NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3194 8.2649 123.5756 52.0902 19.9155 176.7231 6 H 4.3204 8.6398 120.2979 52.7060 29.5791 172.9887 7 P 4.4850 0.0000 0.0000 63.0651 32.6223 176.0046 8 I 4.3604 7.9687 111.9389 60.7727 38.3956 174.9375 9 S 4.7999 7.3022 113.1871 57.8695 64.8045 174.7081 10 R 4.0229 9.1951 125.2721 58.3624 30.0549 176.2955 11 Y 4.4081 7.6230 114.6225 55.1066 39.7735 173.4109 12 P 4.2418 0.0000 0.0000 63.0696 31.7954 176.4956 13 V 4.2971 8.1317 121.7136 60.2001 32.3733 173.6388 14 P 4.5078 0.0000 0.0000 62.1828 32.1814 176.1653 15 E 4.1150 8.5758 120.3683 56.1798 30.0172 178.0574 16 L 3.8376 8.5881 124.4997 57.8892 42.3344 177.0873 17 A 4.4674 7.9323 119.6391 52.1845 18.4051 177.0313 18 A 4.6666 8.1989 118.6564 52.8693 20.1818 176.8688 19 L 4.7004 7.5272 115.7610 52.1354 44.3915 175.0717 20 P 4.2258 0.0000 0.0000 63.3509 32.7990 177.2137 21 D 4.4060 8.8461 121.9068 57.7820 40.6740 179.0482 22 D 4.3923 8.0220 118.7357 56.0005 39.5062 178.6700 23 I 3.6272 7.4056 121.0271 64.2262 37.3855 177.8612 24 R 3.8594 8.1281 119.3227 59.4936 29.8186 178.7660 25 Q 3.8917 8.1823 118.9801 59.2974 29.1179 178.4038 26 R 3.8504 7.7817 119.6313 59.3376 30.0973 178.5155 27 I 3.3893 8.0097 122.1129 64.9023 37.3208 178.7363 28 L 3.9704 8.3243 123.3801 59.5981 40.7213 181.0889 29 E 4.0605 8.3333 120.2741 59.2311 29.5894 179.4137 30 V 3.4406 7.5138 119.1442 64.5628 31.3098 177.7028 31 Q 3.7895 8.2949 120.6092 59.2126 28.5385 178.6713 32 D 4.3270 7.7543 120.1316 57.9539 41.0378 179.0904 33 K 4.0401 7.6351 122.1950 59.5193 31.7641 179.9643 34 A 4.5671 8.1864 120.4276 51.5430 19.6692 178.2274 35 G 3.9821 9.3654 104.9044 44.9335 0.0000 172.7388 36 F 4.5061 6.7544 111.6617 56.2796 39.8274 173.7053 37 V 3.9603 8.3690 121.5903 60.3281 31.5879 173.5744 38 P 5.0582 0.0000 0.0000 63.5192 31.9624 177.5654 39 N 4.7235 10.2866 120.3897 55.6401 38.3733 178.0750 40 V 3.4051 7.9964 122.3228 64.1454 31.2506 178.1520 41 F 4.4361 8.2817 118.1747 60.4613 38.6158 177.7710 42 L 4.2185 8.1980 116.9359 57.7596 41.5527 179.2331 43 T 4.1229 8.1080 109.9306 64.8635 69.0550 176.9698 44 L 4.0897 8.1655 121.3778 56.5361 41.3996 178.9279 45 A 4.1606 7.9007 120.2657 54.7500 18.2534 178.4320 46 H 4.4122 7.8215 116.0765 57.8684 31.0227 175.2644 47 R 4.4908 7.9334 120.8007 52.8838 30.1848 174.0734 48 P 4.2877 0.0000 0.0000 65.7430 31.3115 177.6089 49 D 4.5124 8.1223 116.9816 57.0073 40.7786 178.5547 50 E 4.1161 8.2016 118.9576 59.1759 29.6465 178.2356 51 F 4.0029 8.3730 120.8481 61.7516 39.3257 177.2967 52 R 4.3060 8.4908 116.7796 59.7069 29.9476 178.9965 53 A 4.1064 7.8638 118.8654 54.9584 18.2784 179.3116 54 F 3.9723 8.8396 119.5141 61.7212 39.4846 177.5241 55 F 4.2613 8.5187 117.3282 60.1903 38.6026 177.6440 56 A 4.0246 8.5797 121.0590 55.4239 18.0801 179.1162 57 Y 3.7425 8.1284 118.2017 60.7913 38.5785 177.3217 58 H 3.2797 7.4891 118.3654 59.2585 29.8873 176.5754 59 D 4.4813 8.6570 120.5267 57.4021 40.4744 178.6496 60 A 4.1630 8.0359 120.1347 54.3221 18.2571 178.6383 61 L 4.4618 7.1409 115.2026 55.0952 42.1690 177.3350 *63 L 4.3459 7.8172 120.6904 54.2639 43.5762 177.5535 64 K 3.9563 7.1523 117.0944 57.0226 32.7854 175.8815 65 D 4.5563 8.3959 119.7738 54.0006 41.5918 176.1457 66 G 4.0238 7.9326 110.5583 45.0779 0.0000 173.4864 67 G 3.9896 8.6461 107.1272 47.3836 0.0000 174.3688 68 L 4.5222 7.7909 120.0570 54.1203 42.6952 177.4332 69 T 4.1912 9.0765 114.6745 61.0688 70.7764 175.9622 