NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 D 4.4977 8.3649 120.1874 52.7770 44.0052 176.2507 46 K 4.0010 7.5497 115.9189 58.1226 33.8271 177.4845 47 T 4.0670 8.5119 116.1552 66.1256 68.9289 176.7382 48 T 3.9259 7.7882 117.9252 66.6663 68.6053 176.1616 49 F 4.4224 8.0483 122.0433 61.5001 39.5114 177.1421 50 R 3.9864 8.0945 117.2965 59.2243 29.3423 178.9033 51 L 4.2311 8.1037 118.5092 57.0840 41.7685 179.3237 52 L 4.1107 7.6775 118.9680 57.4616 41.8837 178.9693 53 R 3.9992 8.1156 118.3755 58.2615 29.3906 178.3451 54 G 3.7250 7.5456 104.0650 47.4346 0.0000 175.4567 55 E 4.2021 7.8610 120.2781 58.7244 29.6463 178.8110 56 S 4.3124 7.9515 113.1931 61.4982 62.3483 175.8482 57 N 4.6302 8.0622 117.4896 55.8083 38.5819 177.0846 58 L 4.0880 7.7303 121.1055 58.3631 41.8060 179.0688 59 F 3.9949 8.1610 117.6932 60.4968 38.5553 176.9482 60 Y 3.9629 7.6866 118.3331 60.1838 38.6142 177.1067 61 T 4.0029 7.6505 109.8907 63.9215 69.2167 175.6831 62 L 4.0879 7.6676 119.4158 55.8538 42.3875 176.8403 63 A 4.3665 7.0039 119.4025 52.1145 18.9377 176.7863 64 K 4.5043 9.0379 119.9778 54.8667 36.5102 174.9697 65 W 4.9080 8.8359 135.0000 55.6854 32.0601 174.2013 66 E 4.4762 8.1938 127.7916 55.2157 31.9641 175.1288 67 N 4.0259 9.1456 122.2402 54.6897 37.0543 173.7809 68 N 4.2586 8.3738 110.7674 53.3546 38.0240 173.2720 69 K 3.9572 6.7707 115.2248 53.9534 34.9437 174.9477 70 L 4.1692 7.3583 123.5927 55.1952 43.0049 175.5866 71 H 4.6698 9.8994 124.1927 53.8943 31.5542 172.8439 72 V 4.2608 8.0750 123.3214 60.8532 33.1128 174.2954 73 E 4.4743 8.4625 129.0284 54.5415 31.1716 175.6187 74 L 4.0724 8.3170 126.6221 54.6451 39.7915 174.5622 75 P 4.0596 0.0000 0.0000 63.9360 31.9517 175.1299 *83 P 4.9648 0.0000 0.0000 61.3568 33.7230 176.0125 84 T 5.7974 7.2978 108.5746 59.8169 71.1761 172.6994 *86 T 4.3921 8.1603 115.5048 64.0779 70.4126 173.1072 87 L 5.1058 8.9364 123.9060 53.0319 46.1859 175.5156 88 I 5.2399 9.1390 122.9755 59.8980 40.8710 174.2751 89 Y 5.3525 9.3652 123.4767 56.4445 42.5531 175.0162 90 D 5.4025 8.5702 121.1749 52.1226 42.2143 176.6938 91 E 4.0220 8.9991 115.2840 59.5482 29.5320 177.2703 92 N 4.6091 9.8114 115.6009 52.9657 38.9576 175.3607 93 G 3.9155 8.1841 106.3592 46.2753 0.0000 173.2652 94 Q 4.6946 8.1427 117.7209 53.2783 30.6497 175.1059 95 L 3.8290 8.4929 124.2928 55.1478 42.5883 176.2404 96 L 4.7335 8.2441 125.2550 55.1985 44.4550 176.7025 97 W 4.7701 7.5345 125.6546 56.2206 33.7350 172.9829 98 A 4.4808 7.2130 127.3227 49.7846 21.2871 176.6651 99 Q 3.0864 7.9631 123.1748 58.2880 29.6896 176.6150 100 R 4.3606 6.8496 113.0718 54.6551 34.3438 174.5470 101 D 4.3360 8.3520 121.8755 52.2133 39.0531 176.3820 102 V 4.0696 7.5905 125.1836 59.8847 32.1988 173.9697 103 P 4.1984 0.0000 0.0000 65.0942 31.3669 178.4305 104 W 4.3943 8.0826 113.1973 59.2449 28.0221 176.3310 105 L 3.5712 6.2585 120.2072 55.0572 41.1000 176.8049 *107 K 3.8929 7.8703 112.8733 55.8229 33.2234 177.5143 *109 I 3.7350 7.5639 119.1418 60.7457 37.4266 175.3727 110 Q 3.5918 6.2634 124.6702 54.6122 28.9365 176.1312 111 P 4.1591 0.0000 0.0000 65.9735 31.3933 178.2134 112 D 4.3780 7.8691 118.4768 56.9876 40.6167 178.4613 113 W 4.4264 8.3185 119.9209 59.4293 28.7957 177.8294 114 L 4.1673 7.5320 116.9766 56.1417 41.0902 178.7820 115 K 4.2479 7.7215 119.1764 57.7406 32.3238 176.8254 116 S 4.7996 7.0238 111.9590 56.1461 66.9214 173.2932 117 N 4.7124 8.6716 119.2466 53.7887 39.1399 174.7053 118 G 3.9123 8.7248 108.2890 45.8887 0.0000 171.7292 119 F 5.3006 8.4590 121.9744 56.5826 41.7786 173.5833 120 H 4.7790 8.4993 122.1358 53.9137 33.4171 171.8532 121 E 5.2785 8.4791 117.5131 54.7351 33.2171 175.6169 122 I 4.8543 8.6093 116.1436 59.2178 