NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.2599 8.3027 120.2158 56.2582 31.7374 177.3038 16 R 3.5752 7.7285 118.3987 58.0623 29.9992 173.2338 17 E 4.7776 8.2954 117.9379 55.8393 31.3760 175.1168 18 G 4.2267 8.3575 104.1151 42.3750 0.0000 174.2188 19 I 3.6336 8.2509 124.3479 64.4743 37.9668 176.9962 20 L 3.9647 8.0023 119.3849 58.3078 42.1563 177.9514 21 F 4.2852 8.4456 119.0019 62.0438 39.3004 177.3276 22 T 3.8493 8.1703 113.9456 67.2657 68.0410 175.9923 23 T 4.1616 8.1972 115.4789 64.6403 68.4588 176.6206 24 L 3.9833 8.2384 122.7323 57.2897 42.0722 178.6745 25 E 3.8863 7.7045 116.3247 58.6002 29.3541 178.4638 26 K 4.1258 7.9426 119.4865 58.2770 32.3070 179.0833 27 L 3.9465 7.2201 120.1155 57.7296 41.6369 179.0991 28 V 3.5963 8.4254 118.4036 66.1361 31.3336 177.8602 29 A 4.0112 7.7672 120.1302 55.1459 18.1252 179.4408 30 W 4.1334 7.9824 124.9464 60.7870 30.8944 177.7212 31 G 3.8544 8.5210 106.7066 47.4630 0.0000 174.7303 32 R 4.7551 8.1573 118.6789 55.4138 29.8616 177.4561 33 S 3.9876 7.7659 114.7399 60.2192 62.5068 174.1694 34 N 4.8343 7.8993 114.8987 53.0725 40.3433 174.7834 35 S 4.6957 7.6126 112.7256 57.7914 63.6186 173.5797 36 L 4.8349 7.7815 120.7350 55.0357 41.6150 176.9039 37 W 5.3049 10.0622 135.0000 54.4784 31.4228 171.8319 38 P 4.5969 0.0000 0.0000 62.4674 31.8082 176.0750 39 A 4.4040 8.6346 125.6791 49.4159 19.7210 175.0331 40 T 4.0839 8.1874 114.7184 62.4787 68.4183 173.4910 41 F 4.8876 8.7293 127.4306 56.3546 38.9488 173.8388 42 G 3.5456 7.9880 107.5596 48.0313 0.0000 169.2963 43 L 4.3119 9.1233 121.4340 54.5225 43.6067 178.4838 44 A 4.6771 8.9264 135.0000 53.2487 20.3537 180.2178 45 C 3.4780 8.4090 106.5887 61.9891 30.5965 176.5683 46 C 4.1355 8.2731 117.9133 62.3770 27.3762 175.5137 47 A 3.9730 8.6651 122.9936 55.4069 18.1759 179.3438 48 I 3.9255 7.5164 117.2657 63.5995 37.1513 177.6055 49 E 4.2156 8.0805 118.4783 57.7360 30.1453 176.6662 50 M 4.2476 7.8123 118.1419 58.1670 32.6504 176.7608 51 M 4.6030 7.4448 115.7527 55.6869 31.7286 176.6325 52 A 4.6928 7.9182 120.5712 51.4263 21.1625 177.7076 53 S 4.6208 8.0793 109.8711 59.3607 64.5063 176.8587 54 T 4.0484 7.8486 116.9214 66.1731 68.3702 175.0789 55 D 4.5297 7.9992 118.6420 55.3032 41.3850 176.9213 56 A 4.4069 7.4097 120.5571 53.0787 20.9330 178.5137 57 R 3.9695 8.3269 109.8997 56.8606 28.3575 178.2040 *74 Q 4.1459 9.1043 109.6921 55.3086 30.5795 174.3372 75 A 5.1014 8.5801 124.6957 50.2840 22.3351 174.5217 76 D 4.9549 8.4657 120.5947 52.8079 42.2507 174.8321 77 V 4.4019 8.7179 118.6483 64.8908 28.7433 168.7839 78 M 5.0207 7.7647 119.3697 54.2096 33.3612 176.2512 79 I 4.7395 8.3726 124.2669 59.7890 39.4305 174.8470 80 V 4.3080 8.9978 129.0297 62.2509 32.5038 174.6230 81 A 4.8608 9.7564 131.1873 47.8866 19.1269 174.8969 82 G 4.5927 8.5513 107.7739 42.2128 0.0000 170.6155 83 R 3.9131 8.0998 117.4817 56.5447 29.8977 176.1979 84 L 4.4110 8.5550 126.9319 53.5359 42.9432 175.7818 85 S 4.6245 8.5118 121.5651 58.1146 63.3104 175.1384 86 K 4.0476 8.2788 123.1145 58.9981 31.7981 179.5346 87 K 4.0975 7.6761 119.2771 59.5763 32.4102 178.3236 88 M 4.2026 8.0283 117.2804 57.6178 32.2069 177.8171 89 A 3.9694 7.6294 121.8209 54.8665 18.5297 177.6783 90 P 4.2341 0.0000 0.0000 66.1443 30.9966 178.4104 91 V 3.6541 7.7735 117.6441 66.1255 31.6073 177.3895 92 M 3.8326 8.1304 117.6204 58.3343 31.8717 178.0762 93 R 3.8084 7.8660 119.0985 59.6424 30.2308 178.4878 94 R 4.1814 7.8052 119.0290 58.7408 29.9288 179.0391 95 V 3.5805 7.5501 116.8917 65.8956 31.4386 177.7365 96 W 4.1190 7.7980 126.3576 60.4215 30.4499 177.3629 97 E 3.9083 8.6079 118.6311 59.2824 29.7462 178.8194 98 Q 4.2381 7.9415 116.6394 55.9489 27.8849 174.3694 99 M 4.7126 7.0253 116.1814 52.3453 36.1632 172.8172 100 P 4.4205 0.0000 0.0000 62.8629 32.1249 174.2380 101 D 4.3073 8.3504 114.9358 55.6527 42.2336 175.2408 102 P 3.9163 0.0000 0.0000 62.6166 30.4321 175.4177 103 K 4.4587 6.8407 120.9728 54.8529 35.7937 175.5569 104 W 6.0186 8.6941 119.5412 54.2104 34.0845 173.9420 105 V 4.8938 8.8050 121.5213 61.3123 34.0586 174.0548 106 I 4.9449 8.6589 128.4556 59.5658 39.9562 174.4774 107 S 5.0888 