67 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.76 4.38 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 106 C 7.97 4.46 0.00 3.47 3.43 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 0.00 107 G 8.45 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.00 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.98 4.63 0.00 2.62 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 0.00 110 D 7.29 4.70 0.00 2.70 2.35 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 0.00 111 F 8.90 5.40 0.00 2.95 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 0.00 112 I 8.87 4.76 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 0.89 0.00 0.00 113 T 8.63 4.77 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 1.25 0.00 0.00 114 K 9.22 4.09 0.00 1.66 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.42 7.81 115 P 0.00 3.80 0.00 2.12 2.29 0.00 3.88 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 1.99 1.97 0.00 116 C 8.12 4.95 0.00 3.01 3.06 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 0.00 0.00 0.00 117 K 8.33 4.23 0.00 1.80 1.78 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.48 7.81 118 D 8.84 4.43 0.00 2.71 2.76 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 0.00 119 V 7.78 3.60 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 1.05 0.00 0.00 0.95 0.00 0.00 120 V 7.65 3.56 2.19 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 0.90 0.00 0.00 0.94 0.00 0.00 121 L 7.77 3.89 0.00 1.82 1.85 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.37 4.07 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 0.00 123 S 8.15 4.22 0.00 4.13 4.18 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 0.00 124 H 8.38 4.11 0.00 3.42 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.68 3.48 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 0.50 0.00 0.00 0.90 0.00 0.00 126 K 7.99 3.94 0.00 2.07 2.03 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.53 7.81 127 R 8.21 3.87 0.00 1.98 2.07 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 128 L 8.06 4.04 0.00 1.76 1.67 0.91 0.40 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 0.00 129 L 7.72 4.28 0.00 1.88 1.76 0.72 0.79 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 0.00 130 S 8.47 4.41 0.00 4.06 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 0.00 131 G 7.80 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 0.00 0.00 0.00 132 V 7.24 4.40 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 0.79 0.00 0.00 1.01 0.00 0.00 133 K 7.46 4.62 0.00 1.92 1.81 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.54 7.81 134 R 8.04 4.68 0.00 1.75 1.88 0.00 3.15 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 135 T 7.31 4.51 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 *142 E 8.54 4.15 0.00 1.97 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 2.20 2.27 0.00 143 S 8.71 4.27 0.00 3.85 3.92 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 0.00 144 I 7.40 4.49 1.86 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 1.18 0.61 0.90 0.00 0.00 145 T 8.22 4.57 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 146 L 8.38 4.31 0.00 1.41 1.19 0.81 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.12 4.78 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 0.00 148 F 7.72 4.46 0.00 3.09 2.90 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 * Residues marked with a * may have inaccurate shift predictions.