NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4552 8.3349 115.4159 58.7494 63.2778 172.1466 3 N 4.6406 8.6959 123.8164 53.8012 42.5395 172.5597 4 T 4.4174 8.7327 112.4810 63.7250 73.1279 173.0255 5 L 4.8366 8.8922 124.1628 54.5761 44.6638 176.2087 6 F 5.1109 7.8940 119.5280 56.9270 43.2246 172.7037 7 D 4.8886 6.7640 122.8402 53.4542 44.2473 173.5148 8 D 4.2845 8.0088 123.8145 54.2158 45.9134 174.0771 9 I 5.2042 7.5689 120.8532 59.4525 40.5313 175.1908 10 F 5.1119 9.6017 123.6586 55.8336 43.1824 174.3868 11 Q 4.9119 8.9401 124.0222 54.2026 29.9732 174.3853 12 V 4.0185 8.5729 127.8033 63.5311 31.8934 176.1637 13 S 4.6669 8.4031 122.0537 59.0985 65.1752 174.4876 14 E 4.6379 7.8362 118.9779 55.2858 33.9910 174.3070 15 V 4.1645 8.5538 124.4336 61.2260 33.2892 173.3113 16 D 4.9916 8.6810 128.2542 52.0799 42.3674 175.2037 17 P 3.8141 0.0000 0.0000 63.5087 32.3710 177.0708 18 G 3.5642 8.6882 100.9736 47.9744 0.0000 173.6384 19 R 3.5878 8.0273 121.4927 57.2411 28.7341 176.0220 20 Y 4.8278 7.6878 115.3223 57.1700 39.3021 174.8378 21 N 5.1338 8.7011 114.6763 52.8981 40.7968 175.4087 22 K 4.6160 8.0401 115.3137 55.7212 35.7528 176.0266 23 V 5.0115 7.9109 118.1837 61.2032 34.0453 174.7110 24 C 5.1011 8.8741 122.9772 58.0237 32.9708 173.2902 25 R 4.8834 9.6035 123.9536 55.1612 30.8080 175.2221 26 I 4.6574 8.6335 128.3768 60.7373 39.0589 175.3316 27 E 5.4128 9.0972 124.9754 54.2761 31.2887 173.4874 28 A 4.9377 8.3075 126.4889 50.1651 21.9578 176.4544 29 A 4.5398 9.1561 122.8395 51.4961 20.8774 176.0359 30 S 4.6074 8.3722 112.3677 56.8353 64.8457 174.0732 31 T 3.9881 7.8482 122.4470 64.9869 69.5673 177.8518 32 T 3.2809 8.8989 122.5178 64.7180 67.0170 174.9386 33 Q 4.1334 9.0623 122.6839 56.7634 29.8875 176.1220 34 D 4.5799 8.6264 122.0544 56.3634 41.6025 178.0306 35 Q 4.0977 8.2040 117.7682 59.0087 28.9276 176.1808 36 C 4.8152 8.1645 115.9971 59.7691 32.1205 172.4589 37 K 5.0267 8.7011 123.3552 55.1276 37.2911 174.7502 38 L 4.9480 8.3669 120.9961 54.3897 46.0080 174.1255 39 T 5.1094 8.7481 122.7937 61.7132 71.4671 172.8326 40 L 5.1296 9.0605 128.1265 53.6518 46.0996 174.3766 41 D 5.2817 8.7317 125.3620 53.7391 42.3365 176.1364 42 I 4.6836 8.5552 122.2804 59.6884 42.1967 174.7881 43 N 5.1785 9.9865 125.7274 52.6467 37.4331 175.1747 44 V 3.8351 8.6773 125.3086 65.6888 31.9861 178.1804 45 E 3.9929 7.8746 117.1012 59.0732 29.3284 177.7554 46 L 4.5949 7.8382 115.5885 53.7778 42.0230 176.7683 47 F 5.2734 7.7610 123.2738 57.0351 41.5810 171.3061 48 P 4.3500 0.0000 0.0000 62.5961 32.1709 175.8143 49 V 4.1618 7.5853 117.0050 61.7604 34.1972 172.7892 50 A 4.6437 8.4278 127.5376 49.8346 22.4361 175.2576 51 A 4.1263 8.3803 121.9043 52.6981 18.8642 177.2177 52 Q 3.4048 8.4639 114.8717 56.8066 27.1646 174.7499 53 D 4.9168 7.5831 118.7791 53.4909 43.3522 175.4494 54 S 5.0867 8.5356 113.5842 56.9190 65.1897 173.4098 55 L 4.8576 8.9761 125.3369 53.0242 44.5787 175.9858 56 T 4.8790 8.4484 120.2844 62.9614 69.3076 173.8209 57 V 4.9720 8.9440 127.7172 61.4154 34.0164 174.5888 58 T 5.3505 8.9143 124.1070 61.3133 71.8005 174.7096 59 I 3.8236 9.0867 126.7328 64.0724 37.8617 177.5867 60 A 3.8319 7.9627 122.7128 53.3280 17.4360 176.9905 61 S 5.1648 8.3951 108.9366 58.3437 64.6633 175.7258 62 S 4.2869 7.8583 121.8862 58.5709 66.9165 175.3705 63 L 3.5481 8.2687 115.9933 55.1260 41.0228 177.0617 *76 T 4.1680 7.5239 111.2997 62.2639 70.5760 174.2883 77 R 3.9845 8.0637 124.1454 54.9805 30.1305 177.9969 78 S 4.6534 8.2500 114.8974 57.8867 63.2738 173.1298 79 W 5.2191 8.6138 128.4638 55.9267 33.6985 174.8979 80 R 4.2754 7.6008 122.9954 53.8259 32.4437 173.7509 81 P 3.6561 0.0000 0.0000 64.3565 31.9730 175.8891 82 P 4.5377 0.0000 0.0000 62.9623 33.1175 173.3024 83 Q 3.5814 8.3344 115.8113 57.6896 27.1093 175.8026 