NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5290 8.1627 120.3617 55.9841 34.4206 177.2899 2 M 3.9517 8.1258 117.5383 57.9609 32.2882 176.1180 3 D 4.3461 8.3985 117.9491 57.4883 41.7851 177.0766 4 Y 4.1277 7.9346 119.5281 60.7856 38.8750 177.7751 5 L 3.7479 8.3871 120.3031 57.5567 41.4337 179.6629 6 I 3.9006 7.8116 119.4248 64.7326 37.2481 178.4053 7 T 4.1247 8.1349 109.2615 63.7504 68.7511 175.1877 8 Q 4.3100 7.6138 118.7450 54.6144 29.4081 175.3854 9 N 4.1055 7.9404 114.3025 54.2824 36.3047 174.6416 10 G 4.0299 8.7936 100.1143 45.2183 0.0000 174.8948 11 G 3.8833 7.8867 111.0894 47.3675 0.0000 175.5370 12 M 4.0042 8.2166 120.1861 59.1382 32.0011 178.5357 13 V 3.5227 7.5729 111.7438 64.3228 31.5572 178.5167 14 F 4.4410 7.8632 116.9948 60.2010 38.7821 177.7527 15 A 4.0914 8.1080 120.3037 54.9063 18.2076 179.6992 16 V 3.5106 8.0009 117.0235 66.0942 31.6551 177.9897 17 L 3.9939 8.0478 119.9205 57.9958 41.8760 178.7745 18 A 4.1713 8.1547 122.1560 54.9930 18.3924 179.5058 19 M 4.0181 8.1093 116.9334 58.3672 31.9544 178.8585 20 A 3.9716 8.2198 121.1407 55.3368 18.1846 179.6351 21 T 4.0235 8.5018 108.4543 65.1480 68.3976 176.2621 22 A 4.0893 8.1890 123.9482 54.9911 18.4380 179.8303 23 T 3.8260 7.9356 114.0519 66.8901 68.5582 177.0487 24 I 3.5175 7.9606 121.9465 64.6022 37.2310 178.6979 25 F 4.1592 7.8012 118.2356 60.2910 38.7224 178.1473 26 S 4.3165 7.8686 114.0602 61.3418 62.8983 176.8176 27 G 3.5831 8.2351 109.3988 47.5001 0.0000 175.7327 28 I 3.7796 8.1776 122.8097 63.9474 37.1417 178.5767 29 G 3.6860 7.9417 106.2884 48.0906 0.0000 175.8882 30 S 4.5142 8.3714 119.1174 60.6359 62.7935 176.5857 31 A 3.9261 8.4393 123.8279 55.1310 18.0877 179.9197 32 K 4.0082 8.4164 117.2998 59.4492 32.1805 179.9545 33 G 3.5378 8.1314 105.9455 47.9093 0.0000 175.9681 34 V 3.9737 8.0122 123.3106 64.8031 31.4794 178.2473 35 G 3.5733 8.3425 105.7376 48.1067 0.0000 175.2549 36 M 4.1950 8.4706 121.8947 58.5897 32.2025 178.5136 37 T 4.0548 8.1689 115.9549 66.3794 68.4791 176.9755 38 G 3.6654 8.3217 108.0910 47.8373 0.0000 175.6179 39 E 3.9675 8.4119 120.6677 59.1461 29.4830 179.3375 40 A 3.9968 7.9302 120.2350 55.0371 18.4568 179.5520 41 A 3.9490 8.4708 119.5665 55.2401 18.3144 179.7506 42 A 3.9893 8.3964 119.3728 55.2237 18.2281 179.7206 43 A 3.9559 7.7621 118.2775 55.1723 18.7483 179.3057 44 L 4.0654 8.0140 118.8940 58.6881 40.6673 179.3989 45 T 4.2332 8.1389 115.6736 66.4038 68.0813 176.6419 46 T 4.1517 7.6868 111.4896 63.8391 68.6725 175.5977 47 S 4.6823 7.5334 114.4877 58.0623 66.3900 174.3269 48 Q 4.8620 8.6340 120.0720 52.4142 28.6542 174.3127 49 P 4.4779 0.0000 0.0000 64.7231 32.5488 178.8829 50 E 4.1565 8.2203 116.8764 58.1091 29.9368 177.7941 51 K 4.4897 8.0563 119.4891 56.4939 32.6100 177.8862 52 F 4.3021 8.2906 124.2302 61.4748 39.2728 177.3613 53 G 3.4946 8.1590 104.5682 48.1178 0.0000 175.5027 54 Q 3.9774 7.9893 120.2205 58.3127 28.7505 178.5644 55 A 3.9474 7.9153 122.0368 54.9115 18.4900 179.4746 56 L 3.6828 7.8866 119.3248 58.0726 41.8470 179.1644 57 I 3.6132 7.1910 118.4235 64.4731 36.9783 177.9513 58 L 4.0935 7.7931 119.6886 57.9662 41.0010 179.4613 59 Q 3.9626 7.9722 119.3525 58.9567 28.8885 177.9550 60 L 4.1927 7.7093 118.8681 56.2699 41.5311 178.9046 61 L 3.9235 7.2562 118.5010 57.6633 41.6881 176.9836 62 P 5.2974 0.0000 0.0000 62.7445 31.2952 177.9801 63 G 3.7928 8.2218 107.3590 46.3397 0.0000 176.2766 64 T 3.6341 7.7446 111.6971 64.0615 69.0729 176.4483 65 Q 4.3335 8.3139 121.0077 59.3977 28.8052 179.4072 66 G 3.7352 8.4931 106.5163 47.7815 0.0000 175.6826 67 L 4.0070 7.1699 119.2476 57.7060 41.5301 178.9395 68 Y 4.2465 8.0000 117.2026 61.1252 37.7708 178.9016 69 G 4.3249 8.3147 107.8623 47.3106 0.0000 175.2441 70 F 4.1722 8.4106 123.2462 61.0785 39.3768 177.3002 71 V 3.7326 8.3753 117.9215 66.1635 31.3867 177.9812 72 I 3.8064 8.4817 119.5041 64.4828 37.0341 178.2022 73 A 4.0110 8.3590 121.8523 55.2571 18.1643 179.5111 74 F 3.9613 8.3730 119.3405 61.0881 39.1701 177.2391 75 L 3.9620 8.0660 119.6025 57.9776 42.1558 178.7580 76 I 3.5774 7.7970 119.9275 63.9880 36.8829 177.8586 77 F 3.9340 7.9964 122.2071 61.2294 39.1074 177.0213 78 I 3.5235 7.1688 110.9762 62.4004 37.4500 176.0550 79 N 4.7922 