NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2979 8.3144 120.1357 55.8225 34.3163 174.9922 2 K 4.1695 7.5102 116.9266 55.2900 34.6837 172.2521 3 Q 4.6469 8.5371 122.5431 54.2310 31.8429 177.1736 4 C 4.6488 8.4253 121.9316 56.4535 40.6832 174.5760 5 G 3.9741 7.6043 123.9037 44.7371 0.0000 173.2360 6 V 3.4213 8.2952 119.2789 65.9362 31.6676 178.0842 7 L 3.9148 7.7483 118.2141 57.7877 41.7075 179.1017 8 E 3.9744 8.3795 117.1897 59.5891 28.9540 179.3673 9 G 3.5142 7.4458 107.1265 47.6488 0.0000 175.4474 10 L 3.8720 7.8115 122.2487 57.2570 41.6469 179.8499 11 K 3.8722 8.3259 119.4321 59.5167 32.2516 178.9377 12 V 3.0516 7.4352 118.3060 65.7922 31.1127 177.6525 13 K 3.8343 8.2736 118.3595 59.6157 32.1892 178.4188 14 S 4.2888 8.0338 113.1444 61.5743 62.3615 175.8485 15 E 4.1825 8.7142 121.7339 59.3621 29.2783 179.2432 16 W 4.8119 9.2330 128.8899 60.4972 30.6363 177.9831 17 G 3.8150 8.2191 105.7096 48.1297 0.0000 175.8598 18 R 3.8674 7.7938 118.4678 58.8477 30.3432 178.5412 19 A 3.8153 7.8233 119.4291 54.9663 18.3880 178.7189 20 Y 2.9896 7.2539 117.3137 62.0138 39.2953 177.7874 21 G 3.5470 7.7702 108.5843 45.7494 0.0000 171.4084 22 S 4.2404 8.2073 114.5406 57.8623 67.0105 176.5964 23 G 3.7354 8.0411 111.1139 47.6379 0.0000 175.6379 24 H 4.2690 8.9193 121.5174 58.5311 28.4546 175.9600 25 D 4.4101 8.2319 120.2748 57.7442 40.4779 179.1225 26 R 3.9929 7.8268 118.2203 59.5050 29.9128 177.8145 27 E 4.0189 8.0678 118.7281 58.9828 29.3177 178.6633 28 A 4.2371 8.2577 120.3988 54.4852 19.4896 178.7673 29 F 4.2466 8.7575 120.1491 61.6386 39.3181 177.7377 30 S 4.0145 8.6147 113.6559 61.7054 62.8014 175.8748 31 Q 4.0596 7.6814 120.9421 58.6527 28.5076 179.0972 32 A 3.9379 8.7647 122.1916 55.4637 18.3317 179.4354 33 I 3.2137 7.3311 117.7835 64.4102 37.1380 178.6423 34 W 3.5742 8.0792 119.5788 59.7052 28.8985 178.7292 35 R 4.0475 8.3148 117.8644 59.3639 29.2738 179.0130 36 A 3.9707 7.8388 119.5838 55.2901 18.7233 179.6097 37 T 3.8258 7.7709 114.4626 66.9045 68.6477 176.9195 38 F 4.6510 8.5957 119.7594 60.8056 38.7139 177.7227 39 A 4.1880 8.0413 119.7083 54.9831 18.1627 179.5975 40 Q 4.2183 7.9175 115.9785 58.0213 30.4344 177.6245 41 V 4.4772 7.3700 114.0493 57.5917 32.0420 174.0752 42 P 4.3241 0.0000 0.0000 64.9423 30.9649 178.1118 43 E 3.9942 8.3441 118.3253 59.5995 29.4394 179.1702 44 S 4.1499 8.0730 113.5502 60.8189 62.9690 176.4577 45 R 3.3034 7.7118 122.6146 59.1339 29.4228 178.7318 46 S 4.1382 7.5885 113.2907 61.4049 62.8145 176.3691 47 L 4.0399 7.9226 121.8639 56.4945 41.5733 177.9120 48 F 4.7569 7.8918 117.0252 57.1707 40.1071 178.1006 49 K 3.9577 8.0245 122.2915 59.2163 32.4101 177.9151 50 R 3.9996 8.0151 118.5035 58.1508 30.6772 176.7655 51 V 4.3921 7.3342 116.0157 63.5197 31.4471 176.3263 52 H 4.2469 7.2918 114.8048 56.9168 26.1285 176.4286 53 G 3.0395 8.1494 108.1726 46.9473 0.0000 173.2821 54 D 4.1466 7.9763 120.0702 55.3390 39.6682 174.8432 55 D 4.7958 7.3750 120.4918 51.7321 41.4263 175.7070 56 T 3.5944 8.4093 121.6595 64.6252 67.3740 174.6357 57 S 4.6597 8.1376 114.5951 58.7701 63.5306 173.9607 58 H 4.4072 8.5578 122.7761 54.8346 31.1671 173.5143 59 P 4.2150 0.0000 0.0000 66.3352 30.7752 177.9941 60 A 4.0191 8.5040 120.1868 55.0508 18.1308 179.3168 61 F 4.1595 8.3004 118.3115 61.2999 39.4900 177.0245 62 I 3.5736 8.2489 119.8073 64.5406 36.9410 177.8414 63 A 3.9514 8.6188 121.5890 55.3354 18.1384 178.7110 64 H 3.8496 8.3815 115.7654 59.7809 29.9206 176.5631 65 A 3.7920 8.0283 122.4032 55.5116 18.0300 178.8519 66 D 4.4734 8.4567 115.7629 57.6395 40.9752 178.9903 67 R 3.9981 8.1909 118.8668 58.9267 30.3823 178.4404 68 V 3.7749 8.0405 118.4984 66.1313 31.7084 177.7519 69 L 4.2307 8.2942 118.8964 57.9500 41.4934 179.5725 70 G 4.1288 8.0291 105.7570 48.0898 0.0000 175.7153 71 G 3.6001 8.0674 108.4277 47.3902 0.0000 175.1492 72 L 3.8199 8.0673 123.0316 58.1503 41.6881 178.0193 73 D 3.9609 8.5784 118.0520 56.9086 40.9537 177.9069 74 I 4.0266 7.9860 121.6133 64.5295 37.5691 177.4315 75 A 3.8550 8.3634 121.2891 55.0448 17.9107 179.2937 76 I 3.4004 7.9345 116.4253 