NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2340 8.2649 123.5919 50.7281 21.4375 175.8590 2 N 4.0034 8.0071 112.0952 53.2250 34.6185 172.4212 3 K 4.2948 8.0489 112.8984 56.4867 33.9193 177.2305 4 G 3.7996 8.4516 108.4877 44.7295 0.0000 171.6055 5 F 3.2712 8.5546 124.2518 58.2076 36.5824 173.9740 6 L 3.0421 7.8644 120.1753 55.7198 39.8231 175.3316 *9 V 3.9774 8.1800 121.4029 62.0058 32.9045 174.3568 10 R 4.7019 7.4901 113.3397 53.7982 32.3174 175.0254 11 K 3.9666 8.4695 119.5940 56.1102 32.6661 176.7823 12 G 3.6874 8.3436 114.4687 45.9092 0.0000 172.6830 13 N 4.6636 8.1539 120.0402 52.1812 41.8590 175.2794 14 L 3.9169 8.3753 127.1076 55.5600 41.3769 177.7260 *16 R 4.1865 7.9781 114.8322 55.9007 31.4561 176.2400 *18 C 4.9112 8.0681 113.6272 57.4875 42.2040 173.8808 19 L 4.4235 7.5920 118.9413 54.1352 41.4442 174.7110 *22 P 4.4841 0.0000 0.0000 63.0125 32.5531 174.2795 23 C 5.1233 8.9473 112.8182 53.9602 44.7930 173.9246 24 S 4.7967 8.4753 115.2487 57.4174 64.1282 175.2846 25 R 3.0302 7.7370 121.8503 56.2959 27.1377 176.3442 *28 A 3.9999 8.1244 124.8216 51.6772 20.6062 179.4465 29 F 4.0617 8.2891 112.1712 58.6451 39.1827 175.5747 *31 A 4.3661 7.9296 123.0853 51.5168 21.1939 178.0307 32 L 4.4821 8.4947 116.9813 54.4200 40.2708 180.2043 *34 S 4.1960 8.5104 122.6839 59.2719 64.9340 173.5149 35 L 4.4317 8.3015 124.8094 57.8846 42.2779 179.0087 36 S 4.1171 8.2112 113.6604 61.6203 62.7927 176.3671 37 A 4.0667 7.9691 123.7207 55.2079 17.7529 179.6749 38 T 4.1457 7.5968 112.9288 66.4354 68.5950 177.1447 39 D 4.4797 8.9261 121.2870 57.2406 40.9204 178.3282 40 A 4.3210 7.9394 122.5594 55.4427 18.3761 178.5389 41 F 4.0464 8.5792 117.6985 61.1036 39.0908 177.2113 42 W 4.6913 9.1543 126.4205 60.5682 30.8263 177.9305 43 A 4.0526 8.2357 121.9329 54.6760 17.6202 179.8384 44 K 3.8392 7.7084 115.0876 59.6567 32.3104 178.6027 45 Y 4.0393 7.7245 120.1232 60.9313 38.1199 178.4013 46 T 3.2869 8.1017 110.0324 63.9114 68.8314 175.2133 47 A 4.3425 7.2514 122.2583 52.5020 19.2896 176.6112 48 C 4.8979 8.0451 113.4018 56.2502 41.1807 175.7041 49 E 3.4931 7.8437 118.9121 58.3158 29.2667 177.6412 50 S 4.4112 7.7859 112.3343 58.8812 64.0077 173.9082 51 A 4.7307 7.9243 125.3114 51.9939 19.2760 178.3829 52 R 4.1678 8.1936 120.7432 59.6456 30.5712 177.1456 53 N 4.9976 7.6804 114.5149 50.2592 39.7235 172.5036 54 P 4.4021 0.0000 0.0000 62.7264 32.0478 176.1512 55 R 4.4168 8.3952 116.6180 56.9028 29.7870 176.4014 56 E 4.5172 7.9626 118.5714 56.3951 31.3096 177.2865 57 K 4.0538 7.7305 118.7486 58.5768 32.2795 178.4248 58 L 4.1378 7.6752 121.8316 57.4101 42.1212 178.4151 59 N 4.3792 8.0625 116.1612 55.9520 38.6949 176.8581 60 E 3.8579 7.8184 120.4221 59.6142 29.6386 178.1777 61 C 4.3743 8.1401 117.0504 59.4798 43.6935 175.0599 62 L 4.0464 7.9548 119.9990 57.0725 41.4200 178.3494 63 E 4.1149 7.7885 118.2979 59.0723 29.8718 178.7691 64 G 4.0502 7.8844 104.7868 45.0275 0.0000 175.1231 65 N 4.4352 8.0993 116.8389 55.6782 38.8607 174.1059 66 C 4.9874 8.0054 110.8005 53.9812 43.7663 172.8551 67 A 4.8880 8.8715 121.5145 50.1039 21.3939 175.1086 68 E 4.5768 8.8914 123.0779 54.8987 32.0906 175.7887 69 G 3.8842 8.8123 114.3014 46.9274 0.0000 174.5316 70 V 3.9470 8.3739 117.8166 61.1694 31.8516 176.1247 71 G 4.2650 8.0539 107.8165 45.9147 0.0000 175.7450 72 M 4.2393 8.2823 118.5797 56.5988 32.0743 177.0455 73 N 4.6657 7.8680 115.6718 52.4789 38.4621 173.9427 74 Y 4.6792 8.1057 122.2457 58.2358 38.9591 175.6362 75 R 4.3058 8.2666 128.4838 55.8231 31.4427 175.5825 76 G 3.6581 5.7484 107.7499 44.4261 0.0000 173.9594 77 N 3.6745 8.1140 115.3968 52.4268 38.9813 175.7117 78 V 3.8068 8.4146 121.3276 63.1076 32.1462 176.3205 79 S 4.8721 8.8770 119.2314 57.7428 64.5306 173.6644 80 V 4.7034 7.5278 114.1748 59.3925 33.9741 176.1174 81 T 4.3125 8.1735 113.4308 61.4357 69.6245 174.0146 82 R 4.0578 