NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2743 8.2644 123.5814 51.5870 19.7083 176.3360 2 R 3.8471 8.5387 124.4385 55.5260 30.6636 170.4391 3 V 4.4423 8.2602 123.9236 61.4321 35.7655 173.0173 4 K 4.2150 8.5603 126.9844 59.2324 33.2974 176.9520 5 R 4.3125 8.2409 114.3265 56.2370 27.9259 176.2085 6 G 3.8624 7.9889 106.1720 46.6252 0.0000 175.6626 7 V 4.4263 7.2951 117.4924 61.7726 32.0553 174.9548 8 I 4.3781 7.7337 118.9582 60.8297 39.3577 175.8831 9 A 4.2312 7.8584 120.6718 52.4984 19.3524 177.2745 10 R 4.4011 7.7614 109.8203 55.2942 30.2142 175.5972 11 A 4.6706 7.8481 118.2739 52.4045 19.8837 177.0549 12 R 4.7291 7.6890 113.4699 56.1879 31.8150 175.7579 13 H 4.4699 7.9502 114.5139 54.8603 30.9383 174.6810 14 K 4.6332 7.8595 115.4566 55.6947 33.1154 176.8288 15 K 4.0877 8.0760 121.6384 58.8462 32.3560 177.9058 16 I 5.4562 7.3230 116.3405 60.3072 37.1212 175.9541 17 L 4.7077 7.8543 119.3881 54.7655 43.2265 177.0887 18 K 4.3865 7.5877 116.9985 56.5585 32.3196 176.9393 19 Q 4.6168 7.8994 116.8653 55.5324 29.2771 176.7197 20 A 4.5627 7.5608 117.3952 52.2073 21.3271 177.0184 21 K 3.7717 7.5751 117.6278 58.8665 32.9913 178.1834 22 G 3.7569 8.4461 108.0985 45.7899 0.0000 173.2977 23 Y 4.8827 6.8044 115.8595 57.7492 39.4859 175.4589 24 Y 4.5688 8.2147 119.4617 55.8269 38.1742 174.9988 25 G 4.0190 6.9824 117.3616 45.6893 0.0000 175.5338 26 A 4.1698 8.4651 126.0806 54.3162 18.5006 179.5709 27 R 4.1261 7.5066 113.7190 58.4448 30.3124 177.6326 28 S 4.8022 7.7994 109.7515 58.3158 64.8315 175.6608 29 R 4.0717 7.7188 118.7637 57.8484 29.8584 176.9148 30 V 4.4926 7.3744 116.1234 60.6857 34.4205 175.0558 31 Y 3.9281 8.8070 127.3403 60.9772 38.8193 177.9863 32 R 3.7954 7.9344 119.0498 59.6410 30.4669 178.1995 33 V 4.0827 7.0471 109.7414 60.6757 31.4472 177.3772 34 A 4.6769 7.9080 117.0971 52.9125 21.2382 177.7575 35 F 4.8344 7.9268 116.5093 59.6073 40.8419 174.5920 36 Q 4.0889 8.0753 119.5561 55.0790 30.4153 175.5279 37 A 4.5911 7.9495 118.2449 51.7236 20.2602 177.2733 38 V 4.3152 7.4418 115.5319 62.4839 32.7069 177.2919 39 I 3.6226 7.7286 120.8465 64.3058 36.8642 177.5594 40 K 3.6095 7.9661 117.9809 59.7085 31.9841 178.7807 41 A 4.2898 7.6266 119.7187 55.4143 18.3135 179.7507 42 G 3.8009 8.1193 102.5475 46.7763 0.0000 175.7454 43 Q 4.2160 7.9253 120.4109 58.9468 28.7759 177.5918 44 Y 4.4990 8.3677 117.2502 60.1181 37.7988 177.8227 45 A 4.0011 8.1204 121.6255 55.4309 18.7074 178.7599 46 Y 3.9857 7.8225 118.0153 60.5297 38.7265 178.0643 47 R 3.6788 7.8058 119.4997 58.6703 29.6682 176.9543 48 D 4.8487 8.0565 117.7608 54.6716 41.3885 178.0499 49 R 4.3513 7.2101 119.4461 56.7519 30.7121 177.9191 50 R 4.1952 7.1996 117.5804 58.4644 30.7990 178.1779 51 Q 3.6536 8.1384 119.3134 59.1098 28.8236 178.0276 52 R 4.4003 7.4004 120.6335 58.9218 29.9907 178.0475 53 K 4.3757 7.7356 117.6258 58.1978 32.1200 178.7606 54 R 4.1421 7.4214 119.1883 58.5024 30.5743 178.6635 55 Q 3.7451 7.5222 117.7793 58.6371 28.6879 178.6044 56 F 4.0113 7.2511 118.2334 60.4298 38.9548 177.3861 57 R 2.0000 7.1351 117.8865 58.3502 29.8001 177.3683 58 Q 4.3419 7.0828 114.8551 56.5047 29.0584 176.5391 59 L 4.6419 7.3604 120.2475 54.6291 43.3582 178.5937 60 W 4.4929 7.5954 119.2563 59.8277 28.9830 177.8482 61 I 4.0811 7.5190 118.3514 64.7817 36.7072 177.5252 62 A 4.1552 7.5972 120.0131 55.2900 18.1111 179.1826 63 R 4.4822 7.8296 111.7181 56.2694 31.0634 175.6794 64 I 4.6097 7.4200 120.7226 59.1824 36.6248 173.3873 65 N 5.2910 8.2646 119.8987 54.3514 44.8520 174.9384 66 A 4.7261 8.0422 116.1578 51.7732 20.0977 175.7024 67 A 4.6008 7.8953 117.9845 52.4636 18.7069 178.0975 68 A 4.8386 7.7459 117.3449 52.8366 20.6114 177.9803 69 R 4.3194 8.0432 117.6794 57.2367 31.0031 176.7877 70 Q 4.6740 7.8590 113.5533 56.0299 28.8508 176.1912 71 N 4.9851 7.3406 111.8105 53.8641 41.9202 174.9104 72 G 3.8392 6.8199 110.8052 46.0633 0.0000 174.3390 73 I 4.4034 5.8204 125.9520 58.3212 41.5528 174.2662 74 S 4.3140 8.3245 118.0426 58.6377 63.4524 174.9434 75 Y 4.2058 9.2806 125.2066 61.5218 38.2252 179.3716 76 S 4.5247 8.4171 114.0573 60.6476 63.1141 175.5437 77 K 4.5595 