NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.4396 8.1185 122.4692 51.3626 20.8367 175.5596 15B A 4.2658 8.4307 121.3677 51.6884 19.0880 175.7558 16 I 4.0542 9.7589 125.8897 60.7842 38.3090 174.0934 17 I 4.6328 8.0902 127.6139 58.8811 40.4666 175.7965 18 G 3.5326 8.3097 114.9181 47.3193 0.0000 174.5635 19 G 4.6876 9.2437 112.4740 46.3992 0.0000 172.8153 *31 N 5.0594 8.0108 115.9910 52.3298 40.2817 172.2962 32 P 4.9250 0.0000 0.0000 63.1121 32.6022 174.8685 33 Y 5.1091 8.3303 118.1914 54.6414 41.8035 173.4332 34 Y 5.3982 8.4309 117.0117 56.5516 42.0647 175.3934 35 F 4.7525 8.8593 115.9282 56.0143 41.2593 174.4738 36 G 3.8012 9.0692 113.9305 46.9343 0.0000 174.4275 *39 N 4.4637 8.7455 121.6679 52.5354 40.2011 172.3510 40 Y 4.8163 7.4899 114.3608 56.6372 41.9106 174.3144 41 R 4.8399 8.2323 119.9412 54.9352 33.6628 174.7082 42 C 5.0287 8.2574 122.1173 55.2900 43.4665 172.3789 43 S 5.2977 9.0566 115.3554 56.6351 65.2931 174.5184 44 I 2.9875 8.9309 125.6703 63.0751 37.1655 175.1500 44A G 3.7420 9.4292 115.3918 48.2882 0.0000 173.2747 45 F 5.1970 8.5784 115.0212 54.8226 44.4535 175.0715 46 S 4.8917 9.0698 118.6786 59.6783 63.9869 173.7992 47 V 4.9992 9.2303 116.0195 59.9045 36.4980 174.4256 48 R 5.0938 8.9498 120.4355 54.5857 34.1728 175.2483 48A Q 4.4291 8.7866 122.6650 54.4023 31.7240 177.2901 48B G 3.9018 8.5674 119.0193 46.8601 0.0000 174.8759 48C S 4.3928 9.2044 122.0396 59.5852 64.0101 175.1726 49 Q 4.4179 8.1980 120.8689 54.7476 28.8978 180.3211 50 T 5.2858 8.1647 107.6783 60.2121 72.6260 173.8391 51 G 4.4518 8.1257 107.8752 46.3242 0.0000 171.7450 52 F 5.6081 7.8121 114.0184 55.1141 41.7302 174.4834 53 A 4.8022 9.4425 123.6752 53.1495 20.0779 176.4875 54 T 5.0264 8.7197 113.2339 61.5364 71.7606 172.2033 55 A 4.7247 8.6909 124.9304 51.3850 19.5685 178.8868 56 G 3.8220 8.8848 111.1998 48.9037 0.0000 175.2883 57 H 3.7749 8.1123 114.3314 57.1722 28.5333 175.9933 58 C 4.3636 7.6934 117.3225 57.8899 40.2241 174.1340 59 G 4.1893 6.6412 112.7074 45.1326 0.0000 172.7374 59A S 4.7814 7.5255 116.6516 56.1370 64.5056 173.5847 59B T 4.0436 8.2254 117.4336 65.6833 68.6365 174.8384 60 G 3.9171 9.2808 115.2893 45.0418 0.0000 173.2739 61 T 4.2004 7.8243 120.1686 64.5043 69.5738 174.5893 62 R 4.4187 8.5660 126.9130 56.8883 30.7878 172.9326 59A V 4.4314 7.2455 120.1516 60.0370 33.6056 175.2847 59B S 4.1636 8.3854 119.5336 62.1833 62.6365 174.7384 60 S 4.4271 9.2608 122.1893 58.2418 62.5785 172.9739 61 P 4.2704 0.0000 0.0000 66.0043 31.8738 177.1893 62 S 4.5487 8.6460 122.1130 59.1883 63.6878 171.2326 *85 G 3.6665 8.3321 111.3279 46.0723 0.0000 171.0800 *87 T 4.8793 8.0279 114.0906 63.0706 70.2734 174.0852 88 V 3.5552 8.4745 124.7674 63.2016 31.2206 175.3893 88A A 3.8806 7.8009 131.3814 53.7957 19.2178 177.4710 89 G 4.0834 6.8957 100.5795 45.4304 0.0000 172.6499 90 S 5.1035 8.6397 116.3406 57.4018 65.7144 172.9176 91 Y 4.4466 9.8461 129.6805 55.8513 40.5405 174.1171 *94 F 5.5361 8.7412 127.8727 57.4545 40.9348 174.0330 95 P 3.6957 0.0000 0.0000 62.1898 32.4681 175.7132 *100 G 4.0435 8.2443 102.7895 45.3351 0.0000 173.6440 101 R 4.6293 7.2848 117.8864 53.7979 33.6360 175.0153 102 D 5.3792 8.2938 114.0895 53.4931 41.4353 174.2015 103 M 5.1119 8.9280 119.0885 53.8251 35.6212 176.0992 104 G 4.4010 8.9390 106.5719 45.7368 0.0000 171.6776 105 W 5.5599 8.5543 116.3151 54.8456 32.1501 173.7773 106 V 3.9434 