70 K 3.9133 8.3806 120.6618 59.6018 31.7214 179.8857 71 G 3.8401 7.7957 105.6850 47.2624 0.0000 175.1698 72 E 4.1730 8.1414 120.1208 59.2765 29.6538 179.2039 73 R 4.1231 7.9657 117.9893 59.0555 30.1929 179.0955 74 E 4.1318 7.9500 118.6428 56.5484 29.3602 179.2166 *76 I 3.9299 7.9378 120.8753 61.4646 39.5023 178.5187 77 V 3.2215 7.2420 119.4250 65.9017 31.2265 178.2134 78 V 3.4601 7.8942 117.9893 65.8958 31.1959 177.8745 79 A 3.9585 7.7786 120.2495 55.3647 17.8298 179.5070 80 T 3.9172 7.8681 108.0332 64.5632 68.8972 177.1944 81 S 4.7299 8.4966 119.5901 60.5688 62.8248 176.3112 82 A 3.9503 7.9849 123.3914 55.1197 17.9343 179.5162 83 A 3.9740 7.6673 118.0200 54.6461 18.4442 178.5548 84 N 4.6468 7.5014 111.4334 51.9292 39.5325 174.8472 85 Q 3.2517 7.8763 118.6079 56.9253 27.1257 175.3400 86 C 5.0229 8.1007 120.0820 56.9649 32.0667 172.0440 87 L 3.8886 8.3803 130.0547 58.3722 41.7648 177.7288 88 Y 3.8509 8.0303 118.5449 61.2289 38.9213 177.9585 89 C 4.2415 8.1767 116.8588 62.3384 28.3753 176.2987 90 V 3.4588 7.6808 120.1848 65.8785 31.0609 178.2786 91 V 3.2671 7.4082 117.6539 65.7296 31.0199 177.8375 92 A 2.5800 7.1887 120.2801 55.0327 18.0590 179.0419 93 H 4.2679 7.8093 113.0745 57.3920 28.8158 178.1144 94 G 3.5080 7.7716 107.9022 47.2810 0.0000 175.6762 95 A 3.9982 7.5611 123.2164 55.2595 18.4117 179.8512 96 I 3.4239 7.3286 117.8590 64.0968 37.0342 178.2793 97 L 3.9601 8.0362 121.5981 58.4975 41.9354 179.1706 98 R 4.1656 8.0385 119.2177 58.7468 29.7422 179.0743 99 I 3.6631 7.3249 117.9364 64.6066 37.2386 177.7348 100 Y 4.6058 7.8076 116.6092 61.4396 37.7189 178.4927 101 E 4.1724 8.7618 118.6567 56.5907 29.5014 177.3606 102 K 3.6317 7.8847 117.1151 57.3951 30.5635 175.8769 103 K 4.4800 7.7221 117.9469 53.9008 33.3485 175.4794 104 P 4.4735 0.0000 0.0000 64.4526 31.7264 178.4558 105 L 4.3917 7.8342 118.0148 56.3884 42.0623 178.8066 106 V 3.8325 7.8416 118.7027 64.8339 31.0672 178.1891 107 A 3.9472 7.9408 120.6944 55.1047 18.3556 179.0932 108 D 4.3211 8.0830 116.8909 57.6215 40.8312 178.9882 109 Q 3.9781 7.9076 118.3461 59.0824 28.5375 179.0832 110 V 3.6680 7.8900 117.9459 65.8104 31.5952 177.6518 111 A 4.1224 8.0313 120.1195 54.7940 18.2781 179.3454 112 V 3.9704 7.5487 115.6698 64.5558 33.0797 176.1152 113 N 4.5929 8.4418 114.0404 52.2988 41.0798 173.4853 114 Y 4.2531 8.3405 122.4456 59.6154 38.1214 179.8162 115 L 3.8045 7.2205 118.6505 56.5901 41.7329 177.6797 116 K 4.4992 7.9622 116.6681 55.8004 32.7662 176.0996 117 A 4.4465 7.6759 121.7878 52.0154 19.4135 179.0626 118 D 4.7452 9.1573 122.2853 52.9868 39.3096 176.1015 119 I 4.7211 7.1397 113.1734 57.4129 41.5061 174.9397 120 P 4.6016 0.0000 0.0000 61.6774 33.5400 175.3031 121 P 4.2722 0.0000 0.0000 65.9581 30.9722 178.8962 122 R 3.8233 8.0216 113.1609 59.6694 29.1823 178.4288 123 Q 4.2506 7.9321 117.1905 58.2489 29.0988 177.9746 124 R 4.1846 8.0609 119.7352 59.2016 30.3162 180.5016 125 A 4.5000 8.1554 121.4261 52.0004 18.4066 179.3052 *127 L 4.0154 7.9884 123.0478 56.3652 44.1720 179.2362 128 D 4.4130 8.4146 118.8589 57.4834 40.7018 178.8147 129 F 4.0589 8.0690 120.2936 61.0425 39.3360 177.0583 130 A 3.7811 7.7818 119.9560 55.1984 18.1503 179.4806 131 L 3.8190 8.1059 117.8540 57.6264 41.5247 179.6929 132 K 3.7915 7.7191 119.2981 59.3991 31.8817 179.1306 133 V 3.3201 7.1472 117.5833 65.4652 31.3643 177.5161 134 C 4.1294 7.7676 118.0910 62.0597 31.6459 174.9041 135 K 4.4380 7.9772 116.6918 56.2571 33.9486 