NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4184 8.3193 115.4054 57.7456 65.1827 174.0401 4 I 3.5612 7.5572 115.3989 58.8219 37.7602 174.4858 5 S 4.4033 9.1391 119.8353 58.0095 64.9406 175.1896 6 E 4.1740 8.5729 120.0423 58.8409 29.8383 179.1389 7 K 4.2591 7.7726 117.5332 57.1189 32.6100 179.0360 *9 V 3.9676 7.9516 120.9915 63.9165 33.2886 176.8784 10 E 4.0099 8.3189 119.7437 59.1972 29.3512 178.6872 11 A 4.0237 8.0206 120.7011 54.9987 18.5068 179.5810 12 L 4.0227 7.9166 117.1055 58.1157 41.7933 179.3719 13 N 4.5117 8.3773 116.5054 56.2956 38.3965 177.7935 14 R 4.0224 8.4340 119.9523 59.1658 30.1332 178.8291 15 Q 4.0139 8.0805 119.1317 59.0314 29.0086 178.2631 16 I 3.8383 7.9542 121.1659 64.3095 37.0639 177.8320 17 N 4.4187 8.3677 117.6651 56.7778 38.8233 176.8507 18 A 4.1293 8.4324 122.4498 55.0999 18.3993 179.4831 19 E 4.1400 8.4380 117.4447 59.4603 29.6695 179.5246 20 I 3.7596 7.9870 120.0388 64.4972 37.0787 177.5837 21 Y 4.2132 8.4216 120.6724 61.0212 38.5435 178.5457 22 S 3.7190 8.2897 115.6505 61.3760 62.9618 176.2665 23 A 4.2748 8.0109 123.4659 55.7931 18.0414 179.0677 24 Y 4.5137 7.8998 117.4523 60.2247 38.6201 177.3553 25 L 3.6503 7.7134 121.0963 58.3301 42.2010 178.3236 26 Y 4.5644 7.2476 115.0707 61.0722 38.1515 177.9583 27 L 3.9593 8.5265 121.7282 57.8467 42.1090 179.8152 28 S 4.2398 8.0453 112.1982 58.4198 62.3827 175.7257 *30 A 4.4980 8.0084 124.3637 51.8397 20.5687 179.7735 31 S 4.1107 7.9690 109.4479 61.6132 62.2902 175.7446 32 Y 4.1560 8.0171 122.0216 60.9293 38.5965 178.2315 33 F 4.1161 8.0748 118.1415 60.4439 39.0074 177.0782 34 D 4.4758 8.6282 119.3039 57.6311 40.4703 179.0095 35 S 4.3861 7.8725 112.8850 59.7790 63.1306 174.8015 36 I 4.2820 6.7319 113.9293 60.4634 37.5080 175.9629 37 G 3.8834 8.0662 106.9631 47.3982 0.0000 175.9249 38 L 4.6930 7.6567 121.9332 52.9660 39.7980 176.9580 39 K 4.2787 8.1175 122.2011 58.4162 32.5229 178.9068 40 G 4.0201 8.1977 107.6565 47.5041 0.0000 175.9080 41 F 3.7564 8.2814 118.9646 59.7418 38.7767 177.3876 42 S 4.4117 7.9723 112.1751 61.3650 62.5191 175.0692 43 N 4.4856 8.3788 120.1173 56.6467 38.5724 176.8937 44 W 4.2234 8.0575 126.3954 58.6269 31.0931 177.3433 *46 R 4.3958 7.9119 117.9908 55.9197 31.8000 177.9255 47 V 3.5672 7.9736 117.0915 66.1512 31.3308 177.8747 48 Q 3.7801 7.9281 119.1038 58.2106 28.7541 177.6959 49 W 4.4200 8.3206 129.2963 60.8069 30.5955 177.6491 50 Q 3.5562 7.7573 115.9622 58.8485 28.1786 178.3573 51 E 3.9739 7.8219 119.2352 59.3504 29.9976 178.4872 52 E 4.1330 8.6326 119.0586 58.9484 29.2259 179.6539 53 L 3.9196 7.3924 115.8772 55.6707 41.6603 177.8258 *55 H 4.8834 8.1498 117.6776 56.1489 30.4850 175.4821 56 A 4.2811 8.0227 118.8440 52.7502 17.0066 177.5435 *58 K 4.0953 8.0156 118.3749 57.9026 33.6773 177.3023 *60 F 4.7663 8.0857 120.1316 57.9281 41.1095 176.7797 61 D 4.5722 8.2626 119.7441 57.1897 40.5066 178.3517 62 F 4.0277 7.9976 120.7266 60.6671 39.1577 177.5183 63 V 3.2243 7.5759 117.5482 66.0560 31.4156 177.7605 64 S 4.2280 7.2738 112.6267 60.7542 61.8695 175.7698 65 E 3.8696 7.5047 121.1232 58.8722 29.4898 178.2404 66 R 3.9258 7.4930 116.1838 56.6420 30.2445 177.2895 67 G 3.8105 7.7424 107.6653 45.0273 0.0000 173.7984 68 G 3.8402 7.9021 110.0021 43.7982 0.0000 172.6377 69 R 4.3539 7.9258 118.2981 53.8936 32.2368 175.0232 70 V 4.3011 8.0391 124.9052 61.9640 32.1192 174.6688 71 K 4.3071 8.4644 127.8035 54.3330 33.8078 174.9310 72 L 4.3971 8.1789 126.3703 53.8825 42.7479 175.5973 73 Y 4.8784 8.2060 119.5840 55.4741 41.0791 175.3553 74 A 4.1355 8.5805 123.9500 52.4829 19.0275 177.2334 75 V 4.3624 8.0534 120.2649 60.8623 