8.6244 121.1515 56.8435 65.2924 172.5329 108 M 4.5750 9.2496 125.4549 54.6263 33.1615 176.7933 109 G 4.4441 9.0505 116.3259 43.7950 0.0000 173.5541 110 A 4.0022 8.6583 120.5779 55.6249 18.1798 180.0269 111 C 4.2534 8.1823 111.0231 62.7452 28.8103 175.4373 112 A 4.1689 8.1595 122.2729 55.2216 17.6711 178.8205 113 S 4.4038 7.6290 111.8908 61.0663 63.9697 177.0841 114 S 5.3437 7.6648 115.4912 56.1894 65.4054 174.8258 115 G 4.3161 8.1478 107.7778 45.7819 0.0000 175.6645 116 G 3.8469 7.6532 108.3387 45.4198 0.0000 174.4318 117 M 4.0970 8.2808 116.7487 56.4188 31.4671 177.0021 118 F 4.6370 7.1787 118.6219 56.0088 37.8653 173.4478 119 N 4.7388 7.8500 122.0089 51.5496 38.6677 173.0615 120 N 4.5880 7.8433 121.5282 52.1391 39.7630 175.0696 121 Y 4.2288 9.3307 115.5318 59.5133 37.9237 176.7861 122 A 4.2494 7.1176 121.2062 51.6379 19.9575 176.0963 123 I 4.6436 6.9362 115.1393 58.6741 40.2336 175.7322 124 V 3.6845 8.0368 124.8809 63.3750 31.4461 175.6483 125 Q 4.4139 8.6614 124.6115 54.8889 29.0852 174.5018 126 N 5.3587 7.5958 122.2642 53.0400 41.3918 175.2834 127 V 3.8274 8.0524 127.0410 65.4270 31.7084 176.9377 128 D 5.2732 8.5999 117.7379 55.8094 41.0917 177.1790 129 S 4.2911 8.4383 114.7081 61.2444 63.0439 175.3837 130 V 4.1952 7.4661 111.2647 61.6404 33.9973 176.3597 131 V 3.5688 7.7553 112.0022 58.1953 35.1759 172.5881 132 P 4.4307 0.0000 0.0000 62.8027 30.9547 176.1136 133 V 3.7500 8.4521 124.5956 62.4429 32.2506 175.4728 134 D 4.6782 8.9997 127.5719 56.3574 42.2642 176.7043 135 V 4.7714 7.5537 116.6735 61.1239 35.3562 173.5362 136 Y 5.2094 8.8093 123.6182 56.0778 40.7075 175.4267 137 V 4.5122 8.6838 124.1147 58.9502 33.3923 173.4323 138 P 4.6116 0.0000 0.0000 62.6560 32.0817 175.0523 139 G 4.2578 7.7948 107.7601 44.4508 0.0000 172.2853 140 C 5.1348 7.7740 121.8061 57.2212 31.9922 171.3544 141 P 4.7662 0.0000 0.0000 59.7784 33.2210 174.5398 142 P 4.3884 0.0000 0.0000 61.9799 32.0271 176.1646 143 R 3.9848 8.5755 121.3842 56.1039 30.8352 175.2937 144 P 4.2939 0.0000 0.0000 65.6951 31.1515 178.5852 145 E 4.1624 8.1950 115.4267 58.0352 29.4383 178.3587 146 A 4.0903 7.6611 121.4979 54.1238 18.7838 179.0946 147 L 4.0809 7.7772 118.8024 57.7083 42.1353 179.3570 148 I 3.7394 7.7097 119.7954 64.6867 37.2093 177.3275 149 Y 4.0291 7.6921 119.7373 60.7131 38.3523 178.1388 150 A 4.0657 8.0841 121.7602 54.9561 18.4095 179.6124 151 V 3.7825 7.4675 109.0048 63.6221 31.9582 178.5606 152 M 3.8937 7.8066 118.4646 57.9254 31.6644 178.2804 153 Q 3.7062 7.5091 119.8812 58.9154 29.2523 177.7438 154 L 3.9151 7.6647 121.0183 57.7612 41.8771 178.5162 155 Q 3.6991 7.9885 120.3913 58.8083 29.1722 177.3211 156 K 3.9389 8.0375 119.4302 57.9127 32.1472 178.0535 157 K 4.0382 7.4961 118.7159 59.0964 32.4088 178.3907 158 V 3.7441 7.0791 111.2967 63.4753 31.6410 177.4332 159 R 4.0116 7.4887 117.9287 56.6821 30.0273 176.6150 160 G 3.8046 8.0624 106.1825 47.1483 0.0000 173.8273 161 Q 4.4152 7.9114 117.3171 54.9732 29.8139 174.5079 162 A 4.6468 7.4360 117.8482 49.8394 21.8830 175.6142 163 Y 5.7446 8.6461 118.3645 55.0090 41.6983 175.6812 164 N 4.8186 8.4489 119.2820 52.2021 39.1989 175.2181 165 E 4.2113 8.5916 116.1423 58.4854 29.7751 178.4028 166 R 4.0472 7.8850 117.4381 57.4151 30.3359 177.1985 167 G 3.9894 7.7204 103.6785 45.2698 0.0000 174.0458 168 E 4.2887 8.4150 120.4800 55.8386 30.3294 175.8385 169 R 4.3377 8.7175 123.6450 56.3937 30.9608 175.2826 170 L 4.8256 8.5461 126.8408 52.1151 43.4928 174.6701 171 P 4.2556 0.0000 0.0000 62.6743 31.1000 174.2433 172 P 4.6458 0.0000 0.0000 64.9520 31.5433 176.6233 173 V 4.3429 7.6461 115.1468 60.9439 33.7555 175.9113 174 A 4.3888 8.1178 130.8376 50.2385 16.9615 177.4666 175 A 4.2008 7.4963 125.3020 51.9357 19.1206 176.7078 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 15 E 8.30 4.26 0.00 1.84 1.77 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 2.22 2.23 0.00 16 R 7.73 3.58 0.00 1.75 2.03 0.00 3.46 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.74 0.00 17 E 8.30 4.78 0.00 1.97 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 2.23 2.38 0.00 18 G 8.36 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.25 