176.8206 136 A 4.7163 8.1798 123.8509 50.7273 19.3467 177.9678 137 S 4.1054 8.0237 118.1397 61.4432 63.8100 176.4637 138 H 4.2417 8.1865 115.6751 57.8146 28.3553 175.6766 139 E 4.2592 7.6071 118.0017 55.9579 29.7346 176.5747 140 V 3.8277 7.1998 120.5088 63.0821 32.0272 174.6091 141 N 5.2051 9.4478 123.2738 50.2501 40.7914 174.8640 142 E 4.1050 9.1078 116.9304 59.8953 29.3443 179.5711 143 A 4.0727 8.0458 120.0607 54.9547 18.4289 179.3304 144 D 4.4099 8.6422 117.9053 57.0032 40.8176 178.6730 145 F 4.1723 8.0582 117.9434 59.9508 39.2826 177.3442 146 E 3.9807 8.6172 118.9684 59.2081 28.8136 178.6965 147 A 4.0167 7.9950 120.6432 55.3061 18.6019 179.6678 148 L 4.2968 7.5136 116.0299 57.9915 41.5660 180.0130 149 R 4.5858 8.1673 119.4329 58.8854 29.8287 178.7473 150 E 3.8944 8.3086 117.5364 59.0648 29.4093 178.2143 151 H 4.8316 7.5480 114.6141 55.2453 29.3076 175.7969 152 G 3.8620 8.7237 110.9294 45.1266 0.0000 174.6012 153 F 4.4881 7.8549 118.6091 57.6057 39.7401 174.7826 154 T 4.9053 8.5142 113.8853 60.4730 72.0664 175.6463 155 D 4.6006 8.4933 120.1668 57.2350 40.8914 178.7039 156 E 4.1946 8.2233 118.8321 59.0668 29.5191 178.6662 157 D 4.4919 8.2176 119.2358 57.0174 40.8097 178.5112 158 A 3.7437 8.0928 121.4616 54.7870 18.3901 179.2721 159 W 4.1929 8.4528 126.8990 60.8813 30.7247 177.7349 160 D 4.5799 8.2175 118.2055 57.6874 40.4634 178.9753 161 I 3.7224 8.1405 120.1069 64.3502 37.1048 178.4673 162 A 3.9310 8.5235 121.6030 55.1309 18.2741 179.5842 163 A 4.0693 8.7805 119.6682 55.2086 18.4346 180.0452 164 I 3.8760 7.9609 118.4776 64.8339 37.2390 178.6890 165 T 3.8143 7.8186 115.8892 66.6273 67.8586 176.3570 166 A 3.9053 8.3200 122.9770 55.2697 18.3897 179.5430 167 F 3.7624 8.2016 118.9378 61.2237 39.4151 177.1812 168 F 3.9616 8.9165 116.7420 58.9550 38.6206 177.9273 169 G 3.4632 8.0216 106.5799 47.4337 0.0000 175.5298 170 L 3.7394 6.8160 120.6287 57.7677 42.1306 178.6871 171 S 4.0779 7.0203 111.3153 61.4578 62.6522 175.2079 172 N 4.4939 8.1247 119.4065 56.5999 38.3181 178.3004 173 R 4.1923 7.9759 116.7016 56.5488 30.0871 178.5592 *175 A 4.1141 7.9419 123.2866 52.3999 20.8629 179.7212 176 N 4.3600 8.3460 113.2401 56.8976 38.8728 177.7815 177 T 3.8603 7.9862 113.8363 66.3790 68.7080 175.3119 178 I 4.2207 7.7785 112.1540 59.7710 38.3934 171.6684 179 G 4.0315 7.6345 117.6560 44.9666 0.0000 173.4523 *181 R 4.2103 8.3844 122.5643 55.1053 30.9571 173.2205 182 P 4.6956 0.0000 0.0000 62.3505 32.3864 176.0288 183 N 4.6475 9.2526 118.9707 53.3482 39.5053 175.6235 184 D 4.6652 8.9551 121.4053 57.9372 41.1935 178.8117 185 E 3.7246 8.0465 118.0919 59.6715 29.0106 179.4171 186 F 4.4602 7.3543 115.4996 60.5269 38.9049 177.4551 187 F 4.4296 8.2724 116.8903 58.7926 39.8563 175.4991 188 L 4.3730 7.6094 120.9179 53.2298 40.4737 176.5651 *190 G 3.9987 8.0243 108.1284 44.4510 0.0000 171.3005 191 R 4.0614 7.7831 118.9605 57.2419 30.6114 176.5488 192 V 4.1193 7.5754 117.4518 60.3840 31.5058 173.5469 193 P 4.4548 0.0000 0.0000 62.9846 31.4170 176.1702 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 5 A 8.26 4.32 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 6 H 8.64 4.32 0.00 3.27 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.48 0.00 2.36 2.08 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 8 I 7.97 4.36 1.97 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 1.37 0.75 1.02 0.00 0.00 9 S 7.30 4.80 0.00 3.82 3.84 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 