64.1824 37.7020 178.6488 77 S 4.4439 8.5650 113.3688 59.9893 62.5575 174.9905 78 T 4.7885 7.8333 112.0023 61.7084 69.3521 175.4310 79 L 4.1476 8.2774 122.1233 57.0728 41.5525 177.3867 80 D 4.8935 7.8715 117.1629 53.0220 40.2849 177.2521 81 Q 4.5638 8.0248 118.2051 53.1966 29.9663 173.5250 82 P 4.1557 0.0000 0.0000 66.1742 31.4129 177.7159 83 A 3.9601 8.0418 118.7274 55.5261 18.4824 179.3739 84 T 3.9190 7.7556 112.5106 66.5655 68.7670 176.2659 85 L 3.8333 7.8648 122.2555 58.4611 41.9122 178.7877 86 K 3.8470 8.2014 119.5093 59.6881 32.1028 177.5820 87 E 3.8792 8.1137 119.0810 59.3122 29.5049 178.0897 88 E 3.9141 8.1953 118.5627 59.4472 29.5951 178.4815 89 L 3.9326 8.2151 119.0312 58.1114 41.8788 179.1756 90 D 4.3388 8.3113 118.8192 57.7034 40.5520 178.3779 91 H 4.1687 8.5412 117.5395 59.3709 30.2643 176.8339 92 L 4.1303 8.2955 120.7896 58.1614 41.4501 179.2380 93 Q 4.2469 8.6018 121.1686 59.0692 28.8215 179.5306 94 V 3.5830 7.7466 118.4386 66.2485 31.5304 177.9418 95 Q 4.1460 7.8658 115.3637 58.3360 28.7738 177.5796 96 H 4.6866 7.8988 117.0146 55.9432 30.4541 174.7708 97 E 4.2353 7.8824 118.0531 57.9165 29.8600 175.6330 98 G 4.2273 9.0446 111.0196 46.3794 0.0000 174.6165 99 R 4.1968 7.6617 118.8463 55.1388 31.1203 178.2728 100 K 4.2737 8.4370 123.8089 56.3540 29.7335 177.0325 101 I 4.1917 7.3425 119.3255 58.9402 37.8347 174.6777 102 P 4.4254 0.0000 0.0000 62.2404 31.9338 177.3280 103 D 4.6511 8.7057 120.0993 56.6847 40.5045 178.5886 104 N 4.3730 8.0680 117.9939 56.9142 38.9998 176.0755 105 Y 4.4767 8.0103 117.9798 61.4448 38.0403 178.2348 106 F 4.0050 8.6793 118.1860 60.8809 38.9934 177.1225 107 D 4.4461 8.2945 116.8303 57.4495 41.0181 178.2115 108 A 4.0244 7.9072 121.1717 55.3354 18.4343 179.2792 109 F 4.0995 8.5146 120.7100 60.5110 39.3030 177.2871 110 K 3.9520 8.4555 119.2722 59.8172 32.0976 178.5871 111 T 3.8629 7.9866 115.8046 67.1620 68.3588 175.5846 112 A 3.7354 8.4529 122.1936 55.4063 18.2183 179.2816 113 I 3.2536 7.4057 116.6494 64.5097 37.2872 178.2297 114 L 3.8518 8.2699 119.4974 58.4096 41.5948 179.4501 115 H 3.8692 8.4702 116.0790 58.7476 28.5494 178.0659 116 V 3.3821 7.7809 120.0239 65.9492 31.3241 177.8678 117 V 3.5327 7.9704 118.1105 66.2223 30.6654 177.7844 118 A 2.8329 7.5233 119.9935 54.7216 17.8376 179.4825 119 A 3.8438 7.4280 118.2478 55.3263 18.4809 179.6030 120 Q 4.0487 7.9893 116.1330 58.6366 28.9798 177.9711 121 L 4.2560 8.0226 117.9655 53.8924 42.1027 177.9798 122 G 3.8411 8.0239 108.4595 45.0952 0.0000 174.5709 123 R 4.3574 8.6224 114.8442 57.0704 32.0884 177.0364 124 C 4.4128 7.8533 117.0876 58.5632 26.8588 171.3646 125 Y 5.0651 7.9036 120.3234 57.6051 41.1721 172.9941 126 D 4.4878 8.5000 127.8486 52.9840 41.7299 176.4917 127 R 3.5313 8.2595 127.1696 59.1559 30.2801 177.6895 128 E 3.9111 8.1543 117.5861 59.6282 29.5633 179.1043 129 A 3.9414 8.8936 120.5352 55.2193 18.3520 179.5959 130 W 3.8754 7.9719 116.8794 59.9415 29.2432 177.8358 131 D 4.5068 8.5217 118.0034 57.6893 40.5511 178.3529 132 A 4.0173 8.4943 121.0498 55.6569 18.3411 179.0853 133 C 4.2253 8.2815 114.7060 60.2015 39.2874 176.2718 134 I 3.6219 8.4897 121.8547 64.5903 36.6487 177.6264 135 D 4.3328 8.3365 118.8602 57.5749 41.2179 177.4390 136 H 4.2933 8.5230 118.5262 59.7836 29.5475 177.3410 137 I 3.6113 7.9166 120.8443 64.2665 37.2358 177.9456 138 E 4.1207 8.4599 119.8480 59.3996 29.2997 178.8978 139 D 4.3580 8.6432 119.4270 57.4791 40.7762 179.2094 140 G 3.7997 7.6835 103.3964 46.8538 0.0000 174.5771 141 I 4.1977 7.9418 121.6154 62.1805 37.8786 177.9646 142 K 3.8855 7.4404 118.2451 59.6156 32.5056 177.4655 143 G 4.0531 8.1151 105.8377 46.1723 0.0000 174.8076 144 H 4.6989 7.5703 119.9972 56.0133 29.5423 174.9713 145 H 4.4557 8.7763 119.9820 57.0444 29.2057 173.4143 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 K 8.31 4.30 0.00 1.85 1.99 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 2 K 7.51 4.17 0.00 1.73 1.61 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.51 7.81 3 Q 8.54 4.65 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.27 