NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 H 4.6875 8.4449 120.3843 54.5047 32.1791 173.4668 -4 H 4.4425 8.2334 118.8539 55.8953 30.8585 173.7966 -3 H 4.8567 8.7252 116.5329 54.0885 31.7796 173.0572 -2 H 4.7339 8.6072 120.1598 54.4684 30.1560 172.0259 -1 H 4.8525 8.3652 119.9623 54.6872 33.0375 172.4238 0 H 5.0334 8.3777 116.9204 54.1125 30.6920 174.9267 1 M 4.3046 8.6026 123.1337 55.4912 32.5328 175.7978 2 Q 4.6424 8.3040 120.4808 53.7935 31.9519 175.2837 3 L 4.2836 8.3441 123.0424 54.5990 42.4571 175.7239 4 R 4.6797 8.3939 128.0273 55.2488 31.6698 175.0885 5 F 5.5476 8.3446 119.0941 55.4696 41.4561 173.2842 6 A 4.5577 8.9156 120.7622 50.1116 22.5540 175.5967 7 R 4.6196 8.6163 119.9518 56.2724 30.5769 176.6860 8 L 4.6311 9.2044 123.0236 55.6364 43.2532 176.1880 9 S 4.6008 7.6797 112.3703 56.7974 65.7740 174.2697 10 E 4.1222 8.4764 117.1557 58.1872 29.7413 177.2471 11 H 4.3892 8.1351 116.7774 56.8226 29.3291 175.3434 12 A 4.3989 7.2374 121.5135 51.9345 18.9678 176.6952 13 T 4.4002 8.0132 115.9203 60.9623 70.9994 174.4969 14 A 3.6351 8.4968 128.8912 51.6484 18.8676 175.4461 15 P 5.0462 0.0000 0.0000 62.6423 32.0962 175.8379 16 T 4.9766 8.8785 112.1292 59.9135 72.6843 172.3316 17 R 4.3280 8.4291 122.4525 54.4461 31.7715 175.1481 18 G 3.7295 9.1498 116.5006 48.0865 0.0000 173.1246 19 S 4.7201 7.4509 112.6640 54.9379 66.0752 174.6044 20 A 4.0663 8.4987 122.7789 54.2815 18.1168 178.3284 21 R 4.5662 7.6215 110.5088 55.4356 29.5011 175.2799 22 A 4.0108 7.6926 122.0716 52.4971 18.8554 179.6518 23 A 4.0991 8.7084 125.4692 54.3158 18.7680 177.7694 24 G 4.2991 7.1358 97.5958 44.5636 0.0000 172.1918 25 Y 4.6439 8.7603 118.9423 56.4780 39.7044 175.1882 26 D 4.7477 9.6148 125.0627 54.5058 42.2334 175.2854 27 L 4.8735 8.5798 122.6914 53.1644 44.5930 175.0505 28 Y 5.2166 8.4330 119.2684 55.9827 41.2799 175.4714 29 S 4.5067 9.0809 118.0136 58.6405 63.3579 174.3340 30 A 4.5908 8.8675 127.0702 52.0707 19.4788 176.0664 31 Y 4.7312 7.8488 111.1204 56.0490 42.5995 174.5115 32 D 4.9361 8.4621 120.1484 54.2732 42.1573 176.0491 33 Y 4.8205 9.2057 119.6152 56.6620 42.7354 174.2197 34 T 4.8759 8.7712 119.8038 62.0406 70.8533 173.7134 35 I 4.4228 8.6951 128.8965 58.8943 38.9172 174.1738 36 P 4.8021 0.0000 0.0000 61.3189 32.3893 174.6085 37 P 4.2864 0.0000 0.0000 63.7726 31.8371 176.6142 38 M 3.1341 8.3219 122.2543 56.7080 30.1322 175.8119 39 E 4.9262 7.6292 115.3397 54.4903 34.9018 175.3373 40 K 5.3375 8.5177 118.5660 55.4807 36.1160 175.2555 41 A 4.6519 8.5916 121.2164 50.5403 23.1096 175.5298 42 V 4.2791 8.2877 121.1806 61.7009 32.6217 175.3538 43 V 3.5451 8.6958 129.8085 61.2020 32.9429 175.0078 44 K 4.7718 9.1304 128.7487 56.6038 32.7431 178.0226 45 T 4.3311 8.6594 114.0846 61.0853 70.3721 174.6931 46 D 4.6434 8.5264 121.5429 55.3896 39.2852 172.7002 47 I 5.2496 7.6902 110.6217 59.1180 41.2017 173.8894 48 Q 5.3880 9.1477 122.3479 53.7564 31.0890 174.3995 49 I 5.2030 8.4105 113.7476 59.1623 41.0206 174.8688 50 A 4.6524 8.9667 125.4012 49.9193 20.7300 175.6639 51 L 4.1902 8.5039 120.8929 54.7855 42.5380 176.0972 52 P 4.4221 0.0000 0.0000 62.1211 32.0445 176.4739 53 S 4.2883 8.4167 115.6394 60.1531 62.3990 174.3082 54 G 4.1400 10.6169 114.9166 45.7164 0.0000 172.1481 55 C 5.0263 7.9127 112.6032 56.8933 33.2223 171.7296 56 Y 4.9601 8.7666 116.8118 55.1664 41.8194 174.5909 57 G 3.9800 8.9690 107.3531 44.7472 0.0000 172.7589 58 R 4.9621 8.4180 128.3789 54.8081 31.5997 175.5003 59 V 4.2679 8.7519 127.9097 62.7828 31.9622 174.9901 60 A 4.9908 9.0924 130.1796 49.0490 22.3528 173.5574 61 P 4.6118 0.0000 0.0000 62.5367 32.2176 176.6339 62 R 4.1280 8.4068 120.5214 56.2491 31.2082 178.0798 63 S 4.2102 8.8171 118.5728 61.7440 62.9506 177.1623 64 G 3.6621 8.0450 107.8692 47.9315 0.0000 175.3826 65 L 4.0166 7.9524 120.8205 57.3231 41.6423 179.4055 66 A 4.3013 7.9751 121.3677 54.8017 18.1935 179.6583 67 A 3.8818 7.7919 117.8806 54.8001 18.5203 179.3032 68 K 4.1827 