NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *16 D 4.6244 8.3493 119.5549 53.1758 41.2689 177.5044 17 T 4.6634 8.4799 114.4863 58.2895 72.1291 172.9878 18 I 3.8076 8.8788 115.4107 64.2165 38.4175 179.2094 19 F 4.6889 8.2768 119.7432 60.1218 38.5866 177.9028 20 G 3.5909 7.9803 105.1676 47.9268 0.0000 175.9369 21 K 4.2777 7.8633 121.4173 58.4850 31.8889 179.7330 22 I 3.6218 7.5287 120.4176 64.3448 36.8514 178.3482 23 I 3.6162 7.3866 119.3310 64.2040 37.0243 177.9977 24 R 4.1191 8.1129 116.4081 55.9636 30.0614 177.2299 25 K 3.8760 7.8276 117.1029 56.9864 30.4659 176.6022 26 E 4.1183 8.3979 120.8628 58.4767 29.5024 177.4817 27 I 4.5795 7.2455 109.8718 57.6218 40.2993 173.2299 28 P 4.3093 0.0000 0.0000 63.3922 31.5461 175.1149 29 A 4.4046 7.6762 117.8048 51.6049 21.5480 177.3266 30 K 4.4504 8.1688 121.5718 55.1792 31.0462 175.2587 31 I 4.2096 7.8815 123.1326 61.7161 37.4824 175.5035 32 I 4.2564 8.6284 127.4100 62.8131 38.8839 175.8253 33 F 4.7110 7.7731 120.4444 57.5365 42.4915 172.3861 34 E 4.8988 7.0302 123.3996 55.1122 32.7042 173.9873 35 D 4.4778 8.0016 123.0003 52.2309 42.1437 174.5161 36 D 4.5156 8.7646 117.1988 55.2474 39.9108 176.6174 37 R 4.5966 8.2492 115.4943 55.9890 31.1659 174.4817 38 C 5.2014 7.6613 112.5176 57.4265 33.4046 172.3310 39 L 5.2935 9.3785 121.1343 53.3363 45.3607 174.6953 40 A 5.9246 9.2845 127.8353 49.5971 21.9773 175.0278 41 F 5.0616 8.0141 113.9282 55.9483 40.9386 173.1398 42 H 4.6432 9.0518 118.5786 55.9074 29.2644 175.0488 43 D 4.4224 8.5770 122.9346 53.6308 41.6415 176.4336 44 I 3.9060 8.6375 120.1216 63.3883 37.7637 176.3038 45 S 4.6886 8.3328 117.8250 55.1916 62.3687 170.7753 46 P 4.3754 0.0000 0.0000 62.9499 31.8822 177.3003 47 Q 4.4712 8.8689 119.3511 55.4836 29.2141 174.8759 48 A 4.5643 7.7036 118.6626 50.4990 21.8941 174.7879 49 P 4.3224 0.0000 0.0000 65.3130 31.6786 176.8229 50 T 4.6615 8.1392 115.5937 61.9702 71.4829 173.3587 51 H 5.5747 9.1232 126.7367 53.7435 33.0442 171.7777 52 F 5.3035 8.1590 119.8248 55.1930 42.1330 173.1486 53 L 5.1553 8.8573 118.3808 52.7907 45.9565 175.9181 54 V 4.9907 8.6296 120.6540 61.2199 34.1771 174.4277 55 I 5.1540 9.2340 121.4533 58.2791 41.1976 172.8114 56 P 4.9439 0.0000 0.0000 62.6731 31.6040 176.5172 57 K 4.2400 9.0908 123.5972 59.1844 32.7275 177.9861 58 K 4.0711 8.0131 121.1829 56.3674 32.5981 176.5377 59 H 4.3625 8.6417 126.6386 55.2612 28.4584 172.3619 60 I 4.2323 7.6667 125.2369 58.9827 38.4747 177.0386 61 S 4.2089 8.8415 120.5470 60.6461 63.1926 174.1126 62 Q 4.7496 7.5222 115.5148 54.6911 30.8949 174.4291 63 I 3.6695 8.4566 119.8588 64.2405 38.0853 178.1711 64 S 4.2807 8.1559 113.4539 60.4135 62.9046 175.3192 65 V 3.9532 7.7003 113.3345 62.0424 32.3202 176.2053 66 A 3.8517 7.4520 121.1017 52.0666 18.5787 177.3067 67 E 4.1736 9.0979 122.9317 56.3497 29.9443 178.2460 68 D 4.5877 8.6148 120.8309 57.0999 41.0491 178.0859 69 D 4.5230 8.0128 117.2414 55.9823 41.2750 176.8764 70 D 4.7717 8.3781 119.7354 54.0937 41.0245 177.5482 71 E 3.9173 7.7858 122.3043 59.7573 29.6040 179.1656 72 S 4.2534 8.0190 114.4565 61.0267 63.0153 176.2926 73 L 3.9865 7.8386 122.8513 58.2792 42.0075 178.9418 74 L 4.2124 8.7553 119.1988 57.3312 41.3849 179.7283 75 G 3.6305 7.9519 105.7255 47.8082 0.0000 175.2425 76 H 4.1469 8.8178 121.1497 59.0113 29.7261 177.2553 77 L 3.9812 8.1105 120.6377 58.1620 41.5516 179.3471 78 M 4.0999 7.6011 117.8320 58.4821 31.8551 178.6803 79 I 3.6618 7.9673 120.0097 64.4587 37.2511 178.3647 80 V 3.4105 8.0581 119.1998 65.9867 31.2283 177.9401 81 G 3.9616 8.4488 105.9470 48.1190 0.0000 175.7201 82 K 4.3176 8.1721 122.8020 58.3964 32.4701 179.4912 83 K 3.8748 7.6802 119.7989 59.6796 32.0454 178.8662 84 C 4.0766 8.4033 118.3527 62.1298 27.9885 176.0419 85 A 3.9403 8.2821 122.2261 55.1469 17.8230 179.6233 86 A 3.9725 7.7547 118.7639 55.4376 18.5692 179.6549 87 D 4.3799 8.4568 