NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1012 8.0549 120.3917 62.3769 32.5088 175.2026 2 L 3.9416 8.2948 127.5811 52.5329 42.2318 176.0735 3 S 4.5189 9.7435 119.3047 57.8088 66.1582 175.1305 4 E 4.2922 8.8050 121.4910 59.5866 29.2821 179.8533 5 G 3.6292 8.1067 105.2912 47.7788 0.0000 175.3696 6 E 3.9174 8.2008 120.9746 59.0412 29.4237 179.4872 7 W 4.3989 8.1984 118.9839 59.8667 29.0829 178.2415 8 Q 4.1162 8.6033 119.7341 59.2932 28.3323 178.5140 9 L 4.0776 7.9765 119.6977 57.6653 41.6597 179.5790 10 V 3.7577 8.0324 118.1726 66.2619 31.6242 178.0214 11 L 4.3725 8.6209 118.3174 57.1735 41.3098 178.9061 12 H 4.2529 8.3411 118.5471 59.1903 30.2660 177.3009 13 V 3.7419 7.8607 120.9964 64.5156 31.3548 178.1809 14 W 3.7902 8.6112 128.8175 59.9824 30.0163 177.7999 15 A 4.0289 8.2394 120.8747 54.9358 17.5838 179.7408 16 K 3.5562 7.6884 116.9222 59.2578 31.9160 179.7870 17 V 3.0166 6.9695 119.1611 65.5675 31.3431 177.4361 18 E 3.9470 7.0345 116.3304 57.6600 29.2734 177.6907 19 A 4.1042 7.2779 120.4200 54.3985 19.1115 177.9391 20 D 4.7250 8.0029 115.1270 52.2367 42.6850 175.6156 21 V 3.5069 7.8110 123.4721 65.9162 32.1091 176.8197 22 A 4.0623 7.9897 120.1608 54.9569 18.2854 179.6984 23 G 3.6676 8.3678 105.6662 45.5139 0.0000 175.6837 24 H 4.1638 8.2195 118.8668 58.5356 28.6601 178.2124 25 G 3.5733 8.3296 107.6825 47.6509 0.0000 175.8127 26 Q 3.8699 8.1632 120.3424 58.9688 28.7604 178.6525 27 D 4.2903 7.9838 119.7665 57.3264 40.7302 179.0538 28 I 3.6501 7.9894 120.6168 64.3815 37.0723 178.5441 29 L 3.4152 7.8146 119.8725 57.4912 41.2220 179.6360 30 I 3.5681 7.6362 119.9096 64.2245 36.9474 178.3357 31 R 3.7753 7.9252 119.5191 59.2818 29.8599 178.0982 32 L 3.9427 7.8930 120.2006 58.4588 41.5353 179.1074 33 F 4.5588 8.1116 117.8811 60.5172 38.5708 177.9827 34 K 4.0353 8.2080 117.7030 59.6247 31.9750 179.3931 35 S 4.3135 8.1743 114.5515 60.3173 64.0260 174.5511 36 H 4.6567 8.1531 118.4830 52.2944 29.7209 171.9523 37 P 4.5674 0.0000 0.0000 64.2227 31.2178 177.4584 38 E 4.1193 8.2190 116.5562 59.3139 29.3520 179.1307 39 T 4.0445 8.1694 111.7175 64.6789 68.8740 176.3900 40 L 3.5736 7.9368 122.9436 57.6469 41.7982 178.5006 41 E 4.0372 7.7528 117.0538 58.7151 29.6251 178.2936 42 K 4.4526 8.0563 116.9242 56.8267 32.5256 177.2276 43 F 4.6148 8.1602 119.3541 55.6635 39.6808 175.6306 44 D 4.3497 8.5908 125.2642 57.3945 40.4558 178.7554 45 R 3.5553 7.8830 117.8198 58.4317 30.1938 176.6835 46 F 5.0847 8.1537 114.7459 56.6334 40.8828 176.5280 47 K 4.1251 7.6538 119.4197 58.6632 32.4444 177.6872 48 H 4.3761 8.0859 114.5518 57.1228 28.9169 175.1807 49 L 4.3180 7.7108 121.8951 54.3758 41.5907 176.6633 50 K 4.5219 9.4856 122.9461 56.1143 34.0846 176.6152 51 T 4.7468 7.4706 108.7538 58.9208 73.1727 174.1772 52 E 3.9159 8.6633 121.7251 59.3082 29.6945 178.8084 53 A 3.9730 7.9782 120.4941 55.2424 18.2375 179.3167 54 E 3.9450 8.1171 116.1338 59.6681 29.9139 179.1065 55 M 4.1658 8.1516 118.7687 58.4974 31.8545 179.0724 56 K 4.0034 8.1981 117.2116 58.8619 32.2761 178.5061 57 A 4.4319 7.6487 118.9857 51.8188 19.1580 177.0764 58 S 4.3310 7.5105 113.6521 57.2845 62.6766 174.4505 59 E 4.0096 8.8504 129.3759 59.2567 29.4393 177.9614 60 D 4.4167 8.1859 117.9096 57.1407 41.2848 177.7934 61 L 3.4215 8.1145 120.9888 57.8030 42.1362 178.8360 62 K 3.8582 7.9399 119.3547 59.4092 32.1375 178.8579 63 K 3.9977 8.3636 118.9578 59.8830 31.9506 178.8425 64 H 4.4198 8.7152 118.6691 59.0723 29.7363 177.3658 65 G 3.6348 8.3868 108.0005 47.8703 0.0000 175.7810 66 V 3.6099 7.7516 120.3378 65.9116 31.5532 178.0693 67 T 3.8814 7.9810 115.4978 66.7064 68.3166 176.5835 68 V 3.5849 7.9118 119.9292 66.2601 31.5898 178.1758 69 L 4.2623 8.2109 118.4866 57.7175 41.4104 179.7059 70 T 3.9569 8.3724 116.3123 66.5467 68.5089 176.5298 71 A 3.9977 8.0180 122.7085 55.0788 18.3641 179.4528 72 L 3.7902 8.1902 119.1058 58.0966 42.0894 179.4093 73 G 3.2268 8.4899 105.8912 47.6265 0.0000 175.5454 74 A 3.9964 7.7515 122.1946 54.8153 18.6240 179.6102 75 I 3.8231 7.4973 118.2107 64.5199 37.1755 178.6083 76 L 3.9676 7.9238 120.2255 57.6530 41.2054 179.5031 77 K 3.9823 7.8127 116.6455 58.1829 32.2087 178.5672 78 K 3.9878 7.8264 118.3038 55.7496 32.7720 176.4236 79 K 2.0000 