32.7107 175.8728 76 E 4.1977 8.7769 127.0876 55.8499 30.0203 176.4117 77 E 4.1252 8.8588 123.4956 56.0561 29.9705 175.0178 78 P 5.1233 0.0000 0.0000 60.0306 32.9286 173.7817 79 P 4.3280 0.0000 0.0000 62.9589 31.5504 176.2185 80 S 4.6185 7.8717 110.8610 57.4733 64.4168 173.5679 81 E 4.6431 6.9965 118.9137 54.4084 32.8689 174.6294 82 W 4.8842 7.4867 118.6667 55.0723 33.1631 176.1561 83 D 4.5087 8.8852 120.4013 56.6414 40.7991 177.0248 84 S 4.8424 7.3825 114.7938 56.2889 67.1647 175.8053 85 P 4.5180 0.0000 0.0000 65.9533 30.9694 178.5975 86 L 4.0144 8.0119 118.0609 58.2739 42.2335 178.6493 87 A 4.0812 8.2168 120.4296 55.1992 18.2714 179.5134 88 A 3.2726 8.0351 119.3828 54.9644 18.2883 179.6370 89 F 3.8127 8.3014 115.6122 59.6389 39.0612 178.1241 90 E 4.0976 8.5146 119.0002 59.5669 29.1826 178.6314 91 H 4.2770 8.2400 117.8650 59.2788 29.9772 177.1071 92 V 3.9352 7.7705 120.0469 66.4690 31.2370 177.1632 93 Y 4.2268 8.3974 119.0328 60.9693 38.6434 178.1082 94 E 3.9197 8.6340 119.4128 59.5990 29.5090 178.6353 95 H 4.1202 9.3083 119.3325 59.6185 29.8372 177.1590 96 E 4.0428 8.7048 120.6415 59.3522 29.2718 179.4966 97 V 3.3985 7.9767 118.8598 65.8382 31.5613 177.5907 98 N 4.3347 8.0533 116.8904 56.1250 38.7142 177.0997 99 V 3.5808 8.0167 120.2663 66.2722 31.5366 178.0120 100 T 3.8630 8.1286 115.6651 66.6197 68.3219 176.1948 101 K 3.7760 8.0004 121.3981 59.7038 32.1767 178.7391 102 R 3.9283 7.8830 118.6229 59.3997 30.0203 178.4717 103 I 3.7209 8.0198 119.7940 64.8595 37.1204 178.1868 104 H 4.2533 8.7689 117.2555 58.7630 28.2088 177.7846 105 E 4.0496 8.0439 120.0330 59.3059 29.3530 178.9127 106 L 4.1635 7.6193 118.1355 57.6474 41.7079 179.5401 107 V 3.8986 7.6529 117.4075 65.9700 31.6093 177.8232 108 E 3.8920 7.7682 115.1742 57.6890 30.2986 177.4172 *110 A 4.1648 7.7523 120.6572 52.1757 20.0706 178.9710 *112 Q 4.2244 8.1185 121.8310 57.5425 30.6105 175.6601 113 E 4.2348 8.2099 114.1417 55.5530 29.7876 175.9272 114 K 3.2314 7.7966 116.5011 56.8236 29.9541 176.1213 115 D 4.5115 7.5856 119.2992 53.9970 39.5692 175.6820 116 F 4.7406 8.3239 124.5268 59.7610 39.3343 176.9985 117 A 4.2024 8.1765 120.2539 55.6887 18.3258 179.6959 118 T 4.0921 8.4804 114.3870 66.7716 68.2770 176.0820 119 Y 4.0939 8.0464 120.8744 61.0576 39.1365 177.7842 120 N 4.4543 8.5006 117.6833 56.6007 38.5790 176.7167 121 F 4.1231 8.3887 122.1680 61.0765 39.3972 176.8886 122 L 4.0425 8.2123 118.0460 56.8688 41.3479 179.2198 123 Q 3.9153 7.6621 118.2888 58.3638 28.5543 178.2218 124 W 3.9647 7.7857 128.7036 60.6239 30.7472 177.6580 125 Y 4.1188 8.1236 116.2383 60.5802 37.1510 178.1789 126 V 3.5675 7.5860 118.6904 65.9037 31.4476 177.6588 127 A 3.9931 7.9214 120.5548 55.0408 18.1116 179.1041 128 E 3.4832 7.6882 117.7689 59.4623 29.4983 179.1433 129 Q 4.0372 7.9745 117.6910 58.3425 28.8749 176.4668 130 V 3.8928 7.4633 122.9167 63.4408 32.7497 176.3604 *131 E 4.3689 8.3089 115.3158 55.7405 31.8464 175.6349 132 E 4.1219 8.7129 120.6149 59.8924 29.5795 179.3025 133 E 4.1052 8.4495 118.1185 59.4714 29.5182 179.3314 134 A 4.1052 8.0815 120.5991 55.2324 18.5724 179.9547 135 S 4.1515 8.3376 113.6403 61.5241 62.8994 176.7047 136 A 4.3281 8.1059 123.2411 55.3541 18.2885 179.5178 137 L 3.7154 8.3458 118.9159 58.2817 42.0999 178.8326 138 D 4.4401 8.3508 119.0545 57.2754 40.6268 178.7029 139 I 3.6177 7.2439 118.9971 63.5733 37.1797 178.3821 140 V 3.5528 7.7878 119.2807 66.2161 31.3717 178.0253 141 E 3.9320 8.5582 118.5621 59.2401 29.2636 179.3117 142 K 3.9769 7.9804 119.7383 59.2377 32.2113 178.7702 143 L 4.1580 8.1310 119.1528 57.0125 41.3250 179.5504 144 R 3.9371 7.5887 117.8612 