8.5383 120.9917 59.8557 30.0418 178.5296 83 S 4.1820 8.2440 112.7113 59.9458 62.8788 175.2792 84 G 4.0535 7.6169 106.3007 45.1106 0.0000 174.0185 85 I 3.9025 7.6719 120.2994 61.7113 38.0784 174.0872 86 E 5.0110 8.2904 120.4585 54.7613 32.0487 176.7119 87 C 4.9315 8.5368 120.5880 57.2085 36.0083 173.3532 88 Q 4.3950 9.2707 124.0069 54.8933 30.4216 175.0520 89 L 4.4770 8.1753 122.8938 54.3114 42.1021 178.7273 90 W 4.2207 8.5325 124.2306 59.4520 29.3775 178.0603 91 R 4.0401 8.1732 114.3928 58.9846 29.1034 177.2659 92 S 4.1881 7.2814 111.1128 58.2580 62.7443 173.3944 93 R 4.3394 8.0676 121.5189 55.6560 30.7645 174.5187 94 Y 4.9247 7.3550 111.9690 56.0816 41.6464 173.3785 95 P 4.7083 0.0000 0.0000 63.5382 31.9209 175.6635 96 H 4.8319 7.9817 115.6018 54.1136 32.6858 172.8174 97 K 4.1061 8.4444 123.0378 54.8418 33.3847 175.1163 98 P 3.7252 0.0000 0.0000 62.1808 31.7418 175.9183 99 E 4.6804 9.4594 117.0323 55.8498 30.8822 175.8934 100 I 4.8161 8.0626 120.9504 59.7029 40.8848 172.2574 101 N 5.2894 8.8199 120.8276 53.2788 36.9662 174.8350 102 S 4.5638 9.1885 112.0589 60.0273 65.4994 175.9069 103 T 3.8632 8.0981 115.4258 66.8936 68.4665 175.4888 104 T 4.1921 8.2591 116.8232 65.8413 68.8141 174.8825 105 H 4.7729 7.4715 116.5295 53.3153 29.3317 171.0702 106 P 4.5645 0.0000 0.0000 63.3379 32.4008 178.3214 107 G 3.5755 8.0941 108.4111 48.0707 0.0000 173.0912 108 A 4.1285 7.7705 122.8515 51.6981 18.2889 177.8930 109 D 4.5878 8.2266 124.3164 55.1848 39.1997 176.6572 110 L 3.7167 7.3078 127.8368 52.8895 41.0606 177.1809 111 R 4.5157 7.4792 116.3413 55.6434 32.9959 176.5930 112 E 3.6021 8.3529 119.4683 57.8878 27.0448 175.4861 113 N 5.7592 7.7820 119.1267 52.3984 37.7651 174.7576 114 F 5.0578 7.6288 115.8048 58.4829 39.7981 175.1776 115 C 4.9042 9.0705 122.5523 57.5023 40.7516 173.1764 116 R 4.3075 8.6596 121.8794 57.8489 32.7077 174.2079 117 N 4.6830 7.4160 114.2272 53.4508 36.0278 172.5664 118 P 4.4832 0.0000 0.0000 65.4490 32.0541 178.1005 119 D 4.5515 7.8726 115.2093 53.0951 39.9624 176.1415 120 G 3.9878 9.8735 108.6862 46.3654 0.0000 174.3671 121 S 4.3190 8.3720 113.1263 57.3836 63.9830 175.1742 122 I 3.6935 8.3349 116.2504 64.0265 37.3275 176.7579 123 T 4.1994 7.8501 108.6726 61.1618 68.9421 174.9305 124 G 4.3523 7.7540 109.1767 43.6178 0.0000 171.1128 125 P 4.5979 0.0000 0.0000 63.1662 32.3701 176.1491 126 W 5.7872 8.2836 120.2684 56.1847 32.5850 171.6520 127 C 4.2724 8.7132 112.4957 55.0043 43.2722 172.3416 128 Y 4.9783 7.4139 116.3272 57.6248 38.9308 175.3453 129 T 4.8014 9.2800 114.2970 60.4864 70.9412 174.9525 130 T 4.0412 8.4471 119.7850 66.9938 68.9190 175.3290 131 S 4.0873 8.3658 117.9983 58.3766 63.0502 173.9014 132 P 4.2095 0.0000 0.0000 65.8159 31.3112 177.9101 133 T 3.9084 8.0747 115.2008 65.8316 68.4701 173.6708 134 L 4.5823 7.3960 123.7149 52.7260 43.0164 175.4304 135 R 3.0990 8.0759 127.9159 58.1164 30.5224 175.4074 136 R 4.9522 7.0812 115.0111 54.6991 32.9883 174.0432 137 E 4.7525 8.6731 117.1148 55.1722 33.8707 174.9250 138 E 4.2540 8.7277 124.6778 57.4534 30.7878 176.6437 139 C 5.3406 8.9649 119.3087 55.3871 43.7459 174.5979 140 S 4.4766 8.6156 115.8040 56.7057 62.0896 173.0506 141 V 4.1232 7.5733 126.5874 60.1820 33.4787 173.7595 142 P 4.3946 0.0000 0.0000 63.0819 32.4678 174.9388 143 V 4.6393 8.0194 121.1288 61.4073 33.2109 176.1071 144 C 4.2159 8.8913 125.9166 57.8446 40.5944 174.2332 145 G 4.2205 8.1837 111.0438 46.0969 0.0000 173.0518 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 1 A 8.26 4.23 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 2 N 8.01 4.00 0.00 3.06 2.96 0.00 0.00 6.77 6.52 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 3 K 8.05 4.29 0.00 1.74 1.82 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 4 G 8.45 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 5 F 8.55 3.27 0.00 3.17 