8.0838 115.7123 57.7569 32.7962 177.3371 69 H 4.8899 7.6691 112.2131 54.4237 30.3510 173.1183 70 F 4.0881 7.9835 120.7384 59.3510 38.1702 173.8732 71 I 4.6860 7.6326 118.9395 59.9589 38.8922 174.7559 72 D 5.0629 8.9922 125.1962 52.4590 45.5089 173.9785 73 V 4.3896 8.2944 121.5145 61.0411 33.2188 175.6096 74 G 3.5479 8.0013 115.9389 43.9349 0.0000 176.1750 75 A 3.5715 9.9815 124.8904 52.0019 17.9525 178.9287 76 G 3.8799 9.2039 110.8832 47.0641 0.0000 172.5538 77 V 4.4799 7.4696 119.7411 61.7611 32.1965 175.2586 78 I 4.2902 8.6726 130.8597 59.5834 38.5711 175.5464 79 D 4.8118 8.6174 127.5789 53.9785 41.4845 177.4069 80 E 4.0217 9.3026 122.7735 59.0576 29.6887 177.3744 81 D 4.8034 8.0185 115.2698 52.9029 39.8102 175.1738 82 Y 4.3959 7.9858 121.9993 57.9874 39.0562 175.2836 83 R 4.3370 8.0959 124.3023 55.7288 31.0957 175.8794 84 G 3.5499 5.3800 108.6722 43.7816 0.0000 172.0415 85 N 4.8272 8.4880 118.4158 53.5182 39.7043 175.1507 86 V 3.9903 9.0056 127.5050 62.9909 32.4954 174.8200 87 G 4.3993 8.7775 115.3437 44.5318 0.0000 172.3151 88 V 4.3341 8.6741 123.5098 60.7629 34.1165 174.6792 89 V 4.3533 8.2269 128.4078 61.9868 32.5521 174.1102 90 L 4.8387 8.5143 129.0291 53.1295 43.9988 175.6674 91 F 5.1742 8.8872 122.6453 55.7937 41.5572 174.2944 92 N 4.8446 8.8675 123.6188 52.2160 39.4034 174.6382 93 F 4.4404 8.3683 124.3868 57.5230 39.5809 176.4922 94 G 4.0310 8.1160 107.1129 45.9609 0.0000 174.1114 95 K 4.5233 8.7424 117.2797 56.3755 32.6790 176.5509 96 E 5.0134 7.7161 118.0949 53.6907 32.6240 176.0177 97 K 4.3749 8.7442 121.3203 57.2529 33.7289 175.7025 98 F 4.8903 9.3266 125.0093 56.5818 41.8996 173.6042 99 E 4.7452 8.0574 125.7003 54.9586 30.9197 175.3779 100 V 4.2834 9.0511 125.2605 61.0764 33.8890 174.5809 101 K 5.0366 8.9632 126.7998 53.8756 35.3770 175.7342 102 K 3.9828 8.8990 124.3888 58.6888 32.2766 177.1655 103 G 4.0671 9.1867 115.5038 45.0515 0.0000 173.3235 104 D 4.6494 8.1910 120.5939 54.3025 42.1549 175.8587 105 R 4.3896 8.6212 122.3155 55.8767 30.2602 176.1990 106 I 4.5309 8.1146 116.4925 60.5210 39.4609 174.5721 107 A 4.4984 7.1798 123.3963 51.7722 22.7052 174.5171 108 Q 4.9072 8.6807 115.1073 54.6143 32.6109 173.9729 109 L 5.1000 9.0640 123.2315 53.5631 44.3919 174.9052 110 I 4.6078 8.5591 127.3069 59.8339 39.9778 175.0179 111 C 4.6171 8.6526 124.8338 58.8396 27.7553 171.7601 112 E 4.1671 8.2888 123.6320 55.3751 30.4520 176.1775 113 R 4.6727 8.5079 124.6262 56.0679 30.7783 175.9156 114 I 4.5539 7.8865 115.5378 59.1753 41.0657 174.7627 115 F 4.9482 8.3829 120.9428 56.8500 40.8013 175.9062 116 Y 4.8108 8.2820 119.2038 56.0072 37.6676 174.0515 117 P 4.4852 0.0000 0.0000 62.1009 32.8979 176.8407 118 E 4.1470 8.4740 120.7202 55.9879 30.3539 175.6240 119 I 4.3327 8.0863 124.7420 59.3214 39.4704 174.4176 120 E 4.5682 8.4230 127.1041 54.1112 32.0724 174.3782 121 E 4.2159 8.7988 127.3085 55.8123 30.4626 175.7712 122 V 4.5720 7.9042 117.9721 59.1132 35.4756 175.5456 123 Q 4.0458 8.7427 122.1135 59.0822 29.0970 176.2252 124 A 4.4890 7.4339 116.0943 51.3951 21.7297 175.1859 125 L 4.5880 8.1994 120.1051 53.1899 43.8203 175.8763 126 D 4.7318 8.1544 119.2719 53.1328 42.3163 175.9184 127 D 4.5279 8.4498 124.4139 54.4636 41.4704 175.6211 128 T 4.7109 7.9157 111.5048 59.4656 71.7155 173.8548 129 E 4.0874 8.6407 120.0617 59.4807 29.4530 178.9055 130 R 3.9624 8.1906 118.8917 58.7936 31.2769 176.3615 131 G 4.0551 7.5246 106.1403 47.0956 0.0000 174.4390 132 S 4.4973 8.7271 120.0308 57.6745 63.3005 174.3569 133 G 3.6391 7.6628 110.6251 45.9497 0.0000 173.4309 134 G 3.9560 8.1526 113.1503 44.3181 0.0000 171.0157 135 F 3.6704 8.9497 114.8135 58.4307 36.1722 176.1697 136 G 4.1294 8.0872 112.4843 46.0260 0.0000 173.2118 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 -5 H 8.44 4.69 0.00 3.15 3.20 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.23 4.44 0.00 3.13 2.94 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.73 4.86 0.00 3.13 