41.0954 174.2254 123 E 4.9129 8.8583 124.7556 55.7661 31.1405 174.7287 124 A 4.3586 7.9501 122.7282 51.0175 22.2047 176.0695 125 D 4.7799 7.9236 119.6924 51.7013 41.1814 177.5931 126 V 3.5648 8.1384 117.5492 65.9544 31.1089 177.1218 127 N 4.2504 8.0427 115.6580 56.8385 39.2371 176.1243 128 D 4.3132 9.0245 120.9695 57.3307 40.7481 178.8218 129 T 4.1020 7.7816 116.5772 66.7417 68.3426 176.7344 130 S 4.3204 8.3467 115.5108 60.7059 62.8674 175.8759 131 L 4.3781 7.6511 121.1732 56.4701 41.6983 177.9777 132 L 4.3855 7.8802 117.4022 55.5825 42.0703 177.0516 133 L 4.6887 7.4547 116.0072 52.9259 43.9467 179.4858 134 S 4.0730 8.4141 113.2111 58.1027 62.0750 172.5033 135 G 3.4912 8.0454 104.2932 46.8191 0.0000 173.0805 *138 S 4.4487 8.2258 114.0587 58.1960 64.1323 175.9368 139 I 3.8529 7.5338 118.8832 62.9467 38.3131 177.3341 140 Q 4.0487 7.6548 120.4450 59.4696 28.4743 179.1747 141 Q 4.0075 8.0545 117.8618 59.6340 28.1294 178.7384 142 Q 4.0682 8.1270 119.9873 58.3429 28.8173 178.6196 143 L 4.1146 7.7083 120.0959 57.5169 41.6261 179.3068 144 Q 4.0988 7.9470 118.0334 58.2386 28.2038 177.7764 145 E 4.1852 8.0927 117.7896 58.3483 29.8887 178.8160 146 V 3.6195 7.2570 118.3087 65.8212 31.4052 177.6145 147 R 4.0202 7.9274 118.2861 59.2511 29.7171 178.0915 148 E 4.0335 8.1829 118.5538 58.0634 29.7012 177.3271 149 D 5.0459 7.1811 115.8466 51.7146 40.8166 175.8223 150 D 4.6413 7.2949 116.7719 54.0683 43.5744 176.0330 151 D 4.5587 8.7540 124.1586 54.5956 39.5803 176.8977 152 D 4.7841 8.0663 118.9508 53.9907 41.1625 176.0640 153 A 4.1076 7.8469 122.4105 52.6618 19.4784 178.0008 154 E 4.5025 8.4575 120.6098 55.0276 32.7451 175.1853 *156 T 4.4207 8.1134 115.2899 64.1990 70.3372 173.1806 157 H 5.2522 8.9067 121.9571 53.9881 32.6613 173.3860 158 S 4.5932 8.7016 118.4146 58.4153 64.6174 173.3012 159 V 4.7174 8.2146 122.5823 61.1155 34.6565 173.7399 160 A 5.2599 9.0659 130.1202 50.1583 21.5931 175.0802 161 V 4.8071 9.1298 122.7661 61.1671 34.4007 174.2240 162 N 5.3615 9.1405 124.1949 51.5079 42.7261 173.2561 163 V 4.6451 9.4283 124.2934 61.3436 33.6564 174.5361 164 Y 4.4536 8.8135 125.4452 55.3584 39.9324 173.5148 165 P 4.6733 0.0000 0.0000 62.5853 32.1719 176.5333 166 A 4.2562 8.5672 123.7719 52.2096 18.9047 177.5249 167 T 4.3867 8.1868 111.7188 61.4949 69.2484 175.1046 168 S 4.7037 8.8527 117.3660 58.4365 63.6182 174.2815 169 R 4.4837 7.8371 117.1192 55.3711 31.7740 172.7958 *171 P 4.0600 0.0000 0.0000 61.7433 32.5881 175.9924 172 K 4.2494 8.5609 121.1743 57.4895 32.5270 175.4802 173 L 5.2880 9.2905 125.9255 53.5123 46.9015 175.5598 174 T 5.1514 8.8336 115.4357 62.5675 72.7882 173.2730 175 I 5.0084 9.1852 127.7926 59.5831 40.0513 174.8232 176 V 4.9605 9.2464 126.3845 61.0806 34.3275 174.2221 177 V 4.6839 8.8749 127.6337 60.9969 34.4989 174.0726 178 V 4.7570 8.2296 126.7794 60.9939 34.3919 173.6878 179 D 5.0473 8.7005 128.6322 53.8385 40.8941 176.3632 180 T 4.0915 10.5402 117.8552 63.6792 69.2854 174.2795 181 I 4.5262 7.6717 123.9580 59.1079 38.0119 173.9891 182 P 4.3621 0.0000 0.0000 62.4201 31.8464 177.1733 183 V 3.5634 8.6199 121.8582 66.3431 31.3470 176.7709 184 E 4.4606 8.0881 113.9237 56.4906 29.5069 176.2370 185 L 4.7041 8.0442 118.9877 54.6257 42.7396 176.7197 186 K 4.2312 8.3576 123.3820 56.7118 31.3697 176.5535 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 45 D 8.36 4.50 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.55 4.00 0.00 1.84 1.71 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.51 7.81 47 T 8.51 4.07 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 1.23 0.00 0.00 48 T 7.79 3.93 4.38 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 1.59 0.00 0.00 49 F 8.05 4.42 0.00 2.69 