3.63 1.89 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 1.53 1.57 0.92 0.00 0.00 20 L 8.00 3.96 0.00 1.70 1.69 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.45 4.29 0.00 3.09 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 22 T 8.17 3.85 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 1.19 0.00 0.00 23 T 8.20 4.16 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 1.17 0.00 0.00 24 L 8.24 3.98 0.00 1.83 1.62 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.70 3.89 0.00 2.00 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 2.23 0.00 26 K 7.94 4.13 0.00 1.81 1.89 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.66 7.81 27 L 7.22 3.95 0.00 2.15 1.69 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.43 3.60 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 1.12 0.00 0.00 0.96 0.00 0.00 29 A 7.77 4.01 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 0.00 0.00 0.00 0.00 0.00 30 W 7.98 4.13 0.00 3.53 3.29 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 31 G 8.52 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 32 R 8.16 4.76 0.00 2.07 2.11 0.00 3.31 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 33 S 7.77 3.99 0.00 3.60 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 34 N 7.90 4.83 0.00 2.62 2.70 0.00 0.00 6.90 7.73 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 35 S 7.61 4.70 0.00 3.96 4.04 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 0.00 0.00 0.00 36 L 7.78 4.83 0.00 1.61 1.62 0.67 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 37 W 10.06 5.30 0.00 3.23 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 38 P 0.00 4.60 0.00 1.80 1.91 0.00 3.55 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 39 A 8.63 4.40 1.15 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 40 T 8.19 4.08 4.21 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 1.14 0.00 0.00 41 F 8.73 4.89 0.00 3.11 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 42 G 7.99 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 0.00 0.00 0.00 43 L 9.12 4.31 0.00 1.49 1.44 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.93 4.68 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 45 C 8.41 3.48 0.00 3.14 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 46 C 8.27 4.14 0.00 3.07 3.04 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 0.00 0.00 0.00 47 A 8.67 3.97 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 48 I 7.52 3.93 1.86 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 1.39 1.11 0.90 0.00 0.00 49 E 8.08 4.22 0.00 1.91 1.97 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 2.37 2.36 0.00 50 M 7.81 4.25 0.00 2.02 2.03 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 2.56 2.49 0.00 51 M 7.44 4.60 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.46 0.00 52 A 7.92 4.69 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 S 8.08 4.62 0.00 4.01 4.11 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 54 T 7.85 4.05 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 1.17 0.00 0.00 55 D 8.00 4.53 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.41 4.41 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 57 R 8.33 3.97 0.00 1.93 1.73 0.00 3.20 0.00 0.00 3.29 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 *74 Q 9.10 4.15 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 75 A 8.58 5.10 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 76 D 8.47 4.95 0.00 3.18 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.72 4.