NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 3.9583 8.0431 120.3116 62.4219 32.9625 176.5859 9 G 3.7182 8.6008 112.7418 44.9843 0.0000 171.8200 10 R 4.5041 8.0260 115.8785 53.2612 30.9172 171.8976 11 P 4.4460 0.0000 0.0000 61.8957 32.6002 178.0817 12 S 4.4538 8.4557 115.3596 58.1482 65.0884 175.3781 13 G 3.7832 8.7230 109.5858 48.2671 0.0000 175.6956 14 D 4.4970 8.0662 120.6219 57.6178 41.0222 178.8491 15 T 3.8700 7.9839 110.2706 64.5900 68.8033 176.7289 16 Q 3.9699 8.1292 120.9288 58.9361 28.9077 178.3251 17 N 4.3714 8.5761 117.8423 56.4041 38.5465 177.3000 18 R 3.5159 7.6580 119.5632 59.6106 29.9885 178.4079 19 D 4.4344 8.1819 118.4818 57.0500 40.6869 178.8327 20 K 3.9771 8.6032 119.6793 59.4482 31.9606 179.2858 21 L 4.0550 7.9586 118.8592 57.9652 41.6071 179.6865 22 I 3.6185 7.6655 119.4403 64.0505 36.9991 178.2809 23 L 3.9401 8.3122 121.3037 58.1403 41.9416 178.7384 24 A 4.0282 8.4234 120.8987 55.1827 18.0622 179.3361 25 A 4.2409 8.1059 118.2899 55.5761 18.7429 179.4630 26 R 4.0126 8.1950 117.1179 59.7548 30.0358 178.5282 27 N 4.4891 8.4531 116.2909 56.0647 38.3126 177.0423 28 L 4.5882 7.9372 116.7915 54.9678 41.4797 176.7244 29 F 4.3137 7.8027 119.5235 59.9923 41.3165 176.2561 30 I 3.9100 8.3887 119.9728 64.4012 36.9273 177.3822 31 E 4.3737 8.3703 120.0879 58.3918 30.6624 177.4492 32 R 4.2128 7.6075 117.5850 55.1203 32.2527 176.0008 33 P 4.1645 0.0000 0.0000 64.1690 34.1982 176.2038 *34 Y 3.7820 8.6335 119.6290 57.5919 34.8498 174.1706 35 A 4.0933 8.5444 123.1426 54.6116 20.5247 180.4274 36 Q 4.3741 7.6822 117.1578 52.6831 27.4072 177.5587 37 V 3.9210 7.4493 121.7648 62.4071 32.9932 176.6232 38 S 4.5842 10.6314 122.7359 57.4542 65.4251 175.4692 39 I 3.6778 8.1926 122.6085 64.7073 36.7958 178.6487 40 R 3.9383 8.0713 118.2368 59.5483 29.8874 178.8329 41 E 3.9973 8.3995 118.1345 59.3462 29.4379 179.4063 42 I 3.7306 7.7554 119.4324 64.4910 37.1343 178.4345 43 A 4.0510 8.2746 121.7011 55.0245 17.6847 179.6806 44 S 4.0208 8.3157 111.8996 61.4240 62.2812 176.0812 45 L 3.9998 7.9037 121.7172 58.2524 41.9178 178.6092 46 A 4.2118 8.1107 119.7715 52.8026 18.4959 177.5199 47 G 3.7758 7.8625 103.7801 47.0951 0.0000 173.1676 48 T 4.7133 7.8647 107.8090 58.5482 72.2619 173.0034 49 D 4.3982 8.5961 121.4328 54.0883 41.2948 175.6916 50 P 4.5035 0.0000 0.0000 65.6262 31.2826 178.7946 51 G 3.6643 7.9679 104.8112 47.3334 0.0000 175.4058 52 L 4.1254 7.9424 120.5791 56.9092 41.4906 179.4847 53 I 4.0621 7.5653 120.1857 64.6184 37.1310 178.2901 54 R 3.9622 8.0224 119.0482 59.3494 29.7090 177.7104 55 Y 3.8094 7.6178 118.5900 61.0401 38.9250 177.4329 56 Y 4.0272 7.8210 116.2120 59.6932 38.0653 176.3826 57 F 4.7855 8.1851 115.1821 56.2341 41.2323 175.5956 58 G 4.3926 9.3792 113.8466 45.6234 0.0000 174.3844 59 S 4.7051 7.3824 113.2285 55.0316 67.4885 174.5194 60 K 3.6391 8.5379 122.7531 59.6413 31.7773 178.7404 61 E 4.1527 8.0640 118.4663 59.3299 29.4054 179.0609 62 K 4.0944 8.3826 121.3021 58.4309 31.9905 178.6445 63 L 3.0859 7.4248 120.0884 57.8793 41.9775 178.6896 64 F 4.6014 7.5612 116.3397 60.6808 38.9052 177.4816 65 S 4.3626 8.4744 114.1358 61.6316 62.7329 177.5851 66 T 3.9529 8.1130 118.7260 63.4135 68.1754 176.4496 *68 I 4.0238 7.7612 123.1027 61.8498 39.2136 177.9979 69 H 4.2244 8.2357 115.9269 58.9895 28.7054 176.9133 70 E 4.1628 8.2870 117.8277 59.6869 29.4879 178.6783 71 T 3.9824 7.9798 114.1054 66.5002 69.0431 174.8156 72 A 4.1784 7.8940 125.4126 51.5075 18.4101 177.1534 *74 P 4.2329 0.0000 0.0000 63.5080 33.9748 179.1846 75 V 3.0583 7.3621 117.7371 65.8425 