84 A 3.9866 7.5379 120.1451 54.9509 18.8678 178.6320 85 G 4.5671 7.0729 105.1560 45.6962 0.0000 174.0407 86 D 4.6334 8.0800 118.4007 53.5639 43.9846 175.7005 87 R 4.1235 7.1614 117.0784 57.3493 30.6292 177.0574 88 S 4.4925 8.1077 118.5720 58.5890 63.5048 177.6372 89 L 4.3590 7.4903 120.0454 56.2517 38.9569 177.9894 90 A 4.3156 7.7693 126.2706 52.3325 18.5027 178.3708 91 D 4.9322 7.9091 120.8141 53.3604 39.7862 174.6665 92 D 4.8358 8.6381 128.4347 55.0979 41.6628 175.8773 93 Y 4.8436 7.8107 117.4242 56.8635 41.7345 173.4801 94 D 4.8659 9.0108 116.9210 56.3894 43.6520 176.2348 95 Y 4.2097 8.0024 120.2252 56.1281 40.5190 174.8320 96 V 4.6245 7.6185 125.8207 62.1220 33.9750 173.6353 97 M 4.6219 8.7643 128.1202 53.9922 35.5339 174.6911 98 Y 5.1113 8.4083 120.1095 57.2035 41.6302 173.6847 99 G 3.6426 8.0397 113.3055 45.2729 0.0000 170.9567 100 T 4.7925 8.1616 115.1435 61.5406 71.4987 173.8221 101 A 4.6986 8.1557 125.5055 49.9487 19.6736 176.5566 102 Y 4.6446 8.2326 120.7779 58.3920 39.2384 176.2002 103 K 4.4098 6.4941 118.4214 56.4139 30.5484 176.0286 104 F 4.2232 8.2570 128.7779 55.4371 37.5296 172.9428 105 E 4.4519 7.8656 121.2701 55.2467 28.8745 177.7978 106 E 4.1870 8.7972 123.8316 57.3559 29.9470 177.5601 107 V 3.4292 7.4118 117.1545 62.0096 30.6089 173.2023 108 S 4.1015 8.0521 112.8788 58.7548 63.7957 175.0670 109 K 3.9588 9.1475 127.0177 56.8065 30.5380 175.4391 110 D 4.8292 8.9222 123.0176 54.1606 43.8121 175.4962 111 L 4.7291 8.1158 120.3563 53.4307 44.6760 175.6570 112 I 4.5059 8.7772 120.2670 59.7723 40.4258 174.4936 113 A 5.4855 8.4630 129.2312 49.7248 21.3010 176.0590 114 V 4.4289 8.0561 115.1916 59.8352 35.1480 174.2157 115 Y 4.8879 7.8342 117.8848 56.4484 41.7743 174.4040 116 Y 4.7022 8.8521 120.0766 56.0820 42.5180 174.4825 117 S 4.8221 8.8944 117.1901 56.8904 65.3813 173.2025 118 F 4.8858 10.1873 128.6723 56.7032 37.6963 175.8097 119 G 4.0739 9.5162 113.3870 46.7038 0.0000 171.8867 120 G 3.9968 7.5489 108.9995 44.9970 0.0000 174.8663 121 L 4.3530 8.4138 121.2833 54.3930 42.5578 176.8315 122 L 4.8190 9.4896 125.0607 54.5139 43.9600 175.6042 123 M 5.4626 8.9570 119.5027 54.6901 36.5839 173.8623 124 R 4.9492 8.8973 124.6744 55.5294 33.9213 173.5358 125 L 5.0960 8.3503 126.0570 53.1456 44.9596 175.3644 126 E 4.7523 8.8811 122.4343 53.3484 31.9606 174.3505 127 G 4.0537 8.4992 120.2966 44.6340 0.0000 173.1605 128 N 4.7419 8.0339 131.1004 53.8936 40.6192 173.8533 129 Y 4.6516 7.3723 115.1711 57.2546 38.3157 175.7357 130 R 4.6266 7.5079 117.1221 56.5221 30.8337 177.3271 131 N 4.2141 8.3219 116.8596 56.5460 38.4148 176.9417 132 L 4.6869 7.7486 114.9533 55.0771 42.0306 176.8281 133 N 4.8350 7.8055 114.1381 53.7815 41.6139 175.0636 134 N 4.3848 8.4213 116.8940 53.8964 39.7005 175.6312 135 L 4.3280 8.4746 122.9871 54.8263 42.5237 176.7192 136 K 4.5391 8.4505 117.8144 56.2435 32.9137 175.0426 137 Q 4.6582 7.7137 114.5738 52.8954 30.6847 173.9133 138 E 3.4791 8.4295 117.3655 58.9501 29.6918 175.4659 139 N 4.2445 7.5286 123.9063 52.1198 38.4517 174.8226 140 A 4.4153 8.0731 124.1242 51.6609 21.6694 175.2947 141 Y 5.1097 9.0136 120.1543 58.1358 40.2660 175.1054 142 L 4.6901 8.9558 121.6709 54.0372 45.6554 174.5108 143 L 5.1137 9.0786 126.2756 52.9856 45.1491 175.7030 144 I 5.9771 8.7731 122.2826 59.1079 42.3285 174.3251 145 R 5.0483 8.2814 120.4373 55.5781 33.1079 175.3734 146 R 4.3244 10.0584 121.1536 57.0113 30.8148 176.0381 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 2 S 8.33 4.46 0.00 4.00 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 3 N 8.70 4.64 0.00 2.74 2.81 0.00 0.00 6.85 6.66 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 4 T 8.73 4.42 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 1.27 0.00 0.00 5 L 8.89 4.84 0.00 1.73 1.90 