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.13 0.00 0.00 78 M 7.76 5.02 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 79 I 8.37 4.74 1.89 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 1.25 0.64 0.93 0.00 0.00 80 V 9.00 4.31 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 0.91 0.00 0.00 0.90 0.00 0.00 81 A 9.76 4.86 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.55 4.59 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 83 R 8.10 3.91 0.00 1.73 1.96 0.00 3.02 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 84 L 8.55 4.41 0.00 1.76 1.63 0.93 0.86 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 85 S 8.51 4.62 0.00 3.88 3.68 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 86 K 8.28 4.05 0.00 1.71 1.85 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 87 K 7.68 4.10 0.00 1.74 1.82 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 88 M 8.03 4.20 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 89 A 7.63 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 90 P 0.00 4.23 0.00 2.28 2.34 0.00 3.81 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 2.20 2.04 0.00 91 V 7.77 3.65 2.40 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 1.16 0.00 0.00 0.98 0.00 0.00 92 M 8.13 3.83 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.20 0.00 93 R 7.87 3.81 0.00 2.07 2.13 0.00 3.24 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 94 R 7.81 4.18 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 95 V 7.55 3.58 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 1.04 0.00 0.00 96 W 7.80 4.12 0.00 3.24 3.38 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 0.00 97 E 8.61 3.91 0.00 2.26 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 2.66 2.97 0.00 98 Q 7.94 4.24 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 99 M 7.03 4.71 0.00 1.56 1.82 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 2.37 2.52 0.00 100 P 0.00 4.42 0.00 2.15 2.06 0.00 3.75 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 1.91 1.96 0.00 101 D 8.35 4.31 0.00 2.51 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 0.00 102 P 0.00 3.92 0.00 2.04 1.94 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 103 K 6.84 4.46 0.00 1.48 1.41 0.00 0.89 0.00 0.00 1.52 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.13 7.81 104 W 8.69 6.02 0.00 3.28 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 0.00 105 V 8.81 4.89 2.26 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 1.04 0.00 0.00 1.19 0.00 0.00 106 I 8.66 4.94 1.88 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 1.29 0.51 0.92 0.00 0.00 107 S 8.62 5.09 0.00 3.90 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 0.00 108 M 9.25 4.57 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 109 G 9.05 4.44 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 0.00 110 A 8.66 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 0.00 111 C 8.18 4.25 0.00 3.09 3.10 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 0.00 112 A 8.16 4.17 1.38 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 0.00 0.00 0.00 113 S 7.63 4.40 0.00 4.00 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 0.00 114 S 7.66 5.34 0.00 4.02 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 0.00 115 G 8.15 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.65 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 0.00 117 M 8.28 4.10 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.00 118 F 7.18 4.64 0.00 3.28 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 0.00 119 N 7.85 4.74 0.00 2.66 2.76 0.00 0.00 7.13 7.79 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 0.00 120 N 7.84 4.59 0.00 3.12 3.01 0.00 0.00 5.88 7.57 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 0.00 121 Y 9.33 4.23 0.00 3.16 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 0.00 122 A 7.12 4.25 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.94 4.64 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.93 0.00 0.00 124 V 8.04 3.68 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 0.75 0.00 0.00 0.92 0.00 0.00 125 Q 8.66 4.41 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 126 N 7.60 5.36 0.00 2.79 2.74 0.00 0.00 7.31 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.05 3.83 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 0.87 0.00 0.00 1.01 0.00 0.00 128 D 8.60 5.27 0.00 2.73 2.82 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 0.00 129 S 8.44 4.29 0.00 3.87 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 0.00 130 V 7.47 4.20 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 0.68 0.00 0.00 0.82 0.00 0.00 131 