3.26 0.00 5.64 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 -2 H 8.61 4.73 0.00 3.03 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.37 4.85 0.00 3.05 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.38 5.03 0.00 3.14 3.23 0.00 5.90 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 1 M 8.60 4.30 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 2 Q 8.30 4.64 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 3 L 8.34 4.28 0.00 1.59 1.47 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.39 4.68 0.00 1.93 1.77 0.00 3.07 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 5 F 8.34 5.55 0.00 3.14 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.92 4.56 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 7 R 8.62 4.62 0.00 1.74 2.09 0.00 3.22 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 8 L 9.20 4.63 0.00 1.65 1.76 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.68 4.60 0.00 3.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.48 4.12 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.12 0.00 11 H 8.14 4.39 0.00 2.94 3.18 0.00 5.61 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 12 A 7.24 4.40 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 13 T 8.01 4.40 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 0.39 0.00 0.00 14 A 8.50 3.64 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.05 0.00 1.67 2.07 0.00 2.44 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 1.51 1.70 0.00 16 T 8.88 4.98 4.35 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 0.00 0.00 0.00 1.39 0.00 0.00 17 R 8.43 4.33 0.00 0.77 1.52 0.00 3.14 0.00 0.00 2.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 18 G 9.15 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 19 S 7.45 4.72 0.00 3.93 3.93 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 20 A 8.50 4.07 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 21 R 7.62 4.57 0.00 1.84 1.92 0.00 3.17 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 22 A 7.69 4.01 1.21 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 0.00 0.00 23 A 8.71 4.10 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 24 G 7.14 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 0.00 0.00 0.00 0.00 25 Y 8.76 4.64 0.00 2.96 2.84 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 26 D 9.61 4.75 0.00 2.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.58 4.87 0.00 1.51 1.52 0.91 0.54 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 28 Y 8.43 5.22 0.00 2.78 2.83 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 29 S 9.08 4.51 0.00 4.06 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 30 A 8.87 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.85 4.73 0.00 2.53 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 32 D 8.46 4.94 0.00 2.46 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 33 Y 9.21 4.82 0.00 2.90 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 34 T 8.77 4.88 4.27 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 1.24 0.00 0.00 35 I 8.70 4.42 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.93 0.00 0.00 36 P 0.00 4.80 0.00 1.94 2.01 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 37 P 0.00 4.29 0.00 1.93 2.13 0.00 3.84 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 2.04 2.23 0.00 38 M 8.32 3.13 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 39 E 7.63 4.93 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 2.25 2.21 0.00 40 K 8.52 5.34 0.00 1.87 1.93 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.41 7.81 41 A 8.59 4.65 1.12 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 0.00 0.00 42 V 8.29 4.28 2.06 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 0.77 0.00 0.00 0.92 0.00 0.00 43 V 8.70 3.55 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 0.99 0.00 0.00 0.43 0.00 0.00 44 K 9.13 4.77 0.00 2.19 2.01 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.50 