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.89 5.11 0.00 3.18 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 7 D 6.76 4.89 0.00 2.63 2.33 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 8 D 8.01 4.28 0.00 2.33 2.40 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 9 I 7.57 5.20 1.81 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 1.29 0.96 0.00 0.00 10 F 9.60 5.11 0.00 2.97 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.94 4.91 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 12 V 8.57 4.02 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 1.00 0.00 0.00 0.97 0.00 0.00 13 S 8.40 4.67 0.00 3.94 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 14 E 7.84 4.64 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 15 V 8.55 4.16 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 0.82 0.00 0.00 0.92 0.00 0.00 16 D 8.68 4.99 0.00 2.89 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 17 P 0.00 3.81 0.00 2.26 2.19 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 18 G 8.69 3.56 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 0.00 19 R 8.03 3.59 0.00 1.66 1.76 0.00 3.30 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 20 Y 7.69 4.83 0.00 3.32 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 21 N 8.70 5.13 0.00 2.71 2.82 0.00 0.00 6.64 7.61 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 22 K 8.04 4.62 0.00 1.64 1.78 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.42 7.81 23 V 7.91 5.01 1.81 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 0.79 0.00 0.00 0.83 0.00 0.00 24 C 8.87 5.10 0.00 2.90 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 25 R 9.60 4.88 0.00 1.97 1.87 0.00 3.14 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 26 I 8.63 4.66 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.96 0.00 0.00 27 E 9.10 5.41 0.00 2.04 1.78 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 2.22 2.30 0.00 28 A 8.31 4.94 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 29 A 9.16 4.54 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 30 S 8.37 4.61 0.00 3.75 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 31 T 7.85 3.99 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 1.15 0.00 0.00 32 T 8.90 3.28 4.12 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 0.00 0.00 1.11 0.00 0.00 33 Q 9.06 4.13 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 34 D 8.63 4.58 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.20 4.10 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 36 C 8.16 4.82 0.00 3.37 3.05 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 37 K 8.70 5.03 0.00 1.73 1.68 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.64 7.81 38 L 8.37 4.95 0.00 1.58 1.21 0.75 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.75 5.11 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 1.29 0.00 0.00 40 L 9.06 5.13 0.00 1.61 1.33 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.73 5.28 0.00 2.69 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 42 I 8.56 4.68 1.80 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.83 0.91 0.00 0.00 43 N 9.99 5.18 0.00 2.74 2.86 0.00 0.00 6.62 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.68 3.84 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 0.89 0.00 0.00 1.03 0.00 0.00 45 E 7.87 3.99 0.00 2.33 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 2.37 2.32 0.00 46 L 7.84 4.59 0.00 1.75 1.73 0.90 0.80 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 47 F 7.76 5.27 0.00 3.27 3.36 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 48 P 0.00 4.35 0.00 1.90 1.91 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.18 0.00 49 V 7.59 4.16 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 0.68 0.00 