NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3785 8.0333 115.2530 62.2040 69.4239 175.9913 3 E 3.9930 8.1750 120.6994 59.1218 29.3029 177.7055 4 N 4.4855 8.4402 116.4193 56.1410 39.0024 176.8177 5 L 3.9847 7.8730 121.4153 58.1986 42.1148 178.0150 6 Y 4.0226 8.2742 118.8211 60.9326 38.7837 178.0109 7 F 4.0233 8.4719 117.4923 60.4058 39.2493 177.0686 8 Q 4.3050 8.6064 119.6767 59.0350 28.7942 179.2596 9 G 3.8136 8.1915 104.0764 45.4859 0.0000 175.3162 *11 S 4.4211 8.0292 118.7917 58.3438 65.0063 176.0304 12 D 4.3256 8.2563 120.1835 57.3281 40.3743 179.1618 13 V 3.5379 7.8249 118.7084 65.8557 31.5880 178.0702 14 I 3.8094 7.6355 119.0259 64.7359 37.0881 178.2297 15 E 4.1498 8.5571 119.5985 59.0993 29.2163 179.7626 16 G 3.5873 8.4204 106.3611 47.8342 0.0000 175.8959 17 R 4.1417 8.1684 120.7775 59.0186 30.0375 178.9512 18 L 4.0459 7.7697 119.5652 58.0697 42.1242 179.0683 19 K 4.2839 8.0841 119.8177 59.0759 31.7817 179.1264 20 E 4.0296 8.2043 117.6165 58.8689 29.4170 178.5661 21 L 4.4280 7.3429 117.2914 54.4517 42.1285 177.2435 22 G 3.8460 7.6070 106.4652 44.9767 0.0000 173.6645 23 F 4.9305 8.5357 118.9216 55.5150 42.0315 174.2478 24 T 4.6836 8.2783 114.0279 59.4307 70.7888 174.3396 25 L 4.0881 8.3294 124.2236 54.1963 42.1623 175.5730 26 P 4.6128 0.0000 0.0000 61.7613 32.4537 176.5255 27 V 3.5936 8.3608 117.7625 64.8476 31.4931 174.8529 28 A 4.5689 7.5651 120.0622 49.7913 21.8019 173.8875 *33 A 4.0657 8.0579 121.3650 52.1158 19.3245 176.5796 34 N 4.5862 8.6463 115.2752 54.8259 38.9026 175.1937 35 Y 4.9187 7.6673 115.6049 54.9575 40.3892 175.1380 36 V 4.3740 7.8669 113.3785 58.7419 35.1166 175.0522 37 P 4.6391 0.0000 0.0000 65.4572 32.1546 176.0832 38 F 5.5416 6.8156 109.1839 56.1604 40.9741 173.5628 39 T 4.9616 9.2135 109.4211 60.1604 72.6522 172.5239 40 I 5.1973 8.4600 122.0061 59.6611 40.7443 175.1198 41 S 4.5569 9.1918 121.1142 57.1266 65.3427 174.0872 42 G 3.8484 8.4474 118.7822 47.2279 0.0000 173.2038 43 N 4.9085 8.8701 121.1953 52.0275 37.5553 172.9997 44 L 5.1202 8.0173 119.3304 53.4961 44.4513 175.0184 45 L 5.1096 9.0661 126.4070 53.6700 44.3986 174.4596 46 Y 4.8167 9.3854 125.3960 56.6241 39.8113 174.7725 47 V 4.8675 8.8027 125.7840 61.1562 33.4693 175.7382 48 S 4.6566 9.2704 124.5907 58.1615 63.7807 174.4331 49 G 3.9813 8.7416 109.1332 46.6060 0.0000 172.7823 50 Q 4.9348 9.2121 124.3881 54.2796 31.6600 175.0699 51 L 5.1334 8.3665 121.9119 52.2528 44.8857 174.0381 52 P 4.3970 0.0000 0.0000 62.4241 33.1720 175.1149 *54 E 4.2273 8.6117 122.4886 57.2217 30.3824 175.6378 55 S 3.8187 9.6181 122.5408 59.8033 60.4663 172.9663 56 G 3.9390 8.4931 104.0465 45.9742 0.0000 174.0807 57 K 4.5378 7.7324 117.2447 53.9297 35.4593 176.5339 58 I 4.0268 8.1830 122.3831 60.8444 36.5654 176.1243 59 A 4.1280 8.8983 130.6501 54.0464 18.7665 177.7298 60 V 4.4002 7.6743 115.5398 61.4028 34.0898 174.1045 61 T 4.9509 8.5350 116.2740 60.7299 71.7057 173.6908 62 G 3.8348 9.1238 109.1924 44.7190 0.0000 171.9713 63 L 4.5708 8.7958 118.6416 53.0027 42.7969 176.9759 64 V 3.6911 8.4775 124.6079 64.1276 31.6948 176.8649 65 G 4.0237 8.9242 116.2231 45.2520 0.0000 172.9415 66 R 4.3844 7.4682 116.1130 57.6425 31.8819 175.6209 67 D 4.6757 8.5915 116.1070 55.1662 42.0500 177.5298 68 V 4.4206 7.2526 110.9133 58.7218 35.5693 174.8416 69 D 4.9407 8.1597 123.1334 51.9912 42.7626 177.6501 70 V 3.5540 8.1380 117.3163 66.0635 31.4563 177.5311 71 A 4.2599 7.8586 121.3246 54.9076 18.3199 179.6496 72 S 4.0823 8.7942 113.7889 61.6522 62.7820 176.8444 73 A 4.0031 8.1808 123.5616 55.1202 17.7449 179.6278 74 Q 4.1049 8.7058 116.9766 59.1486 28.7876 179.0155 75 R 4.4102 8.3003 120.7494 58.8176 30.0335 178.1089 76 A 3.9961 8.1528 120.3065 55.3897 18.2597 179.4714 