8.0168 121.6995 60.7948 33.0272 174.3497 107 R 4.5163 7.8773 129.3648 55.6644 31.2295 176.0139 108 I 4.5362 8.2085 120.8764 60.0228 40.5754 174.0663 109 T 4.6281 8.0197 111.9351 59.4323 71.0343 175.0228 110 S 4.2129 8.5342 114.8127 60.7337 62.9355 175.2077 111 A 4.1917 7.6792 123.1244 53.9952 18.2760 176.4957 112 D 5.2956 7.8216 113.7547 52.7686 45.4229 175.2569 113 T 4.7191 8.6948 116.1750 61.7024 72.3231 174.2852 114 V 4.0511 8.4213 119.6725 61.7045 32.8671 175.4295 *119 T 4.7212 8.5589 113.6682 60.6523 70.3526 170.8799 120 P 4.9602 0.0000 0.0000 63.7935 32.4460 175.0765 120A L 5.2405 7.8954 119.0816 54.1237 44.8966 175.9467 120B V 4.8389 8.5374 121.3990 60.8859 34.9534 174.0894 120C N 4.5557 9.1929 127.0760 53.6080 38.6704 174.9069 120D R 3.4865 8.8586 126.1768 56.3067 30.3947 176.4890 120E Y 3.6946 8.2538 114.7977 59.3545 35.7781 170.0154 120F N 4.8996 7.7253 114.6448 52.8176 37.7125 175.0784 120G G 4.0326 8.7859 108.1362 45.6184 0.0000 173.6156 120H G 4.3204 7.9122 106.3153 44.9639 0.0000 171.4977 120I T 5.1868 8.3169 108.6277 59.9433 72.5379 173.2083 120J V 4.3984 8.6237 121.9017 61.4020 34.3848 174.2920 120K T 4.8039 8.4103 123.9773 62.5187 69.8368 174.3895 121 V 4.2787 9.0943 127.9758 62.8740 32.3182 176.1453 122 T 4.5923 8.9032 117.6831 61.0858 70.2412 174.1998 123 G 3.9565 7.0038 109.7008 46.2547 0.0000 172.3226 124 S 5.1477 8.0987 111.0128 56.3542 63.2537 174.3430 125 Q 3.7840 8.6880 123.3065 57.2257 29.1951 174.2721 120I E 5.1868 8.5869 115.2277 54.7433 32.6379 175.1083 120J A 4.5984 8.8337 126.5017 51.7020 20.5848 175.7920 120K A 4.7739 8.5003 134.1773 53.2187 19.1368 177.4895 121 T 4.5087 9.2143 122.3758 62.4740 69.2182 174.5453 122 G 4.2023 9.0832 112.8831 44.3858 0.0000 174.3998 123 S 4.4665 6.9838 116.6008 59.4547 66.4847 172.0226 124 S 5.1477 8.0987 111.0128 56.3542 63.2537 174.3430 125 V 3.5640 8.3980 122.7065 63.7257 32.6951 174.5721 137 C 4.9091 9.2300 119.4822 54.9518 45.4927 173.1949 138 R 4.2616 7.8415 117.5371 53.9448 32.3636 174.1945 139 S 5.1301 8.0281 114.8407 56.7674 64.9729 172.9966 140 G 4.1489 8.6299 111.7865 45.1761 0.0000 174.0751 141 A 4.3421 8.8167 123.5308 54.2480 18.8651 179.5277 142 T 4.1564 8.4207 113.0887 65.6791 68.7964 176.4984 143 T 4.4004 7.3582 105.5444 61.6840 70.6662 173.9007 *156 G 3.1491 7.2854 108.9267 45.8984 0.0000 173.9633 157 W 5.3781 8.9124 135.0000 55.7396 31.9266 174.9174 158 R 4.6626 8.3628 125.4612 54.6437 33.9676 173.6486 159 C 5.4985 8.2682 118.8526 55.6443 44.0796 173.8426 160 G 3.9980 7.7136 104.5112 46.8565 0.0000 172.4959 161 T 5.0611 8.3688 117.1428 61.6241 72.5769 173.7512 162 I 4.1419 8.4923 126.1649 61.7668 37.1427 175.4292 163 Q 4.5043 8.9783 127.2268 57.5097 30.2679 176.7098 164 S 4.5692 7.5575 111.0002 57.3952 66.0506 174.7305 165 K 4.4775 8.6076 122.3207 55.0665 34.6887 174.7725 166 N 4.0727 8.2088 114.7926 54.9095 37.3175 173.1807 167 Q 4.7331 8.2747 115.4520 54.9284 31.3645 175.7330 168 T 4.8425 8.2258 118.7231 61.8306 70.6360 174.0121 169 V 3.8463 8.3231 126.2202 60.8170 34.2538 175.7249 170 R 4.1362 8.0778 128.4268 54.6949 28.6822 175.6999 171 Y 4.2995 7.2124 118.6329 58.0627 39.0570 177.1781 *173 A 4.3416 8.3279 123.9974 52.3983 20.4251 177.9829 174 E 4.1660 8.5151 113.0815 57.3681 30.0487 176.0379 175 G 4.3283 7.0064 104.6511 43.0395 0.0000 172.8816 176 T 4.3041 7.7826 117.6339 63.0978 69.4240 174.6944 177 V 4.6438 