10 R 9.20 4.02 0.00 1.87 2.04 0.00 3.28 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 11 Y 7.62 4.41 0.00 2.87 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 12 P 0.00 4.24 0.00 2.13 2.05 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 13 V 8.13 4.30 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 0.97 0.00 0.00 0.98 0.00 0.00 14 P 0.00 4.51 0.00 2.23 2.07 0.00 4.09 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 15 E 8.58 4.12 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 2.42 2.25 0.00 16 L 8.59 3.84 0.00 1.59 1.70 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.93 4.47 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 18 A 8.20 4.67 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 19 L 7.53 4.70 0.00 1.56 1.47 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.23 0.00 2.14 1.97 0.00 3.50 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 2.05 2.16 0.00 21 D 8.85 4.41 0.00 2.80 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 22 D 8.02 4.39 0.00 2.90 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 23 I 7.41 3.63 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.13 0.00 0.00 24 R 8.13 3.86 0.00 1.96 1.97 0.00 3.21 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 25 Q 8.18 3.89 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 26 R 7.78 3.85 0.00 1.96 2.18 0.00 3.32 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 27 I 8.01 3.39 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.85 0.00 0.00 28 L 8.32 3.97 0.00 1.59 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.33 4.06 0.00 2.24 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 0.00 2.31 2.19 0.00 30 V 7.51 3.44 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 0.04 0.00 0.00 0.65 0.00 0.00 31 Q 8.29 3.79 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 32 D 7.75 4.33 0.00 2.79 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 33 K 7.64 4.04 0.00 1.89 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.34 7.81 34 A 8.19 4.57 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 35 G 9.37 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 0.00 0.00 0.00 36 F 6.75 4.51 0.00 3.10 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 37 V 8.37 3.96 2.18 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 0.92 0.00 0.00 0.92 0.00 0.00 38 P 0.00 5.06 0.00 2.88 2.78 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 39 N 10.29 4.72 0.00 3.15 3.02 0.00 0.00 6.56 7.29 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 40 V 8.00 3.41 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.50 0.00 0.00 41 F 8.28 4.44 0.00 3.36 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 42 L 8.20 4.22 0.00 1.75 1.84 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.11 4.12 4.18 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 1.32 0.00 0.00 44 L 8.17 4.09 0.00 1.79 1.69 -0.58 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.90 4.16 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 46 H 7.82 4.41 0.00 3.32 3.44 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.93 4.49 0.00 1.84 1.81 0.00 3.31 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 48 P 0.00 4.29 0.00 2.15 2.06 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 49 D 8.12 4.51 0.00 2.80 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 50 E 8.20 4.12 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 