77 A 3.9100 8.1672 119.1506 55.2540 18.3003 179.5525 78 E 3.7325 8.2873 117.1010 59.6176 29.5141 179.6631 79 L 3.8745 7.9621 118.7531 57.8836 41.5899 179.2138 80 C 4.1661 8.2783 116.5928 62.9917 28.0385 176.1322 81 A 3.8877 8.1741 122.4308 55.1519 17.8448 179.8749 82 V 3.4010 7.8572 116.9738 66.1627 31.5528 178.0846 83 N 4.3660 8.3638 116.4128 56.0970 38.2956 177.4616 84 I 3.6785 7.9187 121.5528 64.4979 37.2050 178.4061 85 L 3.9292 8.1370 119.7077 57.7123 41.3804 179.4553 86 A 4.0048 8.3680 121.1041 55.3374 18.2186 179.7793 87 Q 4.0171 8.1558 116.6019 58.9440 28.7803 179.0282 88 V 3.3102 7.8698 119.4112 65.6234 31.5714 177.8347 89 K 3.7646 8.3415 119.5935 59.5034 32.1253 178.3518 90 A 3.9582 7.9009 120.6250 55.3518 18.1030 179.4931 91 A 3.4962 7.5336 117.9432 54.1834 18.3068 178.8437 92 L 4.4403 7.5741 115.7740 53.6506 42.1393 176.4404 93 N 4.1500 9.1008 114.2990 54.6171 36.4086 175.4658 94 G 3.9851 8.8028 106.3880 45.2800 0.0000 174.6373 95 D 4.8284 7.5869 120.5904 52.1401 40.5032 176.7492 96 L 4.1874 8.1114 124.0036 56.5232 42.0309 179.3394 97 S 4.3266 7.7708 112.6003 60.0529 63.3524 175.0464 98 K 4.6843 8.0352 119.7288 55.9656 32.0953 176.4570 99 I 4.0604 7.4228 121.7984 61.6986 37.3258 175.9288 100 R 4.3395 9.0012 125.7212 58.4376 31.0600 177.3484 101 R 4.7132 7.4944 117.3070 55.0203 33.6795 173.9553 102 V 4.1009 8.8593 127.3344 62.9360 31.9608 176.5035 103 I 3.9176 8.7657 130.3121 63.8541 38.2919 176.2809 104 K 5.0726 7.6773 121.1553 55.1007 35.8297 174.2366 105 L 5.0923 8.7531 126.1339 52.9749 45.3861 175.1011 106 N 4.7402 8.7332 120.5244 51.5730 40.7117 174.1619 107 G 3.8387 8.7242 113.1565 44.6062 0.0000 171.8903 108 F 5.4634 8.9580 126.4781 55.6779 41.3672 175.1746 109 V 4.7912 8.9008 124.6453 60.6696 34.0285 174.4660 110 A 4.4602 9.2568 131.3982 52.2877 19.1026 176.3068 111 S 5.1500 8.5123 117.8841 56.9051 67.1454 174.7520 112 V 4.0222 8.4799 116.6178 60.5715 32.2823 175.9346 113 P 4.3439 0.0000 0.0000 65.1737 31.3838 177.6536 114 E 4.1731 8.1157 116.0509 57.3513 29.9077 176.1727 115 F 4.5796 8.1193 122.4696 57.7266 39.7106 175.3666 116 V 4.4949 7.2158 120.2229 60.0125 33.3438 175.4304 117 E 4.5680 5.9000 117.8515 55.6001 30.5213 178.5129 118 Q 4.2666 7.9745 120.2069 59.2323 28.8748 177.7306 119 H 4.3034 8.3265 115.9251 58.8707 28.2646 177.5758 120 L 3.9553 7.3532 120.2000 57.1494 41.8221 179.2462 121 V 3.7797 7.6719 117.9621 66.2555 31.5337 178.2953 122 I 3.8590 8.0039 119.1460 63.9141 36.8380 177.8760 123 N 4.3596 8.4134 117.9853 56.1226 38.0847 177.0867 124 G 3.8214 8.0527 106.9047 47.9693 0.0000 175.5370 125 A 3.9601 7.7498 122.8032 54.8497 18.5709 179.5802 126 S 4.1665 8.2093 113.8266 62.0164 62.9011 176.8559 127 N 4.3232 8.5708 119.4328 56.0790 38.2425 177.3088 128 L 3.9171 7.6386 121.6546 58.2133 42.2893 179.0751 129 I 3.6209 8.0591 119.8804 64.3955 37.0308 178.3273 130 A 4.0236 8.2753 121.7799 55.3366 17.9355 179.8071 131 T 3.7832 7.8417 113.4293 66.9759 68.6774 176.8210 132 V 3.7461 7.6457 118.6024 65.1699 31.6480 177.1357 133 L 4.4330 7.8551 116.6748 55.4184 42.9791 178.7146 134 G 3.7923 8.5506 107.8009 45.2415 0.0000 174.2942 135 E 3.8969 8.9261 118.6572 59.0113 29.8398 178.3033 136 P 4.3225 0.0000 0.0000 65.1631 31.4984 178.3039 137 G 3.6479 8.1306 106.4662 47.2477 0.0000 174.1456 138 R 4.0901 7.7658 120.6018 56.2395 30.4530 175.5027 139 H 5.3121 8.2276 116.8494 52.3035 32.1551 172.9506 140 A 4.3365 8.5686 121.4054 52.5023 19.6217 176.3769 141 R 5.1487 8.1335 117.2190 55.3741 33.2717 173.8746 142 A 4.9244 8.7498 124.7544 50.0575 22.7913 175.0186 143 A 5.0683 8.4669 121.1170 50.4392 21.8318 175.9680 144 V 4.5362 8.8657 115.1491 59.9504 36.6566 175.1421 145 G 4.6681 8.6749 110.1013 44.5836 0.0000 