31.3004 177.9278 76 L 3.6625 7.9239 118.7381 57.3140 41.2469 179.4960 77 A 3.8881 7.6846 120.3476 55.1827 18.3947 179.3823 78 Q 3.8584 7.9980 116.6240 59.1656 28.8154 179.0699 79 L 3.8670 7.7693 121.1614 58.2669 42.1300 178.4893 80 H 4.0536 8.2700 118.3469 58.9334 29.5772 177.1663 81 K 3.8545 8.1073 120.4646 59.5763 32.1637 178.3401 82 A 4.0919 8.1171 120.0007 54.8849 18.5675 179.0803 83 R 4.2124 7.9329 115.3310 57.5536 30.2717 178.7981 84 R 3.8712 7.5578 117.7673 59.3582 30.1985 177.6786 85 E 4.0724 8.1561 115.7003 57.9728 29.7055 176.3840 86 T 4.5488 7.4601 108.9611 59.5423 71.2266 173.7701 87 R 4.4088 8.1697 120.2490 54.9549 31.1147 176.8420 88 Q 3.9285 8.5803 117.4286 55.2104 28.4368 177.2880 89 E 3.6941 8.4164 119.2852 56.6142 29.2984 177.7656 90 S 4.4044 8.3657 118.3017 55.2899 64.7857 171.8826 91 P 3.8685 0.0000 0.0000 65.6382 31.0045 178.1906 92 A 4.0098 8.0103 118.4900 55.3778 18.3602 179.4249 93 A 4.1733 7.8237 118.8653 55.2756 18.4147 179.8824 94 L 4.0748 7.8637 117.5067 57.7864 41.6883 179.5107 95 L 3.9255 8.1011 120.3172 58.0371 42.0880 178.8031 96 Q 3.9258 8.3851 118.6905 59.2966 28.6952 179.1732 97 T 3.9540 8.0644 110.7135 64.7106 68.6811 175.8137 98 Y 4.0380 7.9526 121.5960 61.0244 38.8812 177.7658 99 Y 4.6958 8.1871 115.9915 61.2091 38.0307 178.1381 100 S 4.3595 8.0634 113.4454 61.1053 62.8775 175.4649 101 V 3.8466 7.7494 120.0776 63.5390 31.7253 177.5932 *103 S 4.4853 8.0271 113.0705 57.6686 63.8008 174.6433 104 K 4.1666 7.7035 117.0239 57.8780 32.8661 176.4749 105 H 4.9718 7.5556 115.5642 53.8104 29.1788 172.7213 106 P 4.3349 0.0000 0.0000 65.6554 32.0115 177.5223 107 H 4.7592 8.0674 114.5173 56.3422 29.4801 176.8494 108 F 4.1498 8.5103 122.3289 60.9097 39.3120 174.7787 109 P 4.4468 0.0000 0.0000 65.7016 31.3780 178.2662 110 R 4.1293 8.0154 117.0625 59.0214 30.0646 178.4337 111 L 4.0914 7.6163 116.8594 55.8333 41.3735 177.9574 *113 L 4.2477 7.9754 120.9698 54.6330 43.9070 178.6956 114 R 3.7401 8.3237 118.4834 59.5218 29.9696 178.5680 115 I 3.6365 7.7455 119.2527 64.3335 36.8878 178.3147 116 A 3.2194 6.7347 119.8450 53.9802 18.1193 178.8296 117 G 3.7905 7.1512 101.8443 43.9892 0.0000 174.2337 118 L 4.0018 6.9629 121.0344 54.2221 42.4671 176.8409 119 D 4.4396 8.4023 120.8399 54.2431 40.3273 176.7689 120 Q 4.3258 8.5428 125.6054 57.1171 28.9564 177.4241 121 S 4.4185 8.4864 112.7325 59.1111 63.9993 174.3285 122 L 4.4522 7.7138 123.0469 53.0304 42.4964 176.1246 123 P 4.3358 0.0000 0.0000 65.7289 31.5256 178.1920 124 E 4.0763 8.3121 117.3270 58.5268 29.5450 177.0808 125 N 4.8872 8.0533 114.3775 52.8294 40.0386 176.4355 126 A 4.0331 8.0352 121.6227 55.1153 18.3970 179.4925 127 E 3.9236 8.1395 117.3415 59.5314 29.9287 179.0588 128 V 3.6925 7.8289 117.8569 66.1632 31.6704 177.9973 129 T 3.8809 8.2494 115.7785 66.4138 68.4078 176.2598 130 K 3.9595 8.5916 121.8239 59.7293 32.1717 178.3931 131 A 4.2258 8.0729 120.7207 55.1881 18.2961 179.2103 132 F 3.9583 8.2388 119.0168 61.8922 39.2072 177.0892 133 Y 4.0676 7.6862 114.6129 60.7055 37.7372 177.8959 134 E 4.1566 8.2226 119.7100 59.4982 29.4062 179.5041 135 V 3.7225 7.6309 116.8252 65.5885 31.8728 177.4818 136 V 3.9756 7.2289 110.2903 61.1367 31.3237 177.4873 137 N 4.4426 7.7949 118.7557 55.1631 37.2392 176.1320 138 F 4.4074 8.0560 115.2982 58.8008 38.4965 175.5779 139 E 3.7841 7.0079 121.7654 56.4644 29.9913 177.5766 140 N 4.7049 8.3845 122.2226 52.0587 37.1249 175.8330 141 I 3.9278 7.5305 110.8287 62.1082 38.7521 177.2415 142 A 4.7518 7.6187 123.9388 51.5421 19.9543 177.8109 143 I 3.5483 7.8162 121.9589 