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 4 C 8.43 4.65 0.00 3.00 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 5 G 7.60 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 0.00 0.00 0.00 6 V 8.30 3.42 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 1.04 0.00 0.00 0.91 0.00 0.00 7 L 7.75 3.91 0.00 1.71 1.68 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.38 3.97 0.00 2.09 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 0.00 2.36 2.60 0.00 9 G 7.45 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.87 0.00 1.94 1.75 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.33 3.87 0.00 1.79 1.90 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 12 V 7.44 3.05 1.75 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 -0.43 0.00 0.00 0.59 0.00 0.00 13 K 8.27 3.83 0.00 1.73 1.97 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.46 7.81 14 S 8.03 4.29 0.00 4.08 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 15 E 8.71 4.18 0.00 2.55 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 16 W 9.23 4.81 0.00 3.33 3.32 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 17 G 8.22 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 18 R 7.79 3.87 0.00 1.97 1.97 0.00 3.25 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 19 A 7.82 3.82 1.15 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 0.00 0.00 20 Y 7.25 2.99 0.00 1.43 2.30 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 21 G 7.77 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 22 S 8.21 4.24 0.00 3.79 3.62 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 23 G 8.04 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 24 H 8.92 4.27 0.00 3.18 3.33 0.00 5.66 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 25 D 8.23 4.41 0.00 2.85 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 26 R 7.83 3.99 0.00 1.67 2.05 0.00 3.19 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 27 E 8.07 4.02 0.00 2.07 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 2.37 2.40 0.00 28 A 8.26 4.24 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 29 F 8.76 4.25 0.00 3.16 3.34 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 30 S 8.61 4.01 0.00 4.24 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 0.00 31 Q 7.68 4.06 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 32 A 8.76 3.94 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 33 I 7.33 3.21 1.53 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.02 -0.07 0.00 0.00 34 W 8.08 3.57 0.00 3.48 3.14 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 35 R 8.31 4.05 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 36 A 7.84 3.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.77 3.83 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 1.22 0.00 0.00 38 F 8.60 4.65 0.00 3.04 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 39 A 8.04 4.19 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 40 Q 7.92 4.22 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 41 V 7.37 4.48 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 0.95 0.00 0.00 0.90 0.00 0.00 42 P 0.00 4.32 0.00 2.23 2.32 0.00 3.99 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 43 E 8.34 3.99 0.00 2.19 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 2.48 2.46 0.00 44 S 8.07 4.15 0.00 3.96 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 0.00 0.00 0.00 0.00 45 R 7.71 3.30 0.00 1.73 1.68 0.00 2.83 0.00 0.00 2.88 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.78 0.00 46 S 7.59 4.14 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.92 4.04 0.00 1.33 1.14 1.10 0.75 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 48 F 7.89 4.76 0.00 3.09 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 49 K 8.02 3.96 0.00 1.82 1.79 0.00 1.58 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 50 R 8.02 4.00 0.00 1.77 1.92 0.00 3.23 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 51 V 7.33 4.39 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 0.87 0.00 0.00 1.04 0.00 0.00 52 H 7.29 