117.5959 56.6366 40.6264 177.8488 88 L 4.5465 8.0239 118.0033 53.9959 41.8354 177.3406 89 G 3.8946 7.6837 106.8423 46.0666 0.0000 175.2702 90 L 4.4163 8.2500 120.9307 54.3015 40.1077 177.7482 91 N 4.8221 7.9416 111.9907 53.4418 37.7382 175.9971 92 K 4.3992 8.0230 115.9951 56.2866 33.0400 175.3660 93 G 3.6756 8.6471 105.1246 44.5603 0.0000 171.5464 94 Y 4.6622 6.9826 114.3536 56.9571 41.1830 172.0434 95 R 4.6981 8.9167 118.8012 55.0835 33.7613 173.8852 96 M 5.1894 8.7198 124.7161 53.7185 34.3583 175.4665 97 V 4.4874 8.6596 122.2669 61.1098 35.6680 174.4563 98 V 4.6314 8.3110 125.7017 61.2979 33.8715 174.2309 99 N 4.6611 8.7946 126.2524 52.0783 39.5067 174.2995 100 E 4.5430 8.7131 124.1023 55.0396 31.9648 176.8681 101 G 3.9801 8.7218 116.1136 45.5666 0.0000 173.2888 102 S 4.0359 8.6777 111.8019 61.6612 62.7351 177.0364 103 D 4.3563 8.2880 118.4325 57.4053 40.5874 178.2421 104 G 4.1304 7.5423 105.3475 45.7652 0.0000 173.4135 105 G 3.7184 8.1161 108.1560 46.3697 0.0000 173.9123 106 Q 4.0223 8.3380 122.3360 55.6124 28.7775 175.9228 107 S 4.1126 8.7966 121.3326 60.4213 63.4253 174.8668 108 V 4.0648 7.2151 119.2350 60.6156 33.8448 175.7421 109 Y 4.8362 8.0661 125.7251 55.2592 36.2342 174.0487 110 H 4.7934 8.2528 114.7988 55.5853 32.2777 173.1548 111 V 3.6502 9.0354 127.8581 62.7740 31.5802 174.8446 112 H 5.2234 8.6668 121.5243 54.1477 31.7679 172.2117 113 L 4.8483 8.9217 123.5122 53.8227 44.1295 175.2488 114 H 4.9359 9.3866 124.0268 55.2936 30.9936 174.6419 115 V 4.7618 7.9993 120.0107 61.2843 34.8472 174.0283 116 L 5.0943 9.4270 127.6007 53.3183 45.4627 175.8669 117 G 3.7584 9.5941 110.5269 47.3568 0.0000 173.8344 118 G 4.2269 10.6126 108.7058 45.6698 0.0000 173.0058 119 R 4.6256 7.2217 113.4020 54.4351 32.3668 174.2302 120 Q 4.0623 8.4625 119.8275 56.2915 29.5930 174.9313 121 M 4.4873 8.3717 124.2365 54.1374 33.8253 175.3477 122 H 5.0019 8.4479 119.4115 54.0710 31.0088 174.0113 123 W 4.6247 8.4780 130.9292 54.5828 32.6613 173.8822 124 P 3.0101 0.0000 0.0000 61.5758 31.7693 175.1124 125 P 4.2337 0.0000 0.0000 61.1681 29.7952 176.5423 126 G 3.9592 7.6794 112.5769 46.5299 0.0000 171.3339 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 *16 D 8.35 4.62 0.00 2.71 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 0.00 0.00 0.00 17 T 8.48 4.66 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 1.25 0.00 0.00 18 I 8.88 3.81 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.91 0.00 0.00 19 F 8.28 4.69 0.00 3.04 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 20 G 7.98 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 0.00 0.00 0.00 21 K 7.86 4.28 0.00 1.76 1.93 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.61 7.81 22 I 7.53 3.62 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 -0.05 0.00 0.00 23 I 7.39 3.62 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.53 0.91 0.00 0.00 24 R 8.11 4.12 0.00 1.79 2.02 0.00 3.63 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 25 K 7.83 3.88 0.00 1.85 1.88 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.38 7.81 26 E 8.40 4.12 0.00 2.14 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 2.33 2.23 0.00 27 I 7.25 4.58 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.90 0.00 0.00 28 P 0.00 4.31 0.00 2.19 2.11 0.00 3.79 0.00 0.00 3.64 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 29 A 7.68 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.17 4.45 0.00 1.81 1.94 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.43 7.81 31 I 7.88 4.21 1.85 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 1.25 0.58 0.95 0.00 0.00 32 I 8.63 4.26 1.70 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.55 0.63 0.00 0.00 33 F 7.77 4.71 0.00 2.98 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 34 E 7.03 4.90 0.00 1.77 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 