59.0121 30.1748 178.0027 145 L 4.0320 7.6875 119.0319 58.3942 42.2226 178.7542 146 I 3.9942 7.8231 119.0613 60.0323 37.2811 179.9759 147 G 3.7805 7.9453 105.0824 46.8868 0.0000 174.6186 148 E 4.2902 9.0682 123.2848 56.2650 30.4965 175.6664 149 D 4.3743 8.0151 119.5499 54.4612 41.8819 176.4044 150 K 4.1818 8.6044 127.3729 58.5842 32.3634 179.4667 151 R 3.9535 8.0945 118.2809 59.2007 30.0856 178.6153 152 A 4.0147 8.7294 120.9906 55.0499 18.3318 179.4709 153 L 4.0798 7.7602 118.9051 58.1885 42.1810 179.1580 154 L 4.1114 8.1341 119.1702 57.2580 41.5422 179.0676 155 F 3.9183 8.5122 121.0182 61.3188 39.3189 176.8509 156 L 3.8608 8.2126 119.8732 58.1539 41.7824 178.4754 157 D 3.9478 8.2000 117.9929 57.1119 41.0943 178.1297 158 K 3.8061 7.9457 120.1263 59.3644 32.2002 178.3562 159 E 3.7015 7.7320 119.5671 59.1857 29.4423 178.7552 160 L 4.0870 7.9126 118.9888 56.9896 41.3955 179.1870 161 S 4.2424 7.3518 113.5465 60.5707 63.1123 175.8756 162 L 4.0727 7.5440 121.6073 55.7365 41.7979 177.3660 163 R 4.0367 7.1592 119.4151 56.2392 30.7129 176.2277 164 Q 4.1910 8.3676 121.7296 56.1248 29.3991 175.4023 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 3 S 8.32 4.42 0.00 3.97 4.04 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 4 I 7.56 3.56 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.90 0.00 0.00 5 S 9.14 4.40 0.00 3.99 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 6 E 8.57 4.17 0.00 2.05 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 2.37 2.28 0.00 7 K 7.77 4.26 0.00 1.94 2.02 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.43 7.81 *9 V 7.95 3.97 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 0.91 0.00 0.00 0.93 0.00 0.00 10 E 8.32 4.01 0.00 2.18 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 2.40 0.00 11 A 8.02 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 12 L 7.92 4.02 0.00 1.89 1.81 1.04 0.85 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 13 N 8.38 4.51 0.00 3.12 3.07 0.00 0.00 7.03 7.25 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 14 R 8.43 4.02 0.00 1.82 1.94 0.00 3.02 0.00 0.00 2.63 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 15 Q 8.08 4.01 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 16 I 7.95 3.84 2.19 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.80 1.08 0.00 0.00 17 N 8.37 4.42 0.00 3.08 3.10 0.00 0.00 7.12 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 18 A 8.43 4.13 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 19 E 8.44 4.14 0.00 2.27 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 0.00 2.66 2.67 0.00 20 I 7.99 3.76 2.08 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 1.40 1.26 0.93 0.00 0.00 21 Y 8.42 4.21 0.00 3.16 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.29 3.72 0.00 4.23 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 23 A 8.01 4.27 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 0.00 0.00 0.00 0.00 0.00 24 Y 7.90 4.51 0.00 3.22 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 25 L 7.71 3.65 0.00 0.94 1.15 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.25 4.56 0.00 3.31 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 27 L 8.53 3.96 0.00 0.87 1.38 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.05 4.24 0.00 3.82 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 *30 A 8.01 4.50 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 31 S 7.97 4.11 0.00 3.90 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.02 4.16 0.00 3.27 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 33 F 8.07 4.12 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.63 4.48 0.00 2.93 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 35 S 7.87 4.39 0.00 4.