8.2737 118.6193 56.3476 29.8119 175.3502 80 G 3.9177 7.7315 105.9746 45.8772 0.0000 173.5947 81 H 4.5438 7.4397 118.8820 55.5494 27.6699 175.0358 82 H 5.2543 7.3410 110.2103 54.4622 29.7184 176.3978 83 E 3.9192 8.4721 122.6780 60.2065 29.1495 178.4552 84 A 4.0510 7.9334 118.9213 55.1012 18.4712 178.9105 85 E 4.1373 8.1014 116.7186 59.2808 29.7781 179.1326 86 L 4.1941 8.2595 119.2990 57.3173 41.6227 179.0207 87 K 3.8139 8.0468 118.8542 59.5388 32.0003 177.3232 88 P 4.4043 0.0000 0.0000 65.6873 31.2635 178.2285 89 L 3.9736 7.5414 120.2077 57.9007 42.0261 178.7232 90 A 4.1129 8.5246 121.0878 55.2943 18.3457 179.6223 91 Q 3.7929 8.2429 116.8243 59.1604 28.7538 179.3078 92 S 4.0127 8.2991 115.4639 61.6795 63.0063 176.2070 93 H 4.1689 8.6898 119.8979 58.1532 27.9303 177.7277 94 A 2.9102 8.0601 123.3486 54.6964 17.8755 179.2973 95 T 3.7168 7.1388 105.6008 62.0037 69.7147 175.4133 96 K 4.1856 7.4153 120.5345 58.3647 33.2706 176.9772 97 H 4.3036 8.0249 114.3784 56.2513 29.3386 175.3931 98 K 3.7575 6.9995 114.1255 57.3839 29.2134 176.4502 99 I 4.2259 7.8608 119.3296 58.8072 38.5332 175.0796 100 P 4.4544 0.0000 0.0000 62.1418 32.0906 177.4765 101 I 3.3880 8.4491 122.1413 64.6432 36.8790 178.4462 102 K 3.6665 7.9112 119.6608 59.7678 31.9463 178.1448 103 Y 4.0844 8.0399 116.5787 60.4396 37.7431 178.0661 104 L 4.1961 7.8976 120.4949 57.4203 41.6223 178.9269 105 E 3.9699 7.9005 119.1030 59.2425 29.6358 178.6807 106 F 4.4801 7.8021 117.8528 60.8216 38.9027 177.5730 107 I 3.8989 8.1701 118.1053 63.9279 37.7643 178.0952 108 S 4.1739 8.2956 116.4377 61.6089 62.6304 176.4168 109 E 4.0779 8.5882 121.1531 59.3117 29.1856 179.3156 110 A 4.0244 8.1779 120.9044 55.0803 18.4267 179.5735 111 I 3.6806 8.0794 118.6386 64.7932 37.2689 178.6930 112 I 3.8455 7.9308 120.3979 64.6195 36.9036 177.9983 113 H 4.1455 8.4796 119.1023 59.3761 29.6697 177.5196 114 V 3.5510 7.9816 120.0392 65.9645 31.3432 177.9929 115 L 3.7383 7.9526 118.8761 57.7679 41.0432 179.0000 116 H 4.4189 7.9552 117.4492 59.3640 29.9364 177.2442 117 S 4.1612 7.9254 115.9697 61.6068 62.7872 176.4608 118 R 4.0731 7.8342 118.8659 57.4466 31.0835 176.3717 119 H 5.0337 8.0909 116.1674 54.0803 29.9017 173.2268 120 P 4.3068 0.0000 0.0000 65.8047 31.6880 179.0571 121 G 3.7260 8.1163 106.3148 47.3826 0.0000 173.5964 122 D 5.0244 8.0784 118.2720 54.0232 41.5722 176.5299 123 F 4.9816 8.0242 120.8998 56.2795 39.6854 174.5191 124 G 3.8913 7.8510 108.3060 44.0131 0.0000 172.5120 125 A 3.9269 8.4010 120.8637 54.9617 18.3040 179.5204 126 D 4.1855 7.9746 116.9887 56.7774 39.3963 178.6987 127 A 3.9802 7.7694 122.0309 54.5776 18.3409 179.4483 128 Q 3.2069 8.0024 117.2640 58.6811 28.6640 179.2312 129 G 3.4650 8.2484 106.9278 47.5742 0.0000 175.7307 130 A 3.8728 7.9769 123.2174 55.1139 18.3275 179.4617 131 M 4.0038 8.4266 117.1560 58.6172 32.2317 177.8824 132 N 4.3030 8.5090 117.7211 56.6513 39.0440 177.0155 133 K 3.8865 8.0722 119.6196 59.3103 32.1144 179.1959 134 A 3.8190 8.0799 121.2953 55.1979 18.2477 179.7430 135 L 4.0924 8.2471 117.5829 57.6857 41.6784 179.5488 136 E 3.9905 8.5672 119.2452 59.1821 29.3216 179.0125 137 L 3.9872 8.1971 120.5661 58.0028 42.1314 178.5502 138 F 4.1339 8.3426 120.6040 61.7161 39.2655 177.4156 139 R 3.6189 8.3548 117.5400 58.8577 29.8036 178.9628 140 K 3.8516 8.5006 119.8553 59.7530 32.0412 178.6634 141 D 4.3742 8.2684 119.1650 57.1534 40.6736 178.8235 142 I 3.5234 7.6444 120.3518 64.1979 36.9338 178.2759 143 A 3.7181 8.1845 121.8056 54.9928 18.1578 179.5777 144 A 3.9762 7.9664 119.3636 55.1574 18.4395 180.0940 145 K 4.0106 7.8759 117.1174 59.7062 32.0850 179.1210 146 Y 4.0821 8.5753 117.5249 61.0313 37.7976 178.6997 147 K 3.9850 8.5889 120.8625 59.3735 32.0802 178.0410 148 E 3.9248 7.9833 118.5428 59.5883 29.6383 178.4854 149 L 4.4249 7.6870 115.0724 55.1664 41.9494 177.7125 150 G 3.8243 8.1723 107.5055 45.7366 0.0000 173.5057 151 Y 4.5939 8.2330 114.3321 57.3823 38.6961 176.7701 152 Q 4.1295 8.2886 123.4343 57.0498 29.5728 176.0996 153 G 4.0816 8.1500 110.5426 45.6936 0.0000 172.9187 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 V 8.05 4.10 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.29 3.94 0.00 0.65 0.64 0.56 