7.9133 117.5246 56.1749 32.6852 176.8180 78 F 5.0591 8.1667 120.8906 58.4682 40.1820 176.1035 79 I 3.9028 7.6838 115.6470 61.9485 38.1706 175.6260 80 N 4.8625 7.9965 115.5170 54.1898 39.2216 176.4045 81 G 3.7856 7.6753 107.0434 46.4453 0.0000 175.8348 82 L 4.0745 7.8333 120.6380 56.5691 41.5646 178.0819 83 K 4.4794 7.3296 115.6628 56.2750 32.4994 177.1055 84 K 4.3204 7.7558 119.7074 57.6676 33.4823 177.1229 85 A 4.1509 8.1551 119.4600 51.2418 19.0609 174.2753 86 S 3.9205 7.7346 120.4121 59.2598 63.5896 171.8138 87 V 2.9588 9.0620 117.1590 62.4518 31.1446 171.8644 88 E 3.8920 8.5067 114.5241 58.6115 25.9783 175.0166 89 I 4.0165 7.1095 115.5211 62.0746 39.4880 178.3072 90 D 4.0813 8.1972 114.5727 55.9352 36.9211 176.1799 91 R 3.6272 8.1173 127.4723 56.8512 29.1039 176.1709 92 K 4.5847 8.1526 112.5574 58.0565 36.6098 177.4075 93 I 2.0000 6.8539 118.7312 62.9711 37.6893 175.1822 94 L 4.1228 7.3599 120.6400 56.2284 40.7517 176.5242 95 A 5.4227 7.7000 135.0000 53.1334 20.0743 176.7864 96 D 4.3709 7.0350 116.2521 56.3010 41.1590 177.3039 97 I 3.6750 7.2542 111.2406 58.9053 37.8538 176.2756 98 A 4.7671 7.3505 118.5603 53.4831 20.5527 176.9861 99 V 3.9875 6.5156 114.6127 64.1205 34.1244 175.7885 100 F 4.2930 7.7472 112.7984 57.8459 39.7937 175.0224 101 D 4.3040 8.7323 120.2638 55.5498 38.7997 174.2768 102 K 4.4654 7.9855 116.8782 56.8861 32.8147 177.2212 103 V 3.8016 7.7670 110.6764 63.9351 32.1207 176.7217 104 A 4.5139 7.7348 124.1726 48.1857 17.5138 176.8221 105 F 5.7277 6.8163 135.0000 58.9518 41.9347 173.9351 106 T 4.3989 7.3240 107.6962 61.2482 70.4962 175.2736 107 A 4.3924 7.5043 123.0046 53.0262 20.1497 177.0267 108 L 4.5720 7.6407 118.4313 56.1154 43.0845 178.4037 109 V 3.8124 7.1511 117.9685 64.0757 31.7538 176.3823 110 E 4.6918 7.6445 115.8209 55.9417 31.6044 177.3260 111 K 4.0489 7.8479 120.4418 59.2673 31.9941 178.5219 112 A 4.1298 7.8210 121.2376 54.5535 18.0510 178.8723 113 K 4.5497 7.2850 113.9144 56.4155 32.6515 177.7881 114 A 4.0803 7.7529 124.9522 54.1076 18.4495 179.1133 115 A 4.5375 7.7037 114.0821 51.2746 19.9548 176.3479 116 L 4.0500 7.9753 117.0989 54.6877 42.7174 173.6747 117 A 4.4385 8.4942 126.3605 52.6768 18.3257 177.1467 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 A 8.26 4.27 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 2 R 8.54 3.85 0.00 1.86 1.85 0.00 3.20 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 3 V 8.26 4.44 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 0.81 0.00 0.00 0.99 0.00 0.00 4 K 8.56 4.21 0.00 1.72 1.76 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.41 7.81 5 R 8.24 4.31 0.00 1.86 2.25 0.00 3.23 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 6 G 7.99 3.86 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 0.00 0.00 0.00 7 V 7.30 4.43 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 0.67 0.00 0.00 0.89 0.00 0.00 8 I 7.73 4.38 1.82 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 1.31 1.28 0.84 0.00 0.00 9 A 7.86 4.23 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 10 R 7.76 4.40 0.00 1.80 1.85 0.00 2.91 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 11 A 7.85 4.67 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 12 R 7.69 4.73 0.00 1.72 1.80 0.00 3.08 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 13 H 7.95 4.47 0.00 2.88 2.97 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.86 4.63 0.00 1.82 1.78 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.37 7.81 15 K 8.08 4.09 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.47 7.81 16 I 7.32 5.46 2.26 0.00 0.00 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 1.39 1.85 1.16 0.00 0.00 17 L 7.85 4.71 0.00 1.79 1.72 1.08 1.06 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 18 K 7.59 4.39 0.00 1.58 1.82 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.54 7.81 19 Q 7.90 4.62 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 20 A 7.56 4.56 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.58 3.77 0.00 1.80 1.82 0.00 1.49 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.27 7.81 22 G 8.45 