4.25 0.00 3.23 3.26 0.00 6.08 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 53 G 8.15 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 0.00 0.00 0.00 54 D 7.98 4.15 0.00 2.75 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 55 D 7.37 4.80 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.41 3.59 4.39 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 1.27 0.00 0.00 57 S 8.14 4.66 0.00 4.08 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 58 H 8.56 4.41 0.00 3.40 3.29 0.00 5.62 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 59 P 0.00 4.21 0.00 2.30 2.31 0.00 3.29 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 60 A 8.50 4.02 1.35 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 0.00 0.00 0.00 61 F 8.30 4.16 0.00 3.38 3.24 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 62 I 8.25 3.57 2.09 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 1.72 0.76 0.93 0.00 0.00 63 A 8.62 3.95 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 64 H 8.38 3.85 0.00 3.21 3.17 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 65 A 8.03 3.79 1.09 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 0.00 0.00 66 D 8.46 4.47 0.00 2.96 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 67 R 8.19 4.00 0.00 2.04 2.08 0.00 3.35 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 68 V 8.04 3.77 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 1.18 0.00 0.00 0.91 0.00 0.00 69 L 8.29 4.23 0.00 1.99 1.94 1.27 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.03 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 71 G 8.07 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.07 3.82 0.00 1.74 1.76 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.58 3.96 0.00 2.97 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 74 I 7.99 4.03 1.97 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 1.44 2.03 0.91 0.00 0.00 75 A 8.36 3.85 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.93 3.40 1.17 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.25 0.54 0.00 0.00 77 S 8.57 4.44 0.00 4.04 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 78 T 7.83 4.79 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 1.22 0.00 0.00 79 L 8.28 4.15 0.00 1.57 1.70 0.73 1.19 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 80 D 7.87 4.89 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.02 4.56 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 82 P 0.00 4.16 0.00 2.25 2.33 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 83 A 8.04 3.96 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 84 T 7.76 3.92 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 85 L 7.86 3.83 0.00 1.93 1.80 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.20 3.85 0.00 1.94 2.15 0.00 1.57 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.53 7.81 87 E 8.11 3.88 0.00 2.21 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 2.31 2.37 0.00 88 E 8.20 3.91 0.00 2.12 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 0.00 2.36 2.46 0.00 89 L 8.22 3.93 0.00 1.81 1.82 0.78 0.99 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 90 D 8.31 4.34 0.00 3.00 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 91 H 8.54 4.17 0.00 3.15 3.54 0.00 5.78 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 92 L 8.30 4.13 0.00 1.90 1.72 0.90 0.84 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 93 Q 8.60 4.25 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 94 V 7.75 3.58 2.31 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 1.00 0.00 0.00 1.00 0.00 0.00 95 Q 7.87 4.15 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 96 H 7.90 4.69 0.00 3.37 3.46 0.00 5.83 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 97 E 7.88 4.24 0.00 2.06 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 0.00 2.53 2.29 0.00 98 G 9.04 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 99 R 7.66 4.20 0.00 1.93 1.86 0.00 3.13 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 100 K 8.44 4.27 