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 6 L 7.86 3.04 0.00 1.59 1.52 -0.53 0.71 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 *9 V 8.18 3.98 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 0.79 0.00 0.00 0.88 0.00 0.00 10 R 7.49 4.70 0.00 1.90 1.86 0.00 3.11 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 11 K 8.47 3.97 0.00 1.71 1.73 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.40 7.81 12 G 8.34 3.69 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 13 N 8.15 4.66 0.00 2.61 2.64 0.00 0.00 6.99 7.78 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 14 L 8.38 3.92 0.00 1.55 1.47 0.38 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 *16 R 7.98 4.19 0.00 1.95 1.98 0.00 3.33 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 *18 C 8.07 4.91 0.00 3.16 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 19 L 7.59 4.42 0.00 1.73 1.75 0.98 0.92 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 *22 P 0.00 4.48 0.00 2.32 2.17 0.00 3.81 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 1.95 2.02 0.00 23 C 8.95 5.12 0.00 3.20 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 24 S 8.48 4.80 0.00 4.02 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 25 R 7.74 3.03 0.00 0.67 1.31 0.00 2.94 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 *28 A 8.12 4.00 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 29 F 8.29 4.06 0.00 3.07 3.07 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 0.00 0.00 0.00 0.00 *31 A 7.93 4.37 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 32 L 8.49 4.48 0.00 1.59 0.65 0.71 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *34 S 8.51 4.20 0.00 4.06 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 35 L 8.30 4.43 0.00 2.24 1.85 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.21 4.12 0.00 4.11 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 37 A 7.97 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.60 4.15 4.60 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 1.42 0.00 0.00 39 D 8.93 4.48 0.00 2.85 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 40 A 7.94 4.32 1.45 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 41 F 8.58 4.05 0.00 3.33 3.25 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 42 W 9.15 4.69 0.00 3.72 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.24 4.05 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 44 K 7.71 3.84 0.00 1.70 1.79 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.75 7.81 45 Y 7.72 4.04 0.00 2.10 2.37 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 46 T 8.10 3.29 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 -0.12 0.00 0.00 47 A 7.25 4.34 1.27 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 48 C 8.05 4.90 0.00 2.86 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 49 E 7.84 3.49 0.00 1.80 1.71 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 2.10 2.16 0.00 50 S 7.79 4.41 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.92 4.73 1.27 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 52 R 8.19 4.17 0.00 1.77 1.98 0.00 2.90 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 53 N 7.68 5.00 0.00 2.74 2.74 0.00 0.00 6.07 7.75 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 54 P 0.00 4.40 0.00 2.27 2.04 0.00 3.58 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 2.11 2.07 0.00 55 R 8.40 4.42 0.00 1.80 1.92 0.00 3.27 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 56 E 7.96 4.52 0.00 2.09 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 2.27 2.38 0.00 57 K 7.73 4.05 0.00 1.88 1.88 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.43 7.81 58 L 7.68 4.14 0.00 2.05 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.06 4.38 0.00 2.82 2.86 0.00 0.00 6.78 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 60 E 