7.81 45 T 8.66 4.33 4.31 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 1.34 0.00 0.00 46 D 8.53 4.64 0.00 3.06 2.85 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 0.00 0.00 0.00 47 I 7.69 5.25 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.01 0.97 0.00 0.00 48 Q 9.15 5.39 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.12 0.00 49 I 8.41 5.20 1.93 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 1.39 0.83 0.98 0.00 0.00 50 A 8.97 4.65 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 51 L 8.50 4.19 0.00 1.62 1.68 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.42 0.00 2.08 2.02 0.00 3.72 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 2.06 2.28 0.00 53 S 8.42 4.29 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 10.62 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 0.00 0.00 0.00 0.00 55 C 7.91 5.03 0.00 2.99 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 56 Y 8.77 4.96 0.00 3.23 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 57 G 8.97 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 58 R 8.42 4.96 0.00 1.58 1.64 0.00 3.16 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 59 V 8.75 4.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 60 A 9.09 4.99 1.16 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 0.00 0.00 61 P 0.00 4.61 0.00 2.07 2.04 0.00 3.75 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 1.97 2.00 0.00 62 R 8.41 4.13 0.00 1.84 1.86 0.00 3.20 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 63 S 8.82 4.21 0.00 3.84 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 64 G 8.04 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.95 4.02 0.00 1.67 1.63 0.96 1.25 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 66 A 7.98 4.30 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 67 A 7.79 3.88 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 68 K 8.08 4.18 0.00 1.64 1.59 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 69 H 7.67 4.89 0.00 3.18 3.20 0.00 5.79 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 70 F 7.98 4.09 0.00 3.24 3.08 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 71 I 7.63 4.69 1.76 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.06 0.69 0.00 0.00 72 D 8.99 5.06 0.00 3.14 2.87 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 73 V 8.29 4.39 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 0.72 0.00 0.00 0.83 0.00 0.00 74 G 8.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.98 3.57 0.95 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 0.00 0.00 76 G 9.20 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 77 V 7.47 4.48 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 0.64 0.00 0.00 0.88 0.00 0.00 78 I 8.67 4.29 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 1.05 0.00 0.00 79 D 8.62 4.81 0.00 2.78 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 80 E 9.30 4.02 0.00 2.24 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 2.37 2.54 0.00 81 D 8.02 4.80 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.99 4.40 0.00 2.93 3.08 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 83 R 8.10 4.34 0.00 1.65 1.75 0.00 3.37 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 84 G 5.38 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 4.83 0.00 2.82 2.87 0.00 0.00 6.82 7.71 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 86 V 9.01 3.99 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 0.91 0.00 0.00 1.14 0.00 0.00 87 G 8.78 4.40 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 0.00 88 V 8.67 4.33 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 0.83 0.00 0.00 0.91 0.00 0.00 89 V 8.23 4.35 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 0.87 0.00 0.00 0.86 0.00 0.00 90 L 8.51 4.84 0.00 1.54 1.46 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.89 5.17 0.00 2.48 