0.00 0.78 0.00 0.00 50 A 8.43 4.64 1.19 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 0.00 0.00 51 A 8.38 4.13 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 0.00 0.00 0.00 0.00 0.00 52 Q 8.46 3.40 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 53 D 7.58 4.92 0.00 2.66 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 54 S 8.54 5.09 0.00 3.87 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 55 L 8.98 4.86 0.00 1.72 1.70 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.45 4.88 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 1.33 0.00 0.00 57 V 8.94 4.97 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 0.98 0.00 0.00 0.93 0.00 0.00 58 T 8.91 5.35 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 1.34 0.00 0.00 59 I 9.09 3.82 2.02 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 1.18 0.64 0.86 0.00 0.00 60 A 7.96 3.83 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 61 S 8.40 5.16 0.00 4.09 4.01 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 62 S 7.86 4.29 0.00 3.94 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 63 L 8.27 3.55 0.00 1.59 1.64 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.52 4.17 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 1.28 0.00 0.00 77 R 8.06 3.98 0.00 2.00 1.97 0.00 3.23 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 78 S 8.25 4.65 0.00 4.07 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 79 W 8.61 5.22 0.00 3.15 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 80 R 7.60 4.28 0.00 1.51 1.53 0.00 3.16 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 81 P 0.00 3.66 0.00 1.99 1.86 0.00 3.30 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.28 0.00 82 P 0.00 4.54 0.00 2.11 2.03 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 1.88 1.91 0.00 83 Q 8.33 3.58 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 84 A 7.54 3.99 1.20 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 0.00 0.00 85 G 7.07 4.57 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 0.00 0.00 0.00 86 D 8.08 4.63 0.00 2.57 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.16 4.12 0.00 1.65 1.71 0.00 3.18 0.00 0.00 3.25 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 88 S 8.11 4.49 0.00 3.94 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 89 L 7.49 4.36 0.00 1.65 1.82 0.93 0.93 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 90 A 7.77 4.32 1.26 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 0.00 0.00 91 D 7.91 4.93 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.64 4.84 0.00 2.43 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 93 Y 7.81 4.84 0.00 2.82 3.05 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 94 D 9.01 4.87 0.00 2.49 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 95 Y 8.00 4.21 0.00 2.00 2.40 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 96 V 7.62 4.62 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 0.91 0.00 0.00 0.91 0.00 0.00 97 M 8.76 4.62 0.00 1.57 1.29 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 98 Y 8.41 5.11 0.00 2.64 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 99 G 8.04 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.16 4.79 4.14 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 1.16 0.00 0.00 101 A 8.16 4.70 0.96 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 0.00 0.00 102 Y 8.23 4.64 0.00 2.96 2.92 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 0.00 103 K 6.49 4.41 0.00 1.61 1.90 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.55 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.06 1.09 7.81 104 F 8.26 4.22 0.00 2.43 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 0.00 105 E 7.87 4.45 0.00 2.04 