V 7.76 3.57 0.83 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 0.22 0.00 0.00 0.64 0.00 0.00 132 P 0.00 4.43 0.00 2.11 2.07 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 133 V 8.45 3.75 1.51 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 -0.10 0.00 0.00 0.82 0.00 0.00 134 D 9.00 4.68 0.00 2.96 2.81 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 0.00 135 V 7.55 4.77 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 1.10 0.00 0.00 0.94 0.00 0.00 136 Y 8.81 5.21 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 0.00 137 V 8.68 4.51 2.16 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 0.94 0.00 0.00 1.00 0.00 0.00 138 P 0.00 4.61 0.00 2.10 2.11 0.00 3.86 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 2.01 2.00 0.00 139 G 7.79 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 0.00 0.00 0.00 0.00 140 C 7.77 5.13 0.00 2.89 2.79 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 0.00 141 P 0.00 4.77 0.00 2.23 2.06 0.00 3.83 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 1.94 1.95 0.00 142 P 0.00 4.39 0.00 2.22 2.31 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 143 R 8.58 3.98 0.00 1.85 1.88 0.00 3.17 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 144 P 0.00 4.29 0.00 2.20 2.08 0.00 3.65 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 2.11 2.17 0.00 145 E 8.19 4.16 0.00 2.06 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 2.40 2.44 0.00 146 A 7.66 4.09 1.34 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 0.00 0.00 0.00 147 L 7.78 4.08 0.00 1.67 1.86 0.93 1.00 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 0.00 148 I 7.71 3.74 2.10 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 1.54 0.73 0.95 0.00 0.00 149 Y 7.69 4.03 0.00 3.05 3.18 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 0.00 150 A 8.08 4.07 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 0.00 151 V 7.47 3.78 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 0.94 0.00 0.00 152 M 7.81 3.89 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.45 0.00 153 Q 7.51 3.71 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 154 L 7.66 3.92 0.00 1.66 1.51 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 7.99 3.70 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 156 K 8.04 3.94 0.00 1.70 1.84 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.52 7.81 157 K 7.50 4.04 0.00 1.92 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 158 V 7.08 3.74 1.87 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 -0.60 0.00 0.00 0.62 0.00 0.00 159 R 7.49 4.01 0.00 1.66 1.99 0.00 3.05 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 160 G 8.06 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 0.00 161 Q 7.91 4.42 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 162 A 7.44 4.65 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 0.00 163 Y 8.65 5.74 0.00 2.84 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 0.00 164 N 8.45 4.82 0.00 3.00 3.05 0.00 0.00 6.05 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.59 4.21 0.00 2.01 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 2.34 2.29 0.00 166 R 7.89 4.05 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 167 G 7.72 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 0.00 168 E 8.41 4.29 0.00 2.13 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 2.44 2.47 0.00 169 R 8.72 4.34 0.00 2.02 1.91 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.31 0.00 170 L 8.55 4.83 0.00 1.60 1.58 0.99 1.11 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 0.00 171 P 0.00 4.26 0.00 2.11 2.11 0.00 3.82 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 2.03 2.04 0.00 172 P 0.00 4.65 0.00 2.25 2.33 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 173 V 7.65 4.34 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 0.52 0.00 0.00 0.28 0.00 0.00 174 A 8.12 4.39 1.34 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 0.00 0.00 0.00 175 A 7.50 4.20 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 * Residues marked with a * may have inaccurate shift predictions.