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 101 I 7.34 4.19 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 1.00 0.00 0.00 102 P 0.00 4.43 0.00 2.03 1.97 0.00 3.13 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 1.09 1.11 0.00 103 D 8.71 4.65 0.00 2.75 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 0.00 104 N 8.07 4.37 0.00 2.86 2.75 0.00 0.00 7.22 7.56 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 0.00 105 Y 8.01 4.48 0.00 3.05 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 0.00 106 F 8.68 4.00 0.00 3.22 3.52 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 0.00 107 D 8.29 4.45 0.00 3.06 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 0.00 108 A 7.91 4.02 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.51 4.10 0.00 2.87 3.14 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 0.00 110 K 8.46 3.95 0.00 2.27 2.08 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.60 7.81 111 T 7.99 3.86 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 1.23 0.00 0.00 112 A 8.45 3.74 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 0.00 113 I 7.41 3.25 1.94 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 1.07 -0.20 1.10 0.00 0.00 114 L 8.27 3.85 0.00 1.95 1.73 1.18 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.47 3.87 0.00 3.21 3.27 0.00 5.82 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 0.00 116 V 7.78 3.38 1.84 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 0.84 0.00 0.00 0.74 0.00 0.00 117 V 7.97 3.53 1.70 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 0.29 0.00 0.00 0.90 0.00 0.00 118 A 7.52 2.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.43 3.84 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 0.00 120 Q 7.99 4.05 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.77 0.00 121 L 8.02 4.26 0.00 1.46 1.85 1.10 0.84 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 0.00 122 G 8.02 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 0.00 123 R 8.62 4.36 0.00 1.92 2.03 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 124 C 7.85 4.41 0.00 3.05 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 0.00 125 Y 7.90 5.07 0.00 2.85 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 0.00 126 D 8.50 4.49 0.00 2.70 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 0.00 127 R 8.26 3.53 0.00 1.96 1.87 0.00 3.37 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 128 E 8.15 3.91 0.00 2.17 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 2.42 2.42 0.00 129 A 8.89 3.94 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 0.00 130 W 7.97 3.88 0.00 3.44 3.42 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 0.00 131 D 8.52 4.51 0.00 2.76 2.94 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 0.00 0.00 0.00 132 A 8.49 4.02 1.50 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 0.00 0.00 133 C 8.28 4.23 0.00 2.81 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 0.00 134 I 8.49 3.62 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.28 1.04 0.00 0.00 135 D 8.34 4.33 0.00 3.17 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 0.00 136 H 8.52 4.29 0.00 3.23 3.43 0.00 5.83 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 0.00 137 I 7.92 3.61 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 1.38 0.75 0.83 0.00 0.00 138 E 8.46 4.12 0.00 2.23 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 2.66 2.62 0.00 139 D 8.64 4.36 0.00 2.74 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 0.00 140 G 7.68 3.80 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 0.00 0.00 0.00 141 I 7.94 4.20 1.93 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 1.49 0.92 0.91 0.00 0.00 142 K 7.44 3.89 0.00 1.49 1.67 0.00 1.54 0.00 0.00 0.81 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.79 7.81 143 G 8.12 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.57 4.70 0.00 3.10 3.17 0.00 5.64 0.00 0.00 0.00 0.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.78 4.46 0.00 3.04 3.16 0.00 5.93 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