7.82 3.86 0.00 2.04 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 2.31 2.32 0.00 61 C 8.14 4.37 0.00 3.06 3.08 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 62 L 7.95 4.05 0.00 1.76 1.73 1.04 0.75 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 63 E 7.79 4.11 0.00 2.29 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 0.00 2.47 2.52 0.00 64 G 7.88 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 0.00 0.00 0.00 65 N 8.10 4.44 0.00 2.76 2.94 0.00 0.00 6.91 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 66 C 8.01 4.99 0.00 3.05 3.09 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 67 A 8.87 4.89 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 68 E 8.89 4.58 0.00 2.06 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 2.23 2.30 0.00 69 G 8.81 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 0.00 0.00 0.00 70 V 8.37 3.95 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 0.76 0.00 0.00 0.94 0.00 0.00 71 G 8.05 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 72 M 8.28 4.24 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.77 0.00 73 N 7.87 4.67 0.00 2.97 3.00 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 74 Y 8.11 4.68 0.00 2.82 3.03 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 75 R 8.27 4.31 0.00 1.63 1.68 0.00 3.11 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 76 G 5.75 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 77 N 8.11 3.67 0.00 2.57 2.64 0.00 0.00 6.74 7.68 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 78 V 8.41 3.81 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 1.11 0.00 0.00 1.00 0.00 0.00 79 S 8.88 4.87 0.00 4.12 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 0.00 80 V 7.53 4.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.00 0.00 0.00 81 T 8.17 4.31 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 1.29 0.00 0.00 82 R 8.54 4.06 0.00 1.93 2.01 0.00 3.27 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 1.64 1.60 0.00 83 S 8.24 4.18 0.00 3.94 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 84 G 7.62 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 0.00 0.00 0.00 85 I 7.67 3.90 1.89 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 1.43 0.58 0.93 0.00 0.00 86 E 8.29 5.01 0.00 1.87 1.84 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 2.32 2.26 0.00 87 C 8.54 4.93 0.00 3.08 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 88 Q 9.27 4.40 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 89 L 8.18 4.48 0.00 1.75 1.66 0.86 0.86 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 90 W 8.53 4.22 0.00 3.23 3.26 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 91 R 8.17 4.04 0.00 1.94 2.10 0.00 3.05 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 92 S 7.28 4.19 0.00 3.85 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 93 R 8.07 4.34 0.00 1.46 1.26 0.00 2.76 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.25 0.00 94 Y 7.35 4.92 0.00 2.98 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.71 0.00 2.01 2.12 0.00 3.88 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 1.99 0.00 96 H 7.98 4.83 0.00 3.02 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.44 4.11 0.00 1.75 1.65 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 98 P 0.00 3.73 0.00 2.21 1.25 0.00 3.41 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 2.09 1.61 0.00 99 E 9.46 4.68 0.00 2.09 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 2.33 2.49 0.00 100 I 8.06 4.82 2.27 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 0.91 0.00 0.00 101 N 8.82 5.29 0.00 2.79 2.14 0.00 0.00 6.05 7.64 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 0.00 102 S 9.19 4.56 0.00 3.86 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 0.00 103 T 8.10 3.86 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 