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 50 R 8.09 3.99 0.00 2.12 2.00 0.00 3.21 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 51 L 8.10 4.23 0.00 1.87 1.74 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.68 4.11 0.00 1.79 1.66 1.01 0.56 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 53 R 8.12 4.00 0.00 0.98 1.60 0.00 3.20 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 54 G 7.55 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.86 4.20 0.00 2.22 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 2.48 2.68 0.00 56 S 7.95 4.31 0.00 4.13 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 57 N 8.06 4.63 0.00 2.87 2.99 0.00 0.00 7.03 7.38 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 58 L 7.73 4.09 0.00 2.09 1.78 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.16 3.99 0.00 3.23 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 60 Y 7.69 3.96 0.00 2.46 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.65 4.00 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 1.38 0.00 0.00 62 L 7.67 4.09 0.00 1.45 1.59 0.68 0.72 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 63 A 7.00 4.37 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 64 K 9.04 4.50 0.00 1.72 1.55 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.68 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.36 7.81 65 W 8.84 4.91 0.00 3.38 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 66 E 8.19 4.48 0.00 1.84 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 2.01 2.10 0.00 67 N 9.15 4.03 0.00 2.83 2.81 0.00 0.00 7.03 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 68 N 8.37 4.26 0.00 2.88 2.84 0.00 0.00 7.02 6.68 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 69 K 6.77 3.96 0.00 1.74 1.31 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.13 1.16 7.81 70 L 7.36 4.17 0.00 1.77 1.42 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 H 9.90 4.67 0.00 3.05 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.07 4.26 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 0.00 0.00 -0.19 0.00 0.00 0.38 0.00 0.00 73 E 8.46 4.47 0.00 1.91 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 2.10 2.20 0.00 74 L 8.32 4.07 0.00 1.79 1.76 0.93 0.66 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 75 P 0.00 4.06 0.00 1.92 1.57 0.00 3.46 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.44 0.00 *83 P 0.00 4.96 0.00 2.31 2.42 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 84 T 7.30 5.80 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 1.27 0.00 0.00 *86 T 8.16 4.39 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 0.98 0.00 0.00 87 L 8.94 5.11 0.00 1.77 1.32 0.94 0.86 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 88 I 9.14 5.24 2.06 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 1.35 1.05 1.11 0.00 0.00 89 Y 9.37 5.35 0.00 2.94 2.88 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 90 D 8.57 5.40 0.00 2.86 2.98 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 91 E 9.00 4.02 0.00 2.12 2.15 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 2.31 2.37 0.00 92 N 9.81 4.61 0.00 2.68 2.93 0.00 0.00 7.13 7.53 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 93 G 8.18 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 0.00 94 Q 8.14 4.69 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 95 L 8.49 3.83 0.00 1.39 1.45 0.23 0.75 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 96 L 8.24 4.73 0.00 1.75 1.77 1.12 1.22 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 97 W 7.53 4.77 0.00 3.30 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 98 A 7.21 