7.6462 118.0659 52.9207 38.5784 174.7967 80 L 4.5314 7.2465 117.0165 55.4254 41.0972 178.1741 81 G 3.8447 7.6861 109.1378 44.9611 0.0000 173.0064 82 S 4.6515 7.3217 115.3790 57.4847 65.6959 174.1765 83 D 4.8659 8.3553 113.1005 52.7697 39.3639 175.9064 84 M 4.0365 8.1295 118.4689 56.8127 33.1947 176.2886 85 S 4.4406 8.4950 120.8211 57.9258 65.5428 175.3823 86 V 3.7485 8.2766 121.8204 66.0690 31.2001 178.1604 87 V 3.4819 7.7883 117.5419 66.2376 31.3741 177.6311 88 Q 3.9176 7.9632 118.8994 58.9493 28.8774 178.3981 89 G 3.9133 8.3112 106.7543 48.0989 0.0000 175.7296 90 L 3.9535 8.3810 122.3133 57.2322 41.4927 179.3142 91 N 4.2366 8.4023 116.8751 56.3941 38.5671 177.4020 92 F 4.2848 8.1643 119.0522 60.4139 38.7645 177.4483 93 L 4.2023 8.1101 119.1374 58.2719 42.1102 179.0105 94 G 3.7423 8.5890 105.8554 47.7538 0.0000 175.5466 95 A 4.0724 8.2573 123.3287 54.7455 18.4729 179.6178 96 S 4.2916 8.0718 112.1172 60.8308 63.2673 176.7384 97 L 4.1844 7.7603 123.3915 57.3288 41.4080 177.2571 98 P 4.3558 0.0000 0.0000 65.9322 31.3814 178.5072 99 I 3.8439 7.9716 116.9713 63.7834 37.8837 177.5481 100 A 3.9475 7.9878 121.5099 55.3272 18.2333 179.3558 101 F 4.5631 8.3347 115.5568 59.8238 39.3612 178.6545 102 T 4.2602 8.3537 109.9989 64.5471 68.5641 176.9619 103 G 3.7214 8.3837 108.6313 47.5405 0.0000 175.2427 104 L 3.9788 8.0506 123.2733 58.0568 42.1729 179.1569 105 F 4.2554 8.3960 117.7642 60.3193 38.8910 178.1490 106 S 4.4530 8.7377 114.3176 61.0995 62.8876 176.8329 107 G 3.6371 8.2174 109.5571 47.7475 0.0000 175.8231 108 I 3.7296 7.6034 122.4350 64.0641 36.7793 178.3975 109 A 4.0555 8.1705 121.6097 55.3080 18.1856 179.5011 110 Q 4.0969 8.6676 118.5917 59.0719 29.0546 178.3772 111 G 3.7016 8.2693 106.9365 47.8675 0.0000 175.7800 112 K 4.0187 7.8834 120.9870 59.1216 32.0560 179.7131 113 V 3.5921 7.5474 117.8309 65.8954 31.3814 177.9767 114 A 4.0175 8.4879 120.7864 55.1078 18.0085 179.3902 115 A 3.9380 8.1966 118.3777 55.3824 18.6355 179.4666 116 A 4.1884 8.2435 119.3266 55.1770 18.3891 180.1102 117 G 3.6654 8.2013 104.3379 47.7920 0.0000 175.9124 118 I 3.7704 7.5314 122.0298 64.6168 37.0753 178.4259 119 Q 4.0132 8.0129 118.7444 58.7307 28.3953 178.7548 120 I 3.7356 7.7509 120.5750 64.3303 37.0330 177.8719 121 L 3.8674 7.7678 119.6206 58.1083 41.9166 178.6126 122 A 4.1371 8.0411 119.9082 54.8766 18.4421 179.0094 123 K 4.3374 7.9802 114.9180 57.1051 34.5279 177.5874 124 K 4.7058 8.5042 118.0041 53.5071 32.6518 174.8791 125 P 4.4446 0.0000 0.0000 65.6173 31.6993 179.1709 126 E 4.0810 8.1687 115.0117 58.2688 29.9267 176.8653 127 H 4.7635 8.4831 116.8844 55.5859 29.4625 176.0674 128 A 4.0443 7.9029 124.7716 55.7215 17.9190 180.5738 129 T 3.8185 7.9363 113.7103 66.7343 68.4556 176.5954 130 K 3.7485 8.2016 120.6285 59.2359 32.0718 179.5419 131 G 3.7434 7.8854 105.5293 47.7507 0.0000 175.7975 132 I 3.7040 7.6508 121.6763 64.1967 36.9861 178.3433 133 I 3.6227 7.4730 119.1211 64.3710 37.1053 177.9585 134 F 4.6386 7.7850 118.2835 60.9779 38.6927 177.7880 135 A 4.0825 8.1776 119.7042 55.0651 17.9736 179.4313 136 A 4.0819 8.2751 118.4407 55.0012 18.4665 179.3835 137 M 4.2186 7.6968 117.0262 57.7695 32.4630 177.5237 138 V 4.0805 7.6579 120.4975 63.2334 31.5889 177.8763 *140 T 4.0785 8.0036 117.0852 63.6988 70.4938 176.5070 141 Y 4.1466 7.0984 118.1158 60.4803 37.8129 178.0695 142 A 4.1106 8.0460 121.7589 54.9454 18.5103 179.3992 143 I 3.1690 7.5694 117.8330 64.5014 37.2573 178.4026 144 L 4.0722 8.0310 119.7934 57.7332 41.3806 179.8259 145 G 3.9011 8.1121 106.9793 47.1938 0.0000 175.3684 146 F 4.2221 8.6787 123.6178 61.0508 39.3163 177.3918 147 V 3.3907 8.1054 118.0198 65.9667 31.2834 178.0223 148 I 3.6957 7.7811 119.4911 64.5093 36.8842 178.4619 149 S 4.4295 8.1891 117.4162 60.9259 62.8073 176.4902 150 F 3.7502 8.4353 123.3878 61.3151 38.9492 177.1537 151 L 4.0719 8.1744 118.5283 57.9501 41.2176 179.6430 152 L 3.9567 7.9215 117.8971 57.4854 41.6427 179.4685 153 V 3.7991 8.0172 118.6711 66.0661 31.3190 178.2049 154 L 3.9581 7.5231 116.9106 56.7025 41.4215 177.9225 155 N 4.7064 7.2209 114.4258 53.0218 39.1684 174.2786 156 A 3.8174 7.2659 127.5005 52.6781 18.2899 177.6891 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.13 