51 F 8.37 4.00 0.00 3.37 3.40 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 52 R 8.49 4.31 0.00 2.25 2.16 0.00 3.27 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.17 0.00 53 A 7.86 4.11 1.48 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 0.00 0.00 54 F 8.84 3.97 0.00 2.95 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 55 F 8.52 4.26 0.00 3.15 3.03 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.60 1.44 7.81 65 D 8.40 4.56 0.00 2.93 2.62 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 0.00 0.00 0.00 66 G 7.93 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 0.00 0.00 0.00 67 G 8.65 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 68 L 7.79 4.52 0.00 1.70 1.67 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 T 9.08 4.19 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 70 K 8.38 3.91 0.00 1.31 0.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.08 7.81 71 G 7.80 3.84 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 0.00 72 E 8.14 4.17 0.00 2.25 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 0.00 2.42 2.40 0.00 73 R 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0.00 0.00 0.00 2.47 2.49 0.00 124 R 8.06 4.18 0.00 2.06 2.10 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 125 A 8.16 4.50 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 L 7.99 4.02 0.00 1.52 1.00 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.41 4.41 0.00 2.87 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 0.00 129 F 8.07 4.06 0.00 2.94 2.84 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 0.00 130 A 7.78 3.78 1.21 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 0.00 0.00 131 L 8.11 3.82 0.00 1.63 1.69 0.88 0.47 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 0.00 132 K 7.72 3.79 0.00 1.71 1.63 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.31 7.81 133 V 7.15 3.32 1.72 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 0.66 0.00 0.00 0.15 0.00 0.00 134 C 7.77 4.13 0.00 3.02 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 0.00 135 K 7.98 4.44 0.00 1.69 1.79 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.54 7.81 136 A 8.18 4.72 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.02 4.11 0.00 3.91 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 H 8.19 4.24 0.00 3.28 3.45 0.00 5.51 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.61 4.26 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.70 0.00 140 V 7.20 3.83 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.73 0.00 0.00 141 N 9.45 5.21 0.00 2.98 2.92 0.00 0.00 6.66 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 9.11 4.10 0.00 2.06 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 2.44 2.36 0.00 143 A 8.05 4.07 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 0.00 144 D 8.64 4.41 0.00 2.88 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 0.00 145 F 8.06 4.17 0.00 3.23 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 0.00 146 E 8.62 3.98 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 147 A 7.99 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.51 4.30 0.00 1.82 1.69 -0.18 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.17 4.59 0.00 2.04 2.02 0.00 3.19 0.00 0.00 3.48 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.80 0.00 150 E 8.31 3.89 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 151 H 7.55 4.83 0.00 3.65 