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.96 3.09 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 100 R 6.85 4.36 0.00 1.69 1.64 0.00 3.18 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 101 D 8.35 4.34 0.00 2.67 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 V 7.59 4.07 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.78 0.00 0.00 103 P 0.00 4.20 0.00 2.11 2.11 0.00 3.72 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 2.02 2.04 0.00 104 W 8.08 4.39 0.00 3.44 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 6.26 3.57 0.00 0.27 1.18 0.56 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 *107 K 7.87 3.89 0.00 1.85 1.85 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.65 7.81 *109 I 7.56 3.74 1.81 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 0.85 0.00 0.00 110 Q 6.26 3.59 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.83 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.00 111 P 0.00 4.16 0.00 2.13 2.24 0.00 3.43 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 112 D 7.87 4.38 0.00 2.69 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 0.00 113 W 8.32 4.43 0.00 3.34 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 0.00 114 L 7.53 4.17 0.00 1.50 1.63 0.37 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.72 4.25 0.00 1.71 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.64 7.81 116 S 7.02 4.80 0.00 3.95 3.71 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 0.00 117 N 8.67 4.71 0.00 2.57 2.81 0.00 0.00 6.73 7.65 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 0.00 118 G 8.72 3.91 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 0.00 0.00 0.00 119 F 8.46 5.30 0.00 2.71 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 0.00 120 H 8.50 4.78 0.00 2.15 2.20 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.48 5.28 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 122 I 8.61 4.85 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 1.25 0.00 0.00 123 E 8.86 4.91 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 124 A 7.95 4.36 0.71 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 0.00 0.00 125 D 7.92 4.78 0.00 2.81 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 0.00 126 V 8.14 3.56 2.05 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 1.01 0.00 0.00 0.96 0.00 0.00 127 N 8.04 4.25 0.00 2.68 2.94 0.00 0.00 7.00 8.47 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 0.00 128 D 9.02 4.31 0.00 1.79 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 0.00 0.00 0.00 0.00 129 T 7.78 4.10 4.39 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 1.33 0.00 0.00 130 S 8.35 4.32 0.00 4.08 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 0.00 131 L 7.65 4.38 0.00 2.19 1.94 1.13 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.88 4.39 0.00 2.09 1.79 0.88 0.53 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 0.00 133 L 7.45 4.69 0.00 1.78 1.66 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.41 4.07 0.00 4.04 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 0.00 135 G 8.05 3.49 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 0.00 *138 S 8.23 4.45 0.00 3.91 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 0.00 139 I 7.53 3.85 1.90 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 1.45 1.08 0.95 0.00 0.00 140 Q 7.65 4.05 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 141 Q 8.05 4.01 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 142 Q 8.13 4.07 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 143 L 7.71 4.11 0.00 1.82 1.72 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.95 4.10 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 