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.74 4.52 0.00 4.03 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 4 E 8.81 4.29 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 5 G 8.11 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 6 E 8.20 3.92 0.00 1.94 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 7 W 8.20 4.40 0.00 3.52 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 8 Q 8.60 4.12 0.00 2.29 2.26 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 2.42 2.49 0.00 9 L 7.98 4.08 0.00 1.99 1.75 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.03 3.76 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 1.23 0.00 0.00 0.90 0.00 0.00 11 L 8.62 4.37 0.00 1.84 1.82 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.34 4.25 0.00 3.32 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.86 3.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.82 0.00 0.00 14 W 8.61 3.79 0.00 3.68 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.24 4.03 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 16 K 7.69 3.56 0.00 1.41 1.52 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.43 7.81 17 V 6.97 3.02 0.79 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 -0.12 0.00 0.00 0.06 0.00 0.00 18 E 7.03 3.95 0.00 1.78 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 2.23 2.05 0.00 19 A 7.28 4.10 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 20 D 8.00 4.73 0.00 2.64 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 21 V 7.81 3.51 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 1.06 0.00 0.00 0.91 0.00 0.00 22 A 7.99 4.06 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 23 G 8.37 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 24 H 8.22 4.16 0.00 3.28 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.33 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 26 Q 8.16 3.87 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 27 D 7.98 4.29 0.00 2.61 2.64 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 28 I 7.99 3.65 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 1.51 0.72 0.89 0.00 0.00 29 L 7.81 3.42 0.00 1.27 0.76 0.75 0.45 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 30 I 7.64 3.57 1.84 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 1.35 0.67 0.87 0.00 0.00 31 R 7.93 3.78 0.00 1.86 1.99 0.00 2.96 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 32 L 7.89 3.94 0.00 1.77 1.51 1.09 1.43 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 33 F 8.11 4.56 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.21 4.04 0.00 1.73 1.84 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.17 4.31 0.00 3.72 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 36 H 8.15 4.66 0.00 3.03 2.78 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.57 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.22 4.12 0.00 2.28 2.28 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 2.01 2.38 0.00 39 T 8.17 4.04 4.56 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 1.03 0.00 0.00 40 L 7.94 3.57 0.00 1.26 1.73 0.00 1.15 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 41 E 7.75 4.04 0.00 2.07 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 2.38 2.45 0.00 42 K 8.06 4.45 0.00 1.98 1.72 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.93 7.81 43 F 8.16 4.61 0.00 3.16 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 44 D 8.59 4.35 0.00 2.65 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 45 R 7.88 3.56 0.00 1.49 1.22 0.00 2.98 0.00 0.00 2.90 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 46 F 8.15 5.08 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.65 4.13 0.00 1.89 2.22 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.40 7.81 48 H 8.09 4.38 0.00 3.31 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.71 4.32 0.00 1.62 1.59 0.87 0.70 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 50 K 9.49 4.52 0.00 1.65 1.80 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 51 T 7.47 4.75 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 1.21 0.00 0.00 52 E 8.66 3.92 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 A 7.98 3.97 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 