65.8619 37.8816 177.9182 144 F 3.9168 8.5036 118.4541 60.0316 38.6265 177.5042 145 Q 3.9452 8.1172 119.1649 59.2944 28.9088 178.4141 146 R 3.8975 8.0316 118.9940 59.2269 30.0107 179.0474 147 L 3.9012 7.9811 118.9156 57.5390 41.5756 179.4651 148 K 3.9239 8.2764 119.7208 59.7621 31.9505 178.6905 149 D 4.4461 7.9449 117.9041 56.7895 40.7666 177.8881 150 K 4.2773 7.7738 116.6355 55.5865 32.1895 176.3786 151 N 4.2232 7.7521 115.3978 54.6309 36.3860 174.7906 152 L 4.5033 8.1283 115.8048 54.5084 42.2180 176.5329 153 L 4.9751 7.3457 118.1521 52.1962 44.6809 176.3776 154 K 4.0937 8.8433 120.4744 56.4896 32.6353 177.8665 155 D 4.3276 8.8412 121.7505 57.2919 41.0836 176.9741 156 D 4.7043 7.8800 115.0079 52.9046 39.8919 176.1317 157 V 3.7226 7.7266 121.0357 62.8294 32.1400 175.1309 158 D 4.7385 8.5268 125.9825 52.7750 42.8038 176.6737 159 A 4.0369 8.5788 128.9245 55.6855 18.5481 179.0476 160 H 4.1553 8.1957 114.0868 59.3934 28.8638 177.7106 161 C 4.1539 8.4677 118.1480 62.5698 27.8598 175.9364 162 A 3.6705 8.1933 122.7513 55.1608 17.8480 179.3700 163 Q 4.0284 8.2429 118.3910 59.3279 29.0590 178.4367 164 L 4.1419 8.0780 121.2746 58.3931 41.9640 179.1810 165 S 4.1071 7.9529 114.0418 61.2522 62.7991 175.9663 166 F 4.4744 8.1783 122.8924 61.5210 39.2229 176.3862 167 F 4.2972 8.4427 118.7124 60.9457 40.6653 176.5598 168 A 4.0575 7.9216 120.7871 52.3560 13.8600 177.6263 *171 V 4.2869 7.4281 124.6727 62.2237 34.3088 177.0087 172 F 4.2500 8.5605 121.5642 61.1300 38.8005 175.1794 173 P 4.0065 0.0000 0.0000 65.4188 31.1138 177.7428 174 F 4.3616 8.0734 114.2554 58.7079 39.2081 177.1276 175 I 4.1623 7.2790 118.2844 61.6231 38.0230 176.5521 176 V 3.3091 6.6124 119.5739 61.8634 31.9010 173.9221 177 P 4.2938 0.0000 0.0000 62.8450 31.9725 177.0663 178 E 3.8904 8.8600 121.3028 59.5580 29.2124 179.2251 179 N 4.2058 8.2199 116.0694 56.7263 38.1983 177.0901 180 L 4.0527 7.8701 119.8113 57.3555 41.7399 179.3653 181 L 3.9006 7.7298 118.5386 57.9343 41.6053 179.1938 182 E 3.9202 8.2620 118.5029 59.4304 29.1268 179.4302 183 R 3.9162 7.6334 117.5236 58.8243 30.1082 177.9563 184 V 4.2617 7.2271 109.4367 60.6446 31.8072 176.2607 185 G 3.8074 8.0073 106.1285 46.1984 0.0000 173.6357 186 I 4.0417 7.7691 120.0870 58.6694 39.3454 174.7866 187 E 4.4305 8.0915 125.1961 54.2716 32.1348 176.4809 188 L 4.3445 8.0183 127.7085 54.0866 40.6111 176.9892 189 T 4.1964 7.3202 111.5973 60.7139 71.4848 173.3743 190 P 4.2848 0.0000 0.0000 66.1343 31.3234 178.6732 191 D 4.3699 8.0890 116.9808 57.4021 40.8541 178.4907 192 F 4.1391 8.3803 121.1766 61.2256 39.3712 177.2767 193 L 4.0575 8.4669 119.1255 57.4907 41.4094 179.2450 194 Q 4.0144 8.3904 119.9526 58.9801 28.9865 177.9865 195 L 3.8512 7.8426 121.3057 58.1620 42.1349 178.6836 196 L 3.8082 7.9976 120.2955 57.8848 41.8452 178.6987 197 A 3.9850 8.6926 121.1981 55.1409 18.4711 179.1401 198 E 3.8636 8.0821 117.5416 59.6546 29.6824 179.0463 199 Q 4.0235 8.4336 118.3835 59.1973 28.7256 178.6409 200 N 4.4514 8.4696 117.3841 56.1124 38.6239 177.5415 201 T 3.9098 8.1307 117.5994 67.0213 68.5448 176.7266 202 R 3.9924 7.9155 119.2102 58.8922 29.9774 178.7701 203 L 3.9614 8.2006 120.4345 58.2197 42.0917 179.1208 204 L 4.0519 8.2146 118.9553 57.8755 41.3496 179.4830 205 Q 4.0041 7.9044 116.7049 59.3125 28.8418 178.9090 206 R 4.1964 8.1277 118.0133 58.9965 30.1386 179.2074 207 G 3.8245 8.2271 105.3871 46.8422 0.0000 174.6244 208 L 4.6427 8.0890 122.5249 54.9058 42.8147 177.1228 *210 D 4.4449 8.2069 123.2608 53.5421 40.4487 178.2977 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 