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 6.73 4.28 1.75 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.66 0.74 0.00 0.00 37 G 8.07 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 38 L 7.66 4.69 0.00 1.73 1.82 0.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.12 4.28 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.52 7.81 40 G 8.20 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 41 F 8.28 3.76 0.00 2.17 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 42 S 7.97 4.41 0.00 4.11 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.38 4.49 0.00 2.86 3.02 0.00 0.00 6.90 8.81 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 44 W 8.06 4.22 0.00 3.43 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 *46 R 7.91 4.40 0.00 2.14 2.12 0.00 3.29 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 47 V 7.97 3.57 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 0.76 0.00 0.00 0.92 0.00 0.00 48 Q 7.93 3.78 0.00 1.40 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 1.70 2.35 0.00 49 W 8.32 4.42 0.00 3.66 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.76 3.56 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.62 0.00 51 E 7.82 3.97 0.00 1.85 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 2.07 2.29 0.00 52 E 8.63 4.13 0.00 2.08 2.26 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 2.73 2.83 0.00 53 L 7.39 3.92 0.00 1.45 1.40 0.57 -0.64 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 *55 H 8.15 4.88 0.00 3.51 3.71 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.02 4.28 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 *58 K 8.02 4.10 0.00 1.65 1.67 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 *60 F 8.09 4.77 0.00 3.17 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 61 D 8.26 4.57 0.00 3.00 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 62 F 8.00 4.03 0.00 2.61 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 63 V 7.58 3.22 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 0.89 0.00 0.00 0.91 0.00 0.00 64 S 7.27 4.23 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.50 3.87 0.00 2.01 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 2.27 2.25 0.00 66 R 7.49 3.93 0.00 1.45 1.66 0.00 2.96 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 67 G 7.74 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 68 G 7.90 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 69 R 7.93 4.35 0.00 1.61 1.69 0.00 3.15 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 70 V 8.04 4.30 1.56 0.00 0.00 0.00 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 0.43 0.00 0.00 71 K 8.46 4.31 0.00 1.51 1.41 0.00 1.37 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.00 0.36 7.81 72 L 8.18 4.40 0.00 1.64 1.59 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.21 4.88 0.00 3.08 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 74 A 8.58 4.14 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 75 V 8.05 4.36 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 0.99 0.00 0.00 0.92 0.00 0.00 76 E 8.78 4.20 0.00 1.90 1.90 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 2.22 2.13 0.00 77 E 8.86 4.13 0.00 2.01 1.94 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 2.32 2.35 0.00 78 P 0.00 5.12 0.00 2.15 1.88 0.00 3.37 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.38 0.00 79 P 0.00 4.33 0.00 1.52 1.87 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 80 S 7.87 4.62 