173.3878 *147 A 4.4695 8.4736 122.0884 51.8669 20.2852 176.6671 148 S 4.5999 7.2705 106.6362 58.3102 65.1653 174.9565 149 L 4.7984 7.5649 118.9094 51.9427 45.7413 174.3114 150 P 4.1320 0.0000 0.0000 64.6699 31.5985 177.0112 151 F 3.5990 8.7436 118.9430 57.8494 36.4748 174.5468 152 N 4.2033 8.2978 117.0199 54.1978 37.6930 173.7403 153 A 4.5505 7.9282 118.4966 52.2924 19.1291 179.0674 154 S 4.5871 8.6979 117.5533 60.4494 64.0642 174.6037 155 V 5.0462 7.5897 117.1966 61.3121 34.6150 173.9477 156 E 5.1192 9.5001 126.5645 54.7902 33.6272 174.2137 157 I 5.3742 9.1807 126.0791 59.1912 41.9361 174.3100 158 D 5.3472 8.6419 125.6756 52.0251 42.9654 174.4780 159 A 5.0647 8.4357 118.0631 50.8641 23.2631 175.2746 160 I 4.6828 8.5923 120.4541 59.3337 40.7400 174.9728 161 V 4.6844 8.6113 126.4517 60.9454 34.9328 173.7372 162 E 4.9207 9.2858 129.7746 55.5321 30.7713 175.0990 163 I 5.0530 8.6117 119.9998 58.8205 40.9437 175.1911 164 D 4.6028 8.9182 121.7216 54.6836 40.8854 176.6014 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 T 8.03 4.38 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 3 E 8.17 3.99 0.00 2.27 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 2.51 2.60 0.00 4 N 8.44 4.49 0.00 2.79 2.92 0.00 0.00 6.79 6.74 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 5 L 7.87 3.98 0.00 1.81 1.88 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.27 4.02 0.00 3.01 3.19 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 7 F 8.47 4.02 0.00 3.23 3.35 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 8 Q 8.61 4.31 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 9 G 8.19 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 S 8.03 4.42 0.00 4.08 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.26 4.33 0.00 2.81 2.70 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 13 V 7.82 3.54 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 0.99 0.00 0.00 0.90 0.00 0.00 14 I 7.64 3.81 1.98 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 1.75 0.73 0.89 0.00 0.00 15 E 8.56 4.15 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 16 G 8.42 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.17 4.14 0.00 2.04 2.01 0.00 3.25 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 18 L 7.77 4.05 0.00 1.79 1.90 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.08 4.28 0.00 2.03 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.59 7.81 20 E 8.20 4.03 0.00 2.16 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 2.35 2.54 0.00 21 L 7.34 4.43 0.00 2.00 1.96 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.61 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 0.00 0.00 0.00 23 F 8.54 4.93 0.00 3.04 2.89 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 0.00 0.00 0.00 0.00 24 T 8.28 4.68 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 25 L 8.33 4.09 0.00 1.67 1.66 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.61 0.00 2.26 2.08 0.00 3.78 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 1.90 1.96 0.00 27 V 8.36 3.59 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 0.80 0.00 0.00 0.94 0.00 0.00 28 A 7.57 4.57 1.22 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 0.00 0.00 0.00 *33 A 8.06 4.07 0.94 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 34 N 8.65 4.59 0.00 2.83 2.94 0.00 0.00 6.67 7.46 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 35 Y 7.67 4.92 0.00 3.05 2.83 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 36 V 7.87 4.37 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.90 0.00 0.00 37 P 0.00 4.64 0.00 2.25 2.22 0.00 3.28 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 2.04 2.02 0.00 38 F 6.82 5.54 0.00 3.14 