8 V 8.04 3.96 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 0.89 0.00 0.00 0.93 0.00 0.00 9 G 8.60 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 10 R 8.03 4.50 0.00 1.77 1.86 0.00 3.22 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 11 P 0.00 4.45 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 12 S 8.46 4.45 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.72 3.78 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 0.00 0.00 0.00 14 D 8.07 4.50 0.00 2.76 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.98 3.87 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 Q 8.13 3.97 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 17 N 8.58 4.37 0.00 3.05 3.08 0.00 0.00 6.72 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 18 R 7.66 3.52 0.00 0.94 1.74 0.00 2.60 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.00 19 D 8.18 4.43 0.00 2.88 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 20 K 8.60 3.98 0.00 1.99 2.00 0.00 1.71 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.66 7.81 21 L 7.96 4.05 0.00 2.16 1.83 1.31 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.67 3.62 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 0.91 0.00 0.00 23 L 8.31 3.94 0.00 1.87 1.84 0.95 1.18 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 24 A 8.42 4.03 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 25 A 8.11 4.24 1.53 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 26 R 8.19 4.01 0.00 2.02 2.16 0.00 3.13 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 27 N 8.45 4.49 0.00 2.83 2.87 0.00 0.00 7.04 6.33 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 28 L 7.94 4.59 0.00 1.73 1.70 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.80 4.31 0.00 3.20 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 30 I 8.39 3.91 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.85 0.00 0.00 31 E 8.37 4.37 0.00 2.09 1.99 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 2.28 2.24 0.00 32 R 7.61 4.21 0.00 1.78 1.56 0.00 3.31 0.00 0.00 3.22 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 33 P 0.00 4.16 0.00 1.97 2.01 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 *34 Y 8.63 3.78 0.00 2.32 1.88 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 35 A 8.54 4.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.68 4.37 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.87 0.00 0.00 0.00 0.00 0.00 2.26 1.91 0.00 37 V 7.45 3.92 2.21 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 1.09 0.00 0.00 0.90 0.00 0.00 38 S 10.63 4.58 0.00 4.11 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.19 3.68 1.88 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 1.63 0.55 0.95 0.00 0.00 40 R 8.07 3.94 0.00 1.86 2.01 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 41 E 8.40 4.00 0.00 2.20 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 0.00 2.34 2.36 0.00 42 I 7.76 3.73 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 0.92 0.00 0.00 43 A 8.27 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.34 0.00 2.24 2.33 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 124 E 8.31 4.08 0.00 1.99 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 0.00 2.35 2.44 0.00 125 N 8.05 4.89 0.00 2.91 2.82 0.00 0.00 6.71 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 0.00 126 A 8.04 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.14 3.92 0.00 2.11 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 2.45 2.43 0.00 128 V 7.83 3.69 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 1.04 0.00 0.00 1.10 0.00 0.00 129 T 8.25 3.88 4.49 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 1.46 0.00 0.00 130 K 8.59 3.96 0.00 1.88 2.08 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.57 7.81 131 A 8.07 4.