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.72 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 0.00 153 F 7.85 4.49 0.00 3.26 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 0.00 154 T 8.51 4.91 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 0.00 155 D 8.49 4.60 0.00 2.74 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 0.00 156 E 8.22 4.19 0.00 2.00 1.98 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 2.40 2.30 0.00 157 D 8.22 4.49 0.00 3.14 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 0.00 158 A 8.09 3.74 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 0.00 159 W 8.45 4.19 0.00 3.58 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 0.00 160 D 8.22 4.58 0.00 3.17 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 8.14 3.72 2.13 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.15 0.99 0.00 0.00 162 A 8.52 3.93 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 0.00 163 A 8.78 4.07 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 0.00 0.00 164 I 7.96 3.88 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.67 0.94 0.00 0.00 165 T 7.82 3.81 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 166 A 8.32 3.91 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 0.00 167 F 8.20 3.76 0.00 2.61 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 0.00 168 F 8.92 3.96 0.00 3.19 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 0.00 169 G 8.02 3.46 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 0.00 170 L 6.82 3.74 0.00 1.41 1.36 0.79 0.81 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 0.00 171 S 7.02 4.08 0.00 3.20 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.12 4.49 0.00 2.92 2.85 0.00 0.00 7.13 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 0.00 173 R 7.98 4.19 0.00 1.82 1.87 0.00 3.08 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 *175 A 7.94 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 0.00 176 N 8.35 4.36 0.00 2.83 2.87 0.00 0.00 7.09 7.14 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 0.00 177 T 7.99 3.86 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 1.24 0.00 0.00 178 I 7.78 4.22 1.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.76 0.00 0.00 179 G 7.63 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 *181 R 8.38 4.21 0.00 1.92 2.04 0.00 3.48 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 182 P 0.00 4.70 0.00 1.98 1.67 0.00 4.03 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 183 N 9.25 4.65 0.00 2.55 2.72 0.00 0.00 7.12 8.08 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 0.00 184 D 8.96 4.67 0.00 2.72 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 0.00 185 E 8.05 3.72 0.00 1.16 1.28 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 1.50 2.08 0.00 186 F 7.35 4.46 0.00 2.96 2.90 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 0.00 187 F 8.27 4.43 0.00 3.13 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 0.00 188 L 7.61 4.37 0.00 1.80 1.57 0.94 1.04 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 *190 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 4.06 0.00 1.80 2.01 0.00 3.40 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 192 V 7.58 4.12 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 0.85 0.00 0.00 0.94 0.00 0.00 193 P 0.00 4.45 0.00 2.23 2.03 0.00 3.86 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 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.