1.23 0.00 0.00 104 T 8.26 4.19 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 1.29 0.00 0.00 105 H 7.47 4.77 0.00 3.07 3.18 0.00 5.64 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 0.00 106 P 0.00 4.56 0.00 2.19 2.28 0.00 3.78 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 1.96 1.96 0.00 107 G 8.09 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.13 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 0.00 109 D 8.23 4.59 0.00 2.56 2.53 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 0.00 110 L 7.31 3.72 0.00 1.35 1.21 -0.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.48 4.52 0.00 2.01 2.06 0.00 3.36 0.00 0.00 3.51 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 112 E 8.35 3.60 0.00 1.16 1.12 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 1.61 1.47 0.00 113 N 7.78 5.76 0.00 2.74 2.72 0.00 0.00 6.44 7.43 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 0.00 114 F 7.63 5.06 0.00 3.33 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 0.00 115 C 9.07 4.90 0.00 3.29 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 0.00 116 R 8.66 4.31 0.00 1.15 1.51 0.00 3.36 0.00 0.00 2.95 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.02 0.00 117 N 7.42 4.68 0.00 3.07 2.95 0.00 0.00 6.86 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 0.00 118 P 0.00 4.48 0.00 2.00 1.97 0.00 4.12 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.54 0.00 119 D 7.87 4.55 0.00 2.90 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 0.00 120 G 9.87 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 0.00 121 S 8.37 4.32 0.00 3.88 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.33 3.69 1.85 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 1.44 0.43 0.90 0.00 0.00 123 T 7.85 4.20 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 1.18 0.00 0.00 124 G 7.75 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 0.00 0.00 0.00 0.00 125 P 0.00 4.60 0.00 2.10 2.21 0.00 3.81 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 126 W 8.28 5.79 0.00 3.56 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 0.00 127 C 8.71 4.27 0.00 2.45 3.09 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 0.00 128 Y 7.41 4.98 0.00 2.62 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 0.00 129 T 9.28 4.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 130 T 8.45 4.04 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 1.22 0.00 0.00 131 S 8.37 4.09 0.00 3.92 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 0.00 132 P 0.00 4.21 0.00 2.15 2.16 0.00 3.53 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 1.99 2.10 0.00 133 T 8.07 3.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 134 L 7.40 4.58 0.00 1.52 1.56 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.08 3.10 0.00 1.81 1.72 0.00 3.41 0.00 0.00 3.54 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 136 R 7.08 4.95 0.00 1.62 1.69 0.00 2.70 0.00 0.00 2.80 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.35 0.00 137 E 8.67 4.75 0.00 2.05 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 2.14 2.20 0.00 138 E 8.73 4.25 0.00 2.03 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 0.00 2.41 2.44 0.00 139 C 8.96 5.34 0.00 3.07 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 0.00 140 S 8.62 4.48 0.00 3.92 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 0.00 141 V 7.57 4.12 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 -0.59 0.00 0.00 0.55 0.00 0.00 142 P 0.00 4.39 0.00 2.11 2.12 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 143 V 8.02 4.64 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 0.84 0.00 0.00 0.92 0.00 0.00 144 C 8.89 4.22 0.00 2.87 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 0.00 145 G 8.18 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.