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 6.80 4.88 0.00 3.12 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 24 Y 8.21 4.57 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 25 G 6.98 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 0.00 0.00 0.00 26 A 8.47 4.17 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 27 R 7.51 4.13 0.00 1.94 2.25 0.00 3.31 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 28 S 7.80 4.80 0.00 3.85 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 29 R 7.72 4.07 0.00 1.87 2.04 0.00 3.10 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 30 V 7.37 4.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 31 Y 8.81 3.93 0.00 3.17 2.99 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 32 R 7.93 3.80 0.00 1.98 1.97 0.00 3.42 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 33 V 7.05 4.08 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 0.71 0.00 0.00 1.07 0.00 0.00 34 A 7.91 4.68 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 35 F 7.93 4.83 0.00 2.35 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.08 4.09 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 37 A 7.95 4.59 1.25 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 0.00 0.00 0.00 38 V 7.44 4.32 2.22 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 0.89 0.00 0.00 1.09 0.00 0.00 39 I 7.73 3.62 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 0.85 0.00 0.00 40 K 7.97 3.61 0.00 1.79 1.50 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 41 A 7.63 4.29 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 42 G 8.12 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 43 Q 7.93 4.22 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 44 Y 8.37 4.50 0.00 3.28 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 45 A 8.12 4.00 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 46 Y 7.82 3.99 0.00 3.24 3.33 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 47 R 7.81 3.68 0.00 2.13 2.10 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 48 D 8.06 4.85 0.00 2.71 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 49 R 7.21 4.35 0.00 1.58 1.93 0.00 3.24 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 50 R 7.20 4.20 0.00 1.80 1.86 0.00 3.16 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 51 Q 8.14 3.65 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 52 R 7.40 4.40 0.00 2.17 2.01 0.00 3.29 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.68 0.00 53 K 7.74 4.38 0.00 1.91 1.91 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.71 7.81 54 R 7.42 4.14 0.00 1.88 1.84 0.00 3.04 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 55 Q 7.52 3.75 0.00 1.49 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 56 F 7.25 4.01 0.00 3.06 3.29 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 57 R 7.14 2.00 0.00 1.43 1.54 0.00 3.14 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 58 Q 7.08 4.34 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.36 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 59 L 7.36 4.64 0.00 1.73 1.69 0.80 0.87 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 60 W 7.60 4.49 0.00 3.63 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 61 I 7.52 4.08 1.96 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 1.82 0.84 0.72 0.00 0.00 62 A 7.60 4.16 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 63 R 7.83 4.48 0.00 2.13 2.23 0.00 2.74 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 64 I 7.42 4.61 2.07 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 1.31 0.85 0.85 0.00 0.00 65 N 8.26 5.29 0.00 2.89 2.85 0.00 0.00 7.00 7.96 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 66 A 8.04 4.73 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 67 A 7.90 4.60 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 68 A 7.75 4.84 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 69 R 8.04 4.32 0.00 1.97 2.12 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 70 Q 7.86 4.67 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 71 N 7.34 4.99 0.00 3.02 3.20 