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.40 4.35 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 4 Y 7.93 4.13 0.00 3.10 3.16 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 0.00 0.00 0.00 5 L 8.39 3.75 0.00 1.93 1.74 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.81 3.90 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 1.60 0.55 0.92 0.00 0.00 7 T 8.13 4.12 4.24 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 1.24 0.00 0.00 8 Q 7.61 4.31 0.00 1.56 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 9 N 7.94 4.11 0.00 2.87 2.91 0.00 0.00 6.92 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 10 G 8.79 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 11 G 7.89 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 12 M 8.22 4.00 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 13 V 7.57 3.52 1.82 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 0.60 0.00 0.00 0.19 0.00 0.00 14 F 7.86 4.44 0.00 3.29 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.11 4.09 1.24 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 0.00 0.00 16 V 8.00 3.51 2.21 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 0.99 0.00 0.00 0.99 0.00 0.00 17 L 8.05 3.99 0.00 2.03 2.01 1.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.15 4.17 1.53 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 0.00 0.00 19 M 8.11 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.75 0.00 20 A 8.22 3.97 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 21 T 8.50 4.02 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 22 A 8.19 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.94 3.83 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 1.30 0.00 0.00 24 I 7.96 3.52 1.42 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 1.35 0.64 0.19 0.00 0.00 25 F 7.80 4.16 0.00 2.81 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 26 S 7.87 4.32 0.00 4.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.24 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.18 3.78 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.89 0.00 0.00 29 G 7.94 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.37 4.51 0.00 3.89 3.90 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 31 A 8.44 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.01 0.00 2.00 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 33 G 8.13 3.54 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 0.00 34 V 8.01 3.97 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 1.18 0.00 0.00 1.02 0.00 0.00 35 G 8.34 3.57 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 36 M 8.47 4.19 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.17 4.05 4.24 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 1.24 0.00 0.00 38 G 8.32 3.67 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 0.00 0.00 0.00 39 E 8.41 3.97 0.00 2.22 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 2.34 2.53 0.00 40 A 7.93 4.00 1.32 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 0.00 0.00 41 A 8.47 3.95 1.38 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 0.00 0.00 42 A 8.40 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.76 3.96 1.38 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 0.00 0.00 44 L 8.01 4.07 0.00 1.81 1.87 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.14 4.23 4.43 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 1.25 0.00 0.00 46 T 7.69 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 47 S 7.53 4.68 0.00 4.07 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 48 Q 8.63 4.86 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 49 P 0.00 4.48 0.00 2.20 2.41 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 50 E 8.22 4.16 0.00 2.16 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 2.38 2.29 0.00 51 K 8.06 4.49 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.29 4.30 0.00 3.17 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 53 G 8.16 3.49 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 0.00 0.00 0.00 0.00 54 Q 7.99 3.98 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.92 3.95 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 