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.24 3.96 0.00 2.99 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 0.00 133 Y 7.69 4.07 0.00 3.11 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 0.00 134 E 8.22 4.16 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 135 V 7.63 3.72 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 1.00 0.00 0.00 0.93 0.00 0.00 136 V 7.23 3.98 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 0.49 0.00 0.00 0.36 0.00 0.00 137 N 7.79 4.44 0.00 2.80 3.17 0.00 0.00 6.89 8.07 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 0.00 138 F 8.06 4.41 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.01 3.78 0.00 1.68 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 0.00 1.60 1.47 0.00 140 N 8.38 4.70 0.00 2.81 2.76 0.00 0.00 6.88 7.32 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 0.00 141 I 7.53 3.93 1.81 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 1.29 0.49 0.83 0.00 0.00 142 A 7.62 4.75 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 0.00 143 I 7.82 3.55 1.84 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.31 0.77 0.00 0.00 144 F 8.50 3.92 0.00 3.10 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 0.00 145 Q 8.12 3.95 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 146 R 8.03 3.90 0.00 1.97 1.89 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 147 L 7.98 3.90 0.00 1.69 1.62 0.20 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.28 3.92 0.00 2.01 2.00 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 149 D 7.94 4.45 0.00 2.83 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 0.00 150 K 7.77 4.28 0.00 1.71 1.80 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.56 7.81 151 N 7.75 4.22 0.00 2.89 2.90 0.00 0.00 6.84 7.87 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 0.00 152 L 8.13 4.50 0.00 1.69 1.65 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.35 4.98 0.00 1.63 1.60 1.08 1.07 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 0.00 154 K 8.84 4.09 0.00 1.77 1.74 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.50 7.81 155 D 8.84 4.33 0.00 2.61 2.72 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 0.00 156 D 7.88 4.70 0.00 2.80 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 0.00 157 V 7.73 3.72 2.22 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 0.74 0.00 0.00 0.94 0.00 0.00 158 D 8.53 4.74 0.00 2.83 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.04 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 0.00 160 H 8.20 4.16 0.00 3.47 3.38 0.00 5.82 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 0.00 161 C 8.47 4.15 0.00 3.11 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 0.00 162 A 8.19 3.67 0.90 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 0.00 163 Q 8.24 4.03 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 164 L 8.08 4.14 0.00 1.99 1.83 1.02 0.80 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 0.00 165 S 7.95 4.11 0.00 3.93 3.89 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 0.00 166 F 8.18 4.47 0.00 2.83 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 0.00 167 F 8.44 4.30 0.00 2.96 3.32 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 0.00 168 A 7.92 4.06 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 *171 V 7.43 4.29 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 1.11 0.00 0.00 1.08 0.00 0.00 172 F 8.56 4.25 0.00 3.11 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.01 0.00 1.45 1.78 0.00 3.93 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 2.05 2.24 0.00 174 F 8.07 4.36 0.00 3.31 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 0.00 175 I 7.28 4.16 1.88 0.00 0.00 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 1.83 0.86 0.91 0.00 0.00 176 V 6.61 3.31 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 -0.28 0.00 0.00 177 P 0.00 4.29 0.00 2.16 1.93 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 178 E 8.86 3.89 0.00 2.01 1.96 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 2.35 2.40 0.00 179 N 8.22 4.21 0.00 2.69 2.87 0.00 0.00 7.18 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 0.00 180 L 7.87 4.05 0.00 1.76 1.68 0.92 0.66 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 0.00 181 L 7.73 3.90 0.00 1.54 1.69 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 182 E 8.26 3.92 0.00 2.19 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 2.26 2.36 0.00 183 R 7.63 3.92 0.00 1.84 2.14 0.00 3.23 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 184 V 7.23 4.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 185 G 8.01 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 0.00 186 I 7.77 4.04 1.69 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 0.70 0.52 0.05 0.00 0.00 187 E 8.09 4.43 0.00 1.76 1.67 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 2.09 2.20 0.00 188 L 8.02 4.34 0.00 1.55 1.51 0.24 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 189 T 7.32 4.20 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 1.20 0.00 0.00 190 P 0.00 4.28 0.00 2.21 2.19 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 191 D 8.09 4.37 0.00 2.82 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 0.00 192 F 8.38 4.14 0.00 3.14 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 0.00 193 L 8.47 4.06 0.00 1.92 1.80 1.04 0.34 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 0.00 194 Q 8.39 4.01 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 195 L 7.84 3.85 0.00 1.74 1.55 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.00 3.81 0.00 1.07 1.65 0.93 0.83 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 0.00 197 A 8.69 3.98 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 0.00 198 E 8.08 3.86 0.00 2.20 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 0.00 2.31 2.36 0.00 199 Q 8.43 4.02 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 200 N 8.47 4.45 0.00 2.92 2.95 0.00 0.00 7.04 6.62 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 0.00 201 T 8.13 3.91 4.46 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 1.23 0.00 0.00 202 R 7.92 3.99 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 203 L 8.20 3.96 0.00 1.87 1.88 0.94 0.78 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 0.00 204 L 8.21 4.05 0.00 1.97 1.83 1.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 205 Q 7.90 4.00 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 206 R 8.13 4.20 0.00 1.86 2.00 0.00 3.30 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 207 G 8.23 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 0.00 208 L 8.09 4.64 0.00 1.89 1.69 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 *210 D 8.21 4.44 0.00 2.72 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 * Residues marked with a * may have inaccurate shift predictions.