8.6748 125.9100 61.2790 34.5544 174.6460 178 T 4.5149 8.7435 117.8083 60.4072 71.5595 174.4516 179 G 4.1522 8.6216 107.2172 45.5667 0.0000 173.5572 180 L 4.5022 7.7593 119.6524 54.2256 43.6611 175.7864 181 T 4.6031 8.0236 118.5477 61.7838 70.4565 173.8548 182 R 3.9317 8.7321 128.3794 55.7034 31.6598 175.2508 183 T 5.1864 8.3616 115.5798 60.0722 72.7442 174.1026 184 T 4.4041 8.5508 110.6746 61.8757 69.4764 175.2355 185 A 4.1542 8.1510 126.6398 52.3906 19.0922 174.5022 *189 C 4.8477 8.5528 113.2595 55.7927 41.2666 172.5947 190 A 4.7046 7.7835 121.0318 51.5665 21.7517 174.8522 191 E 4.8413 9.3495 118.6395 54.0088 33.8441 175.7294 192 G 3.8613 8.4814 109.0375 47.5837 0.0000 173.2734 193 G 4.2693 8.8589 110.1470 46.1859 0.0000 174.3760 194 D 4.4919 8.2594 118.3713 55.6893 41.5047 176.7785 195 S 4.4346 7.7931 116.5494 59.9069 63.1204 174.9857 196 G 4.3266 8.7545 112.8994 46.4089 0.0000 173.9371 197 G 3.9533 8.0181 106.4654 44.8145 0.0000 171.5656 198 P 4.8913 0.0000 0.0000 61.9492 33.3436 174.8708 199 W 4.9990 9.0542 120.6355 54.8784 32.3082 174.6293 200 L 5.3654 9.1478 123.7383 53.2960 45.5792 175.6929 201 T 4.6400 8.8910 120.0894 61.1838 70.5774 175.1965 201A G 3.6610 8.8227 118.7463 47.1255 0.0000 174.0484 *207 S 4.8337 8.6634 118.6416 57.6158 65.0393 171.8782 208 Q 4.7893 8.1034 120.6782 54.2359 30.2333 175.0299 209 A 4.4982 8.8719 126.7295 52.6865 18.5772 176.5541 210 Q 4.3714 9.5608 121.0554 56.2308 32.0941 175.8239 211 G 4.0928 7.0979 103.4514 46.4583 0.0000 171.9951 212 V 5.5058 8.1698 112.1462 59.4934 35.6959 175.9795 213 T 4.6367 9.1983 121.2842 64.4827 68.7218 174.7859 214 S 4.5761 9.2741 121.8275 59.0757 64.3544 173.8578 215 G 4.2892 7.1962 105.4150 45.7334 0.0000 171.1275 216 G 4.0314 7.8417 104.6893 46.1263 0.0000 171.3306 217 T 4.6814 7.9379 112.6668 61.2914 71.1214 175.1811 218 G 4.1225 10.4689 111.8190 45.0088 0.0000 170.6530 219 D 4.7913 8.0511 117.9813 53.9486 42.2101 174.9391 219A C 4.6011 9.1082 115.7521 57.6807 40.7035 175.4146 220 R 4.0210 8.2265 120.2340 58.9641 29.8349 177.1090 222 S 4.4886 8.9772 110.7348 57.7514 64.3959 174.3379 223 G 3.9310 8.6258 106.8170 44.6921 0.0000 172.7250 224 G 4.6752 7.4634 103.1531 45.7218 0.0000 172.2879 225 I 4.9518 7.6501 111.9344 59.4212 41.5664 174.5159 226 T 5.2237 8.3869 112.1282 60.3470 72.5091 172.4467 227 F 5.1909 9.6081 123.2690 55.6877 41.7616 174.6177 228 F 5.3398 8.2960 117.7057 54.8863 41.1278 174.1485 229 Q 4.5716 9.1648 123.1358 54.8350 29.3358 173.3626 230 P 4.9847 0.0000 0.0000 63.4038 32.2406 177.5964 231 I 4.1102 8.7306 123.2644 64.1311 37.9443 178.2270 232 N 4.3238 8.1282 116.9931 55.9318 38.3960 175.3810 233 P 4.2703 0.0000 0.0000 65.3131 31.4802 178.4846 234 L 4.0551 7.5407 119.7132 58.2379 42.0770 179.0239 235 L 4.0430 8.1641 119.0881 57.7233 41.4776 179.5143 236 S 4.0236 8.2470 113.1072 61.5371 62.1798 175.5016 237 Y 3.7880 7.9116 120.9375 60.3525 38.5990 177.2734 238 F 4.8276 7.8765 114.8938 56.2085 40.1950 175.6070 239 G 3.8650 7.6305 106.2967 46.8565 0.0000 173.5523 240 L 4.7202 8.0988 117.1334 52.7703 44.8284 177.5426 241 Q 4.6079 8.5973 121.0920 53.7549 31.2399 174.9801 242 L 4.3049 8.4332 126.4901 54.9979 43.0400 176.2535 243 V 4.0813 8.3362 127.2591 62.7852 31.8185 175.1697 244 T 4.9386 8.6323 117.4352 59.7911 72.1888 174.2902 245 G 3.7225 8.6185 109.9406 45.8983 0.0000 172.5452 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 