56 L 7.89 3.68 0.00 0.98 1.36 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.19 3.61 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.86 0.00 0.00 58 L 7.79 4.09 0.00 1.82 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.97 3.96 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 60 L 7.71 4.19 0.00 1.84 1.63 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.26 3.92 0.00 1.84 1.76 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.30 0.00 2.25 2.08 0.00 4.06 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 2.27 2.05 0.00 63 G 8.22 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 0.00 0.00 0.00 64 T 7.74 3.63 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 1.05 0.00 0.00 65 Q 8.31 4.33 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 66 G 8.49 3.74 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 0.00 0.00 0.00 67 L 7.17 4.01 0.00 1.54 1.51 0.72 0.61 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 68 Y 8.00 4.25 0.00 3.24 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 69 G 8.31 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 0.00 0.00 0.00 0.00 70 F 8.41 4.17 0.00 3.26 3.27 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 71 V 8.38 3.73 2.63 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 1.43 0.00 0.00 1.14 0.00 0.00 72 I 8.48 3.81 2.20 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 2.10 1.21 1.00 0.00 0.00 73 A 8.36 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 74 F 8.37 3.96 0.00 2.74 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 75 L 8.07 3.96 0.00 1.88 1.87 0.80 0.25 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 76 I 7.80 3.58 1.89 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 1.44 0.84 0.32 0.00 0.00 77 F 8.00 3.93 0.00 2.95 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 78 I 7.17 3.52 1.70 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 1.31 0.61 0.49 0.00 0.00 79 N 7.65 4.79 0.00 2.84 2.94 0.00 0.00 6.74 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 80 L 7.25 4.53 0.00 1.44 1.32 0.65 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.69 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 82 S 7.32 4.65 0.00 3.92 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 83 D 8.36 4.87 0.00 2.73 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 84 M 8.13 4.04 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.65 0.00 85 S 8.50 4.44 0.00 4.09 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 86 V 8.28 3.75 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 0.97 0.00 0.00 1.10 0.00 0.00 87 V 7.79 3.48 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 1.01 0.00 0.00 0.90 0.00 0.00 88 Q 7.96 3.92 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 89 G 8.31 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 0.00 0.00 0.00 90 L 8.38 3.95 0.00 1.66 1.57 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.40 4.24 0.00 2.65 2.61 0.00 0.00 6.98 8.49 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 92 F 8.16 4.28 0.00 3.36 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.11 4.20 0.00 1.94 1.96 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.59 3.74 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 0.00 0.00 0.00 95 A 8.26 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.07 4.29 0.00 4.27 4.24 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 97 L 7.76 4.18 0.00 1.87 1.98 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.35 2.18 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 7.97 3.84 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.43 1.13 0.00 0.00 100 A 7.99 3.