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.00 4.64 0.00 1.64 1.68 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 2.09 2.16 0.00 82 W 7.49 4.88 0.00 2.26 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.89 4.51 0.00 2.72 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 84 S 7.38 4.84 0.00 4.18 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 85 P 0.00 4.52 0.00 2.08 1.79 0.00 3.65 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 2.00 2.14 0.00 86 L 8.01 4.01 0.00 1.79 1.71 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.22 4.08 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 3.27 0.78 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 89 F 8.30 3.81 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.51 4.10 0.00 2.36 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 0.00 2.40 2.39 0.00 91 H 8.24 4.28 0.00 3.56 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.77 3.94 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 0.95 0.00 0.00 0.52 0.00 0.00 93 Y 8.40 4.23 0.00 3.21 3.22 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 94 E 8.63 3.92 0.00 2.48 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 2.40 2.43 0.00 95 H 9.31 4.12 0.00 3.44 3.68 0.00 5.59 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 96 E 8.70 4.04 0.00 2.13 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 2.76 2.65 0.00 97 V 7.98 3.40 1.94 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 0.89 0.00 0.00 0.25 0.00 0.00 98 N 8.05 4.33 0.00 2.88 2.99 0.00 0.00 6.80 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 99 V 8.02 3.58 2.29 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 1.16 0.00 0.00 1.00 0.00 0.00 100 T 8.13 3.86 4.37 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 1.10 0.00 0.00 101 K 8.00 3.78 0.00 1.94 1.90 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 102 R 7.88 3.93 0.00 2.01 2.13 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 103 I 8.02 3.72 2.10 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 1.71 0.79 0.96 0.00 0.00 104 H 8.77 4.25 0.00 3.33 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.04 4.05 0.00 2.15 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 2.36 2.37 0.00 106 L 7.62 4.16 0.00 1.89 1.75 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.65 3.90 2.25 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 1.02 0.00 0.00 0.92 0.00 0.00 108 E 7.77 3.89 0.00 2.20 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 2.66 0.00 *110 A 7.75 4.16 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 Q 8.12 4.22 0.00 2.08 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 113 E 8.21 4.23 0.00 1.96 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 2.26 2.32 0.00 114 K 7.80 3.23 0.00 1.53 1.07 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.16 1.25 7.81 115 D 7.59 4.51 0.00 2.71 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 0.00 116 F 8.32 4.74 0.00 3.19 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 0.00 117 A 8.18 4.20 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 4.09 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 1.40 0.00 0.00 119 Y 8.05 4.09 0.00 3.20 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 0.00 120 N 8.50 4.45 0.00 2.98 3.09 0.00 0.00 6.91 7.30 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 0.00 121 F 8.39 4.12 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.04 0.00 1.74 1.62 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.66 3.92 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 124 W 7.79 3.96 0.00 3.17 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 0.00 125 Y 8.12 4.12 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.59 3.57 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 0.76 0.00 0.00 0.88 0.00 0.00 127 A 7.92 3.