0.00 0.00 6.90 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 6.82 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 73 I 5.82 4.40 1.52 0.00 0.00 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 1.32 0.86 0.48 0.00 0.00 74 S 8.32 4.31 0.00 3.97 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 75 Y 9.28 4.21 0.00 3.39 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 76 S 8.42 4.52 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.91 4.56 0.00 1.78 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.58 7.81 78 F 8.17 5.06 0.00 3.28 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 79 I 7.68 3.90 1.44 0.00 0.00 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 1.55 0.74 1.02 0.00 0.00 80 N 8.00 4.86 0.00 2.89 2.85 0.00 0.00 7.02 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 81 G 7.68 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 82 L 7.83 4.07 0.00 1.74 1.64 0.71 0.75 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 83 K 7.33 4.48 0.00 1.88 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.56 7.81 84 K 7.76 4.32 0.00 2.00 2.03 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.48 7.81 85 A 8.16 4.15 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 86 S 7.73 3.92 0.00 4.06 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 87 V 9.06 2.96 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 0.66 0.00 0.00 0.92 0.00 0.00 88 E 8.51 3.89 0.00 2.07 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 2.20 2.23 0.00 89 I 7.11 4.02 1.84 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 1.33 0.78 0.85 0.00 0.00 90 D 8.20 4.08 0.00 2.65 2.88 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 91 R 8.12 3.63 0.00 1.74 1.75 0.00 3.11 0.00 0.00 3.15 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 92 K 8.15 4.58 0.00 2.19 2.14 0.00 2.01 0.00 0.00 1.93 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.54 7.81 93 I 6.85 2.00 0.56 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.75 0.15 0.00 0.00 94 L 7.36 4.12 0.00 1.70 1.49 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.70 5.42 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 96 D 7.03 4.37 0.00 2.60 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 97 I 7.25 3.68 1.75 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 1.08 1.24 0.92 0.00 0.00 98 A 7.35 4.77 0.69 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 99 V 6.52 3.99 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 0.90 0.00 0.00 0.76 0.00 0.00 100 F 7.75 4.29 0.00 3.32 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 0.00 101 D 8.73 4.30 0.00 3.16 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 0.00 102 K 7.99 4.47 0.00 2.06 1.86 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.77 7.81 103 V 7.77 3.80 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 0.77 0.00 0.00 1.01 0.00 0.00 104 A 7.73 4.51 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 0.00 105 F 6.82 5.73 0.00 3.07 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 0.00 106 T 7.32 4.40 4.18 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 1.28 0.00 0.00 107 A 7.50 4.39 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 0.00 108 L 7.64 4.57 0.00 1.73 1.73 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.15 3.81 1.87 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 1.06 0.00 0.00 -0.07 0.00 0.00 110 E 7.64 4.69 0.00 2.02 1.89 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 2.23 2.14 0.00 111 K 7.85 4.05 0.00 1.78 1.91 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.43 7.81 112 A 7.82 4.13 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 0.00 113 K 7.29 4.55 0.00 1.97 1.84 0.00 2.02 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.65 7.81 114 A 7.75 4.08 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 0.00 115 A 7.70 4.54 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 0.00 116 L 7.98 4.05 0.00 1.80 1.99 0.93 1.11 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 0.00 117 A 8.49 4.44 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00