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.33 4.56 0.00 3.28 3.30 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 0.00 102 T 8.35 4.26 4.54 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 1.36 0.00 0.00 103 G 8.38 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 0.00 104 L 8.05 3.98 0.00 2.03 1.84 0.87 0.80 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 0.00 105 F 8.40 4.26 0.00 3.42 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.74 4.45 0.00 4.38 4.36 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 0.00 107 G 8.22 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 0.00 108 I 7.60 3.73 1.90 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 1.44 0.85 0.94 0.00 0.00 109 A 8.17 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.67 4.10 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 111 G 8.27 3.70 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 0.00 0.00 0.00 112 K 7.88 4.02 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.55 3.59 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 1.14 0.00 0.00 1.01 0.00 0.00 114 A 8.49 4.02 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.20 3.94 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 0.00 116 A 8.24 4.19 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 0.00 117 G 8.20 3.67 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 0.00 0.00 0.00 118 I 7.53 3.77 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.92 0.95 0.00 0.00 119 Q 8.01 4.01 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 120 I 7.75 3.74 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.94 1.01 0.00 0.00 121 L 7.77 3.87 0.00 1.65 1.97 0.92 1.12 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 0.00 122 A 8.04 4.14 1.38 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 0.00 0.00 123 K 7.98 4.34 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.62 7.81 124 K 8.50 4.71 0.00 1.75 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.50 7.81 125 P 0.00 4.44 0.00 2.21 2.42 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.17 4.08 0.00 2.02 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 0.00 1.98 2.18 0.00 127 H 8.48 4.76 0.00 3.29 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.90 4.04 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 0.00 129 T 7.94 3.82 4.19 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 1.15 0.00 0.00 130 K 8.20 3.75 0.00 1.91 1.56 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.40 7.81 131 G 7.89 3.74 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 0.00 0.00 0.00 132 I 7.65 3.70 2.00 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 1.61 0.67 0.88 0.00 0.00 133 I 7.47 3.62 1.69 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 1.44 0.49 0.79 0.00 0.00 134 F 7.78 4.64 0.00 3.29 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 0.00 135 A 8.18 4.08 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 0.00 136 A 8.28 4.08 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 0.00 137 M 7.70 4.22 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.03 0.00 138 V 7.66 4.08 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 1.18 0.00 0.00 1.03 0.00 0.00 *140 T 8.00 4.08 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 0.72 0.00 0.00 141 Y 7.10 4.15 0.00 3.23 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 0.00 142 A 8.05 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 0.00 143 I 7.57 3.17 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 0.82 0.00 0.00 144 L 8.03 4.07 0.00 1.89 1.76 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.11 3.90 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 0.00 0.00 0.00 146 F 8.68 4.22 0.00 2.78 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 0.00 147 V 8.11 3.39 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 1.02 0.00 0.00 0.94 0.00 0.00 148 I 7.78 3.70 1.90 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 1.73 0.71 0.93 0.00 0.00 149 S 8.19 4.43 0.00 4.11 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 0.00 150 F 8.44 3.75 0.00 2.56 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 0.00 151 L 8.17 4.07 0.00 1.90 1.72 0.94 0.60 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 0.00 152 L 7.92 3.96 0.00 1.80 1.70 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.02 3.80 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 1.11 0.00 0.00 1.05 0.00 0.00 154 L 7.52 3.96 0.00 1.76 1.65 0.96 0.57 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 0.00 155 N 7.22 4.71 0.00 2.67 2.75 0.00 0.00 7.16 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 0.00 156 A 7.27 3.82 0.18 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.