2.00 2.32 0.00 35 D 8.00 4.48 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.76 4.52 0.00 2.80 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 37 R 8.25 4.60 0.00 2.05 2.18 0.00 2.42 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 38 C 7.66 5.20 0.00 3.30 3.17 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 39 L 9.38 5.29 0.00 1.70 1.56 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.28 5.92 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 41 F 8.01 5.06 0.00 3.08 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 42 H 9.05 4.64 0.00 3.13 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.58 4.42 0.00 2.30 2.36 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 44 I 8.64 3.91 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 1.00 0.00 0.00 45 S 8.33 4.69 0.00 3.83 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 46 P 0.00 4.38 0.00 2.37 2.09 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 47 Q 8.87 4.47 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 48 A 7.70 4.56 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 49 P 0.00 4.32 0.00 2.01 2.20 0.00 3.87 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 2.17 2.18 0.00 50 T 8.14 4.66 4.32 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 1.46 0.00 0.00 51 H 9.12 5.57 0.00 3.16 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.16 5.30 0.00 2.94 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 53 L 8.86 5.16 0.00 0.94 1.40 0.59 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.63 4.99 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 1.24 0.00 0.00 1.07 0.00 0.00 55 I 9.23 5.15 2.11 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 0.69 0.00 0.00 56 P 0.00 4.94 0.00 2.35 2.18 0.00 4.17 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 57 K 9.09 4.24 0.00 1.74 1.95 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.58 7.81 58 K 8.01 4.07 0.00 1.75 1.75 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.45 7.81 59 H 8.64 4.36 0.00 3.18 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.67 4.23 1.88 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 1.46 0.80 0.95 0.00 0.00 61 S 8.84 4.21 0.00 3.88 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 Q 7.52 4.75 0.00 2.56 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 63 I 8.46 3.67 1.91 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 1.50 1.22 1.01 0.00 0.00 64 S 8.16 4.28 0.00 4.06 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 0.00 65 V 7.70 3.95 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 0.64 0.00 0.00 0.95 0.00 0.00 66 A 7.45 3.85 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 67 E 9.10 4.17 0.00 2.24 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 2.33 2.29 0.00 68 D 8.61 4.59 0.00 2.71 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 69 D 8.01 4.52 0.00 2.67 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 70 D 8.38 4.77 0.00 2.77 2.69 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 71 E 7.79 3.92 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 72 S 8.02 4.25 0.00 3.92 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 73 L 7.84 3.99 0.00 1.78 1.87 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.76 4.21 0.00 1.85 1.73 0.95 1.18 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 75 G 7.95 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.82 4.15 0.00 3.37 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.11 3.98 0.00 1.92 1.74 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 78 M 7.60 4.10 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.61 0.00 79 I 7.97 3.66 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.88 0.00 0.00 80 V 8.06 3.41 2.14 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 1.01 0.00 0.00 0.72 0.00 0.00 81 G 8.45 3.96 