54 E 8.12 3.95 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 2.36 2.35 0.00 55 M 8.15 4.17 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 56 K 8.20 4.00 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 A 7.65 4.43 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 58 S 7.51 4.33 0.00 3.94 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 59 E 8.85 4.01 0.00 2.14 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 2.40 2.45 0.00 60 D 8.19 4.42 0.00 2.91 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 61 L 8.11 3.42 0.00 1.36 1.61 -0.22 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 3.86 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.36 4.00 0.00 2.13 1.93 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.65 7.81 64 H 8.72 4.42 0.00 3.61 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.39 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 66 V 7.75 3.61 2.28 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 7.98 3.88 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 1.27 0.00 0.00 68 V 7.91 3.58 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 1.10 0.00 0.00 1.00 0.00 0.00 69 L 8.21 4.26 0.00 1.81 1.91 0.88 0.79 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 70 T 8.37 3.96 4.45 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 1.26 0.00 0.00 71 A 8.02 4.00 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 72 L 8.19 3.79 0.00 1.59 1.56 0.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.49 3.23 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 74 A 7.75 4.00 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 75 I 7.50 3.82 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.98 0.00 0.00 76 L 7.92 3.97 0.00 1.32 1.56 -0.13 0.88 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 77 K 7.81 3.98 0.00 1.71 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.83 3.99 0.00 1.84 1.82 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.77 7.81 79 K 8.27 2.00 0.00 1.21 0.74 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.64 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.70 7.81 80 G 7.73 3.92 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 0.00 0.00 0.00 81 H 7.44 4.54 0.00 3.17 3.25 0.00 5.81 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 82 H 7.34 5.25 0.00 3.28 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.47 3.92 0.00 2.13 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 2.39 2.46 0.00 84 A 7.93 4.05 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 85 E 8.10 4.14 0.00 2.26 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 2.40 2.46 0.00 86 L 8.26 4.19 0.00 1.81 1.65 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.05 3.81 0.00 1.94 1.89 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.70 7.81 88 P 0.00 4.40 0.00 2.28 2.31 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.54 3.97 0.00 1.89 1.88 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.52 4.11 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 91 Q 8.24 3.79 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 92 S 8.30 4.01 0.00 3.86 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 93 H 8.69 4.17 0.00 3.47 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.06 2.91 -0.14 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 0.00 0.00 0.00 95 T 7.14 3.72 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 0.83 0.00 0.00 96 K 7.42 4.19 0.00 1.55 1.67 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.02 4.30 0.00 3.02 3.12 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.00 3.76 0.00 1.94 1.88 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.53 7.81 99 I 7.86 4.23 2.02 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 1.32 0.93 1.07 0.00 0.00 100 P 0.00 4.45 0.00 1.71 1.78 0.00 2.32 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 1.15 1.79 0.00 101 I 8.45 3.39 1.72 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 1.19 0.51 0.71 0.00 0.00 102 K 7.91 3.67 0.00 1.75 1.71 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 0.64 7.81 103 Y 8.04 4.08 0.00 3.06 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 0.00 104 L 7.90 4.20 0.00 