145 E 8.09 4.19 0.00 2.19 2.20 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 2.55 2.42 0.00 146 V 7.26 3.62 2.23 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 0.81 0.00 0.00 1.01 0.00 0.00 147 R 7.93 4.02 0.00 2.18 2.05 0.00 3.14 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 148 E 8.18 4.03 0.00 2.27 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 2.32 2.31 0.00 149 D 7.18 5.05 0.00 2.84 2.73 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 0.00 0.00 0.00 0.00 150 D 7.29 4.64 0.00 2.75 2.55 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 0.00 151 D 8.75 4.56 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.07 4.78 0.00 2.80 2.66 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 0.00 153 A 7.85 4.11 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 0.00 154 E 8.46 4.50 0.00 1.84 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 2.19 2.44 0.00 *156 T 8.11 4.42 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 157 H 8.91 5.25 0.00 3.23 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.70 4.59 0.00 3.84 3.70 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 0.00 159 V 8.21 4.72 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 0.99 0.00 0.00 0.96 0.00 0.00 160 A 9.07 5.26 1.13 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 0.00 0.00 161 V 9.13 4.81 2.15 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 1.23 0.00 0.00 1.02 0.00 0.00 162 N 9.14 5.36 0.00 2.68 2.24 0.00 0.00 6.15 7.03 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 0.00 163 V 9.43 4.65 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 0.76 0.00 0.00 0.90 0.00 0.00 164 Y 8.81 4.45 0.00 2.85 2.43 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 0.00 165 P 0.00 4.67 0.00 1.94 2.01 0.00 3.67 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 2.09 0.00 166 A 8.57 4.26 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 0.00 167 T 8.19 4.39 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 1.33 0.00 0.00 168 S 8.85 4.70 0.00 3.85 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 0.00 169 R 7.84 4.48 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 *171 P 0.00 4.06 0.00 1.74 1.56 0.00 3.17 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 172 K 8.56 4.25 0.00 1.84 1.78 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.67 7.81 173 L 9.29 5.29 0.00 1.80 1.70 1.06 0.76 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 0.00 174 T 8.83 5.15 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 175 I 9.19 5.01 2.19 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 1.26 1.22 0.98 0.00 0.00 176 V 9.25 4.96 2.31 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 1.12 0.00 0.00 1.02 0.00 0.00 177 V 8.87 4.68 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 0.99 0.00 0.00 1.01 0.00 0.00 178 V 8.23 4.76 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 0.99 0.00 0.00 0.91 0.00 0.00 179 D 8.70 5.05 0.00 2.82 2.66 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 0.00 180 T 10.54 4.09 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 1.25 0.00 0.00 181 I 7.67 4.53 2.04 0.00 0.00 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 1.40 0.62 0.94 0.00 0.00 182 P 0.00 4.36 0.00 2.15 2.03 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 183 V 8.62 3.56 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 0.82 0.00 0.00 0.98 0.00 0.00 184 E 8.09 4.46 0.00 2.12 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 2.25 2.26 0.00 185 L 8.04 4.70 0.00 1.74 1.68 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.36 4.23 0.00 1.86 2.10 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.