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 0.00 82 K 8.17 4.32 0.00 2.24 2.23 0.00 1.52 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.69 7.81 83 K 7.68 3.87 0.00 1.75 1.67 0.00 1.53 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.53 7.81 84 C 8.40 4.08 0.00 2.90 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.28 3.94 0.65 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 0.00 0.00 86 A 7.75 3.97 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 87 D 8.46 4.38 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.02 4.55 0.00 1.69 1.67 0.49 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.68 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.25 4.42 0.00 1.68 1.78 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 91 N 7.94 4.82 0.00 2.84 2.95 0.00 0.00 6.13 7.13 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 92 K 8.02 4.40 0.00 1.76 1.84 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.36 7.81 93 G 8.65 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 0.00 0.00 0.00 94 Y 6.98 4.66 0.00 3.11 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 95 R 8.92 4.70 0.00 1.83 1.77 0.00 3.10 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 96 M 8.72 5.19 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 97 V 8.66 4.49 1.99 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 0.77 0.00 0.00 0.89 0.00 0.00 98 V 8.31 4.63 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 0.90 0.00 0.00 0.95 0.00 0.00 99 N 8.79 4.66 0.00 2.75 2.92 0.00 0.00 6.94 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 0.00 100 E 8.71 4.54 0.00 2.05 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 2.30 2.37 0.00 101 G 8.72 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 0.00 102 S 8.68 4.04 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.29 4.36 0.00 2.69 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 0.00 104 G 7.54 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.12 3.72 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 0.00 0.00 0.00 106 Q 8.34 4.02 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 107 S 8.80 4.11 0.00 3.93 3.95 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 0.00 108 V 7.22 4.06 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 0.18 0.00 0.00 0.10 0.00 0.00 109 Y 8.07 4.84 0.00 3.10 2.86 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 0.00 110 H 8.25 4.79 0.00 3.28 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 9.04 3.65 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 1.00 0.00 0.00 112 H 8.67 5.22 0.00 3.17 3.42 0.00 5.54 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.92 4.85 0.00 1.77 1.71 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 114 H 9.39 4.94 0.00 2.97 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.00 4.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.64 0.00 0.00 116 L 9.43 5.09 0.00 1.54 1.44 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 117 G 9.59 3.76 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 0.00 0.00 0.00 118 G 10.61 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 0.00 0.00 0.00 119 R 7.22 4.63 0.00 1.89 1.89 0.00 3.05 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 120 Q 8.46 4.06 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 121 M 8.37 4.49 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 122 H 8.45 5.00 0.00 3.15 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.48 4.62 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 3.01 0.00 1.94 1.65 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 125 P 0.00 4.23 0.00 2.01 1.81 0.00 2.89 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.00 126 G 7.68 3.96 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 0.00 * Residues marked with a * may have inaccurate shift predictions.