A 8.12 4.44 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 15B A 8.43 4.27 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 9.76 4.05 1.91 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 1.35 0.97 0.85 0.00 0.00 17 I 8.09 4.63 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.88 0.00 0.00 18 G 8.31 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.24 4.69 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 *31 N 8.01 5.06 0.00 2.77 2.75 0.00 0.00 7.38 8.03 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 32 P 0.00 4.92 0.00 1.63 1.98 0.00 3.73 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 2.01 2.05 0.00 33 Y 8.33 5.11 0.00 3.06 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 34 Y 8.43 5.40 0.00 2.91 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 35 F 8.86 4.75 0.00 3.28 3.33 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 36 G 9.07 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 *39 N 8.75 4.46 0.00 2.35 1.83 0.00 0.00 7.14 7.54 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 40 Y 7.49 4.82 0.00 1.72 2.24 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 41 R 8.23 4.84 0.00 1.91 1.69 0.00 3.25 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 42 C 8.26 5.03 0.00 2.25 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 43 S 9.06 5.30 0.00 3.92 3.74 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 0.00 0.00 0.00 44 I 8.93 2.99 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.40 0.44 0.00 0.00 44A G 9.43 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.58 5.20 0.00 3.07 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 46 S 9.07 4.89 0.00 4.00 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 47 V 9.23 5.00 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 0.88 0.00 0.00 0.90 0.00 0.00 48 R 8.95 5.09 0.00 1.65 1.75 0.00 3.06 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 48A Q 8.79 4.43 0.00 1.52 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.82 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 48B G 8.57 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 0.00 0.00 0.00 48C S 9.20 4.39 0.00 4.01 4.01 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 49 Q 8.20 4.42 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 50 T 8.16 5.29 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 1.26 0.00 0.00 51 G 8.13 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.81 5.61 0.00 3.19 3.11 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 53 A 9.44 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.72 5.03 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 55 A 8.69 4.72 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 56 G 8.88 3.82 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 0.00 57 H 8.11 3.77 0.00 1.93 1.31 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.69 4.36 0.00 3.06 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 59 G 6.64 4.19 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 0.00 59A S 7.53 4.78 0.00 4.