1.83 1.81 0.63 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.90 3.97 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 2.44 2.43 0.00 106 F 7.80 4.48 0.00 3.25 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 0.00 107 I 8.17 3.90 2.03 0.00 0.00 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 1.58 1.67 1.10 0.00 0.00 108 S 8.30 4.17 0.00 4.18 3.97 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 0.00 109 E 8.59 4.08 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 110 A 8.18 4.02 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 0.00 111 I 8.08 3.68 2.10 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 1.61 0.73 1.06 0.00 0.00 112 I 7.93 3.85 2.14 0.00 0.00 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 1.70 1.08 1.18 0.00 0.00 113 H 8.48 4.15 0.00 3.34 3.48 0.00 5.59 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 0.00 114 V 7.98 3.55 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 0.96 0.00 0.00 0.95 0.00 0.00 115 L 7.95 3.74 0.00 0.76 0.52 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.96 4.42 0.00 3.59 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.93 4.16 0.00 3.94 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 0.00 118 R 7.83 4.07 0.00 1.45 1.48 0.00 2.69 0.00 0.00 2.66 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 119 H 8.09 5.03 0.00 3.18 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.20 2.22 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.12 3.73 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 0.00 0.00 0.00 122 D 8.08 5.02 0.00 2.76 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 0.00 123 F 8.02 4.98 0.00 3.01 3.04 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 0.00 124 G 7.85 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 0.00 125 A 8.40 3.93 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 0.00 126 D 7.97 4.19 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.77 3.98 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 0.00 128 Q 8.00 3.21 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 129 G 8.25 3.47 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 0.00 130 A 7.98 3.87 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 0.00 131 M 8.43 4.00 0.00 2.40 2.48 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 132 N 8.51 4.30 0.00 2.85 2.95 0.00 0.00 7.18 7.21 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 0.00 133 K 8.07 3.89 0.00 1.83 1.66 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 8.08 3.82 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 0.00 135 L 8.25 4.09 0.00 1.74 1.77 0.97 0.86 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 0.00 136 E 8.57 3.99 0.00 2.21 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 2.35 2.54 0.00 137 L 8.20 3.99 0.00 1.87 1.98 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.34 4.13 0.00 3.02 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 0.00 139 R 8.35 3.62 0.00 2.04 1.87 0.00 3.15 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 140 K 8.50 3.85 0.00 1.80 2.02 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.27 4.37 0.00 2.76 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 0.00 142 I 7.64 3.52 1.47 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.17 0.41 0.00 0.00 143 A 8.18 3.72 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 0.00 144 A 7.97 3.98 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 0.00 145 K 7.88 4.01 0.00 2.01 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.61 7.81 146 Y 8.58 4.08 0.00 3.07 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 0.00 147 K 8.59 3.98 0.00 1.91 1.99 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.98 3.92 0.00 2.04 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 2.36 2.40 0.00 149 L 7.69 4.42 0.00 1.96 1.95 0.80 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.17 3.82 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 0.00 0.00 0.00 151 Y 8.23 4.59 0.00 2.64 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 0.00 152 Q 8.29 4.13 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 153 G 8.15 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 0.00 0.00 0.00