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 39 T 9.21 4.96 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 I 8.46 5.20 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 1.05 0.00 0.00 41 S 9.19 4.56 0.00 3.78 3.77 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 42 G 8.45 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 0.00 0.00 0.00 43 N 8.87 4.91 0.00 3.13 3.03 0.00 0.00 5.80 6.67 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 44 L 8.02 5.12 0.00 1.91 1.61 1.00 0.33 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 45 L 9.07 5.11 0.00 1.69 1.66 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 9.39 4.82 0.00 2.96 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 47 V 8.80 4.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 48 S 9.27 4.66 0.00 3.98 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 49 G 8.74 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 0.00 0.00 0.00 50 Q 9.21 4.93 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 51 L 8.37 5.13 0.00 1.52 1.63 1.07 1.16 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 52 P 0.00 4.40 0.00 2.14 2.39 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.99 0.00 *54 E 8.61 4.23 0.00 2.10 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 2.30 2.41 0.00 55 S 9.62 3.82 0.00 4.04 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 56 G 8.49 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 57 K 7.73 4.54 0.00 1.83 1.67 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.54 7.81 58 I 8.18 4.03 1.89 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 1.23 0.74 0.95 0.00 0.00 59 A 8.90 4.13 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 60 V 7.67 4.40 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 1.10 0.00 0.00 0.95 0.00 0.00 61 T 8.54 4.95 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 1.31 0.00 0.00 62 G 9.12 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 63 L 8.80 4.57 0.00 1.66 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.48 3.69 1.54 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 -0.29 0.00 0.00 0.84 0.00 0.00 65 G 8.92 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 0.00 0.00 0.00 66 R 7.47 4.38 0.00 1.72 1.86 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 67 D 8.59 4.68 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.25 4.42 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 0.84 0.00 0.00 0.82 0.00 0.00 69 D 8.16 4.94 0.00 2.93 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 70 V 8.14 3.55 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 1.11 0.00 0.00 1.17 0.00 0.00 71 A 7.86 4.26 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 72 S 8.79 4.08 0.00 4.00 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 73 A 8.18 4.00 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 74 Q 8.71 4.10 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 75 R 8.30 4.41 0.00 1.99 2.17 0.00 3.35 0.00 0.00 3.64 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 76 A 8.15 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.17 3.91 1.44 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 0.00 0.00 78 E 8.29 3.73 0.00 2.22 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 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2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.68 2.75 0.00 88 V 7.87 3.31 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 0.90 0.00 0.00 0.93 0.00 0.00 89 K 8.34 3.76 0.00 1.89 1.93 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.45 7.81 90 A 7.90 3.