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59B T 8.23 4.04 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 1.22 0.00 0.00 60 G 9.28 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 0.00 0.00 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0.00 0.00 0.00 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 88 V 8.47 3.56 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 0.65 0.00 0.00 0.73 0.00 0.00 88A A 7.80 3.88 -0.23 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 89 G 6.90 4.08 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 0.00 90 S 8.64 5.10 0.00 3.87 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 91 Y 9.85 4.45 0.00 2.95 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 F 8.74 5.54 0.00 3.24 3.11 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 95 P 0.00 3.70 0.00 2.17 1.37 0.00 3.58 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 *100 G 8.24 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 6.81 6.70 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 0.00 167 Q 8.27 4.73 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 168 T 8.23 4.84 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 1.08 0.00 0.00 169 V 8.32 3.85 0.95 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 0.20 0.00 0.00 -0.44 0.00 0.00 170 R 8.08 4.14 0.00 1.76 1.81 0.00 3.22 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 171 Y 7.21 4.30 0.00 3.33 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 *173 A 8.33 4.34 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.52 4.17 0.00 2.23 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 0.00 2.55 2.48 0.00 175 G 7.01 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 0.00 0.00 0.00 0.00 176 T 7.78 4.30 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 1.10 0.00 0.00 177 V 8.67 4.64 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 1.17 0.00 0.00 1.31 0.00 0.00 178 T 8.74 4.51 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 179 G 8.62 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 0.00 0.00 0.00 0.00 180 L 7.76 4.50 0.00 1.67 1.64 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 181 T 8.02 4.60 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 0.61 0.00 0.00 182 R 8.73 3.93 0.00 1.75 1.61 0.00 2.88 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.00 183 T 8.36 5.19 4.48 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 0.99 0.00 0.00 184 T 8.55 4.40 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 1.20 0.00 0.00 185 A 8.15 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *189 C 8.55 4.85 0.00 3.16 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 A 7.78 4.70 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 0.00 191 E 9.35 4.84 0.00 1.93 1.79 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 2.21 2.22 0.00 192 G 8.48 3.86 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 0.00 0.00 0.00 193 G 8.86 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 0.00 0.00 0.00 0.00 194 D 8.26 4.49 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 7.79 4.43 0.00 3.92 3.86 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 0.00 196 G 8.75 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 0.00 0.00 0.00 0.00 197 G 8.02 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 0.00 198 P 0.00 4.89 0.00 1.51 0.99 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.61 0.00 199 W 9.05 5.00 0.00 2.99 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 0.00 200 L 9.15 5.37 0.00 1.62 1.85 1.23 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 201 T 8.89 4.64 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 