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.87 4.84 0.00 2.76 2.63 0.00 0.00 6.79 7.29 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 93 F 8.37 4.44 0.00 1.83 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 0.00 0.00 0.00 94 G 8.12 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 95 K 8.74 4.52 0.00 1.81 1.89 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.50 7.81 96 E 7.72 5.01 0.00 1.90 1.88 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 2.26 2.28 0.00 97 K 8.74 4.37 0.00 1.80 1.85 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 98 F 9.33 4.89 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.06 4.75 0.00 1.63 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 2.14 2.13 0.00 100 V 9.05 4.28 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 1.07 0.00 0.00 1.07 0.00 0.00 101 K 8.96 5.04 0.00 1.69 1.65 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.45 7.81 102 K 8.90 3.98 0.00 1.61 1.71 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.33 7.81 103 G 9.19 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 0.00 104 D 8.19 4.65 0.00 2.78 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 0.00 105 R 8.62 4.39 0.00 1.54 1.41 0.00 3.09 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 106 I 8.11 4.53 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 1.02 0.00 0.00 107 A 7.18 4.50 1.16 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 0.00 0.00 108 Q 8.68 4.91 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 109 L 9.06 5.10 0.00 1.73 1.60 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.56 4.61 1.76 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 1.18 0.60 0.86 0.00 0.00 111 C 8.65 4.62 0.00 2.85 2.89 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 0.00 112 E 8.29 4.17 0.00 1.31 1.73 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 2.09 1.75 0.00 113 R 8.51 4.67 0.00 1.59 1.74 0.00 3.13 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 114 I 7.89 4.55 1.64 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.19 1.07 0.00 0.00 115 F 8.38 4.95 0.00 3.05 2.87 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 0.00 116 Y 8.28 4.81 0.00 3.01 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 0.00 117 P 0.00 4.49 0.00 2.17 2.01 0.00 3.82 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 2.01 1.98 0.00 118 E 8.47 4.15 0.00 1.94 1.88 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 2.29 2.36 0.00 119 I 8.09 4.33 1.88 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 1.30 1.00 0.92 0.00 0.00 120 E 8.42 4.57 0.00 1.90 1.76 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 2.17 2.25 0.00 121 E 8.80 4.22 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 122 V 7.90 4.57 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 0.77 0.00 0.00 0.99 0.00 0.00 123 Q 8.74 4.05 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 124 A 7.43 4.49 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 0.00 125 L 8.20 4.59 0.00 1.64 1.60 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.15 4.73 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.53 0.00 2.71 2.58 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 0.00 128 T 7.92 4.71 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 1.21 0.00 0.00 129 E 8.64 4.09 0.00 1.98 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 2.31 2.24 0.00 130 R 8.19 3.96 0.00 1.83 1.91 0.00 3.25 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 131 G 7.52 4.06 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 0.00 0.00 0.00 132 S 8.73 4.50 0.00 4.01 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 0.00 133 G 7.66 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 0.00 134 G 8.15 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 0.00 135 F 8.95 3.67 0.00 3.20 3.08 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 0.00 136 G 8.09 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