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.53 3.50 0.47 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 92 L 7.57 4.44 0.00 1.66 1.65 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.10 4.15 0.00 2.88 2.88 0.00 0.00 7.15 7.10 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 94 G 8.80 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 95 D 7.59 4.83 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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8.48 4.02 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 0.69 0.00 0.00 1.06 0.00 0.00 113 P 0.00 4.34 0.00 2.07 2.14 0.00 3.71 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 2.05 2.13 0.00 114 E 8.12 4.17 0.00 2.00 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 2.33 2.38 0.00 115 F 8.12 4.58 0.00 3.08 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 0.00 116 V 7.22 4.49 1.95 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 0.87 0.00 0.00 0.80 0.00 0.00 117 E 5.90 4.57 0.00 1.71 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 2.17 2.04 0.00 118 Q 7.97 4.27 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.64 2.77 0.00 119 H 8.33 4.30 0.00 3.35 3.53 0.00 5.46 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 0.00 120 L 7.35 3.96 0.00 1.76 1.76 0.94 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0.00 0.00 2.11 2.09 0.00 137 G 8.13 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 0.00 138 R 7.77 4.09 0.00 1.92 1.84 0.00 3.07 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 139 H 8.23 5.31 0.00 3.07 3.33 0.00 5.13 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.57 4.34 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 0.00 141 R 8.13 5.15 0.00 1.81 1.75 0.00 3.20 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 142 A 8.75 4.92 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 0.00 143 A 8.47 5.07 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 0.00 144 V 8.87 4.54 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 0.77 0.00 0.00 1.17 0.00 0.00 145 G 8.67 4.67 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 *147 A 8.47 4.47 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 0.00 148 S 7.27 4.60 0.00 3.91 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 0.00 149 L 7.56 4.80 0.00 1.90 1.57 1.09 1.02 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 0.00 150 P 0.00 4.13 0.00 2.37 1.98 0.00 3.86 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 2.15 2.09 0.00 151 F 8.74 3.60 0.00 3.25 3.19 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 0.00 152 N 8.30 4.20 0.00 3.02 2.90 0.00 0.00 7.09 8.51 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 0.00 153 A 7.93 4.55 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 0.00 154 S 8.70 4.59 0.00 3.82 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 0.00 155 V 7.59 5.05 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 0.84 0.00 0.00 0.96 0.00 0.00 156 E 9.50 5.12 0.00 2.15 1.95 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 2.46 2.52 0.00 157 I 9.18 5.37 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.63 0.83 0.00 0.00 158 D 8.64 5.35 0.00 3.13 3.01 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 0.00 159 A 8.44 5.06 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 0.00 160 I 8.59 4.68 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.48 0.48 0.00 0.00 161 V 8.61 4.68 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 0.83 0.00 0.00 0.86 0.00 0.00 162 E 9.29 4.92 0.00 2.03 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 0.00 2.28 2.25 0.00 163 I 8.61 5.05 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.87 0.00 0.00 164 D 8.92 4.60 0.00 2.59 2.57 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 * Residues marked with a * may have inaccurate shift predictions.