1.34 0.00 0.00 201A G 8.82 3.66 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 0.00 *207 S 8.66 4.83 0.00 4.07 4.06 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 0.00 208 Q 8.10 4.79 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 209 A 8.87 4.50 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 9.56 4.37 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 211 G 7.10 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 V 8.17 5.51 2.33 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 1.07 0.00 0.00 1.22 0.00 0.00 213 T 9.20 4.64 4.65 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 1.51 0.00 0.00 214 S 9.27 4.58 0.00 4.06 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 0.00 215 G 7.20 4.29 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 0.00 216 G 7.84 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 T 7.94 4.68 4.35 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 1.28 0.00 0.00 218 G 10.47 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 0.00 219 D 8.05 4.79 0.00 3.10 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 219A C 9.11 4.60 0.00 3.07 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 0.00 220 R 8.23 4.02 0.00 1.77 2.06 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 222 S 8.98 4.49 0.00 3.83 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 0.00 223 G 8.63 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 G 7.46 4.68 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 0.00 0.00 0.00 225 I 7.65 4.95 1.76 0.00 0.00 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 1.41 0.86 0.86 0.00 0.00 226 T 8.39 5.22 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 227 F 9.61 5.19 0.00 3.13 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 0.00 228 F 8.30 5.34 0.00 2.65 1.79 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 0.00 229 Q 9.16 4.57 0.00 2.36 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 230 P 0.00 4.98 0.00 2.18 2.10 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 231 I 8.73 4.11 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.16 0.86 0.00 0.00 232 N 8.13 4.32 0.00 2.78 2.85 0.00 0.00 7.15 8.03 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 0.00 233 P 0.00 4.27 0.00 2.15 2.08 0.00 3.74 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 2.12 2.15 0.00 234 L 7.54 4.06 0.00 2.06 2.02 1.26 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 235 L 8.16 4.04 0.00 1.72 1.86 0.90 0.62 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 0.00 236 S 8.25 4.02 0.00 3.89 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 0.00 237 Y 7.91 3.79 0.00 2.85 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 0.00 238 F 7.88 4.83 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 0.00 239 G 7.63 3.86 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 0.00 0.00 0.00 240 L 8.10 4.72 0.00 1.35 1.31 0.53 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 241 Q 8.60 4.61 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 242 L 8.43 4.30 0.00 1.55 1.50 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 243 V 8.34 4.08 2.24 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 0.82 0.00 0.00 0.96 0.00 0.00 244 T 8.63 4.94 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 1.22 0.00 0.00 245 G 8.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.