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 2.34 2.32 0.00 106 E 8.80 4.19 0.00 2.03 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 2.51 2.73 0.00 107 V 7.41 3.43 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 0.75 0.00 0.00 0.96 0.00 0.00 108 S 8.05 4.10 0.00 4.06 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 0.00 109 K 9.15 3.96 0.00 1.92 1.71 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 110 D 8.92 4.83 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 111 L 8.12 4.73 0.00 1.58 1.69 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.78 4.51 1.79 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 1.14 1.53 0.86 0.00 0.00 113 A 8.46 5.49 1.19 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 0.00 0.00 114 V 8.06 4.43 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.75 0.00 0.00 115 Y 7.83 4.89 0.00 1.89 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 0.00 0.00 0.00 116 Y 8.85 4.70 0.00 2.85 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 0.00 0.00 0.00 117 S 8.89 4.82 0.00 3.94 3.79 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 0.00 118 F 10.19 4.89 0.00 3.30 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 0.00 119 G 9.52 4.07 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 0.00 0.00 0.00 120 G 7.55 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 0.00 121 L 8.41 4.35 0.00 1.94 1.77 0.98 0.40 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 0.00 122 L 9.49 4.82 0.00 1.78 1.79 1.01 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 0.00 123 M 8.96 5.46 0.00 2.47 2.18 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 124 R 8.90 4.95 0.00 1.42 1.47 0.00 2.79 0.00 0.00 3.04 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 125 L 8.35 5.10 0.00 1.43 1.33 0.33 0.72 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 0.00 126 E 8.88 4.75 0.00 1.97 1.78 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 2.17 2.20 0.00 127 G 8.50 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 0.00 128 N 8.03 4.74 0.00 2.63 2.83 0.00 0.00 6.82 7.54 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 0.00 129 Y 7.37 4.65 0.00 3.17 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 0.00 130 R 7.51 4.63 0.00 1.78 1.97 0.00 2.90 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.01 0.00 131 N 8.32 4.21 0.00 2.74 2.94 0.00 0.00 7.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.75 4.69 0.00 1.68 1.71 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.81 4.83 0.00 2.86 2.91 0.00 0.00 6.84 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 0.00 134 N 8.42 4.38 0.00 2.71 2.84 0.00 0.00 6.89 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.47 4.33 0.00 1.72 1.77 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.45 4.54 0.00 1.63 1.69 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.35 7.81 137 Q 7.71 4.66 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 138 E 8.43 3.48 0.00 1.98 1.81 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 2.28 2.27 0.00 139 N 7.53 4.24 0.00 2.89 3.01 0.00 0.00 6.63 7.35 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 0.00 140 A 8.07 4.42 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 0.00 141 Y 9.01 5.11 0.00 2.87 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 0.00 142 L 8.96 4.69 0.00 1.64 1.14 0.87 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.08 5.11 0.00 0.27 0.13 0.53 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.77 5.98 1.60 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.08 0.91 0.00 0.00 145 R 8.28 5.05 0.00 1.90 2.03 0.00 2.90 0.00 0.00 2.79 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 146 R 10.06 4.32 0.00 2.00 2.02 0.00 3.22 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.