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.69 3.48 0.00 1.16 1.57 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 1.75 2.19 0.00 129 Q 7.97 4.04 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 130 V 7.46 3.89 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 0.97 0.00 0.00 0.98 0.00 0.00 *131 E 8.31 4.37 0.00 1.91 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 2.21 2.40 0.00 132 E 8.71 4.12 0.00 2.14 2.27 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 2.64 2.80 0.00 133 E 8.45 4.11 0.00 2.15 2.17 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 2.17 2.41 0.00 134 A 8.08 4.11 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 0.00 135 S 8.34 4.15 0.00 4.14 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.11 4.33 1.66 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 0.00 137 L 8.35 3.72 0.00 1.85 1.72 0.24 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.35 4.44 0.00 2.91 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 0.00 139 I 7.24 3.62 1.38 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.32 -0.69 0.00 0.00 140 V 7.79 3.55 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 0.97 0.00 0.00 1.08 0.00 0.00 141 E 8.56 3.93 0.00 2.02 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 2.27 2.22 0.00 142 K 7.98 3.98 0.00 1.95 1.71 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 143 L 8.13 4.16 0.00 1.91 1.70 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.59 3.94 0.00 1.94 1.97 0.00 3.15 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 1.66 1.76 0.00 145 L 7.69 4.03 0.00 1.62 1.90 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.82 3.99 2.07 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 1.46 0.60 0.96 0.00 0.00 147 G 7.95 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 0.00 148 E 9.07 4.29 0.00 1.96 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 2.25 2.22 0.00 149 D 8.02 4.37 0.00 2.73 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 0.00 150 K 8.60 4.18 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.67 7.81 151 R 8.09 3.95 0.00 2.00 2.00 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 1.71 0.00 152 A 8.73 4.01 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 0.00 153 L 7.76 4.08 0.00 1.76 1.87 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.13 4.11 0.00 2.14 1.75 0.96 0.84 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 0.00 155 F 8.51 3.92 0.00 3.10 3.29 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 0.00 156 L 8.21 3.86 0.00 1.91 1.92 0.75 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.20 3.95 0.00 3.15 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 K 7.95 3.81 0.00 1.73 1.59 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.33 7.81 159 E 7.73 3.70 0.00 1.81 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 0.00 2.18 2.14 0.00 160 L 7.91 4.09 0.00 1.40 1.68 0.66 -0.31 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 0.00 161 S 7.35 4.24 0.00 3.93 4.04 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 0.00 162 L 7.54 4.07 0.00 1.86 1.72 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.16 4.04 0.00 1.74 1.93 0.00 2.83 0.00 0.00 2.60 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 164 Q 8.37 4.19 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.39 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.