NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9719 8.0549 120.2876 61.5330 32.6888 174.0151 2 E 4.0487 8.1212 117.9177 53.5271 32.0529 174.3871 3 W 4.8874 8.0713 120.9478 57.9190 30.7584 176.3128 4 T 4.7281 9.0131 113.0628 60.1817 71.7231 175.8446 5 D 4.3549 8.4832 122.0675 57.3265 41.0248 178.5897 6 K 3.8413 8.1766 119.7173 59.9538 32.1188 178.3270 7 E 4.0657 8.1733 118.0430 59.4674 29.3726 179.6039 8 R 3.7307 8.1362 118.1054 59.1401 30.1293 178.8944 9 S 4.0354 8.2987 113.0552 61.4542 62.4475 175.9741 10 I 3.6696 7.6338 122.1619 64.8024 37.0453 178.5362 11 I 3.9126 8.2867 120.8589 64.3801 36.8884 178.7504 12 S 4.1216 8.2040 115.2848 61.1620 62.6151 176.0533 13 D 4.2044 8.6102 122.0160 57.1834 40.5791 178.1271 14 I 3.6329 8.1528 120.6073 64.6494 36.9811 178.4277 15 F 3.7142 8.1241 116.2474 59.3902 38.8319 177.0037 16 S 4.4929 7.7164 112.4495 59.2292 63.4464 174.3318 17 H 4.8040 7.2796 117.9087 55.5668 29.2015 174.0331 18 M 3.8703 7.0726 120.0483 54.8177 32.7595 175.9112 19 D 4.4987 8.0451 124.8265 52.7877 41.8518 176.1529 20 Y 4.3009 8.0091 125.8913 61.5225 37.7385 178.5368 21 D 4.3689 8.2658 117.9720 56.8236 41.3242 177.5713 22 D 4.5382 7.7092 117.5570 56.6707 41.8372 178.4211 23 I 3.8817 8.1001 120.7997 64.1823 37.1307 178.3595 24 G 3.8032 8.3659 106.9255 47.5915 0.0000 173.6745 25 P 4.2594 0.0000 0.0000 64.9951 31.3020 178.8487 26 K 3.9143 7.6544 115.5035 59.3485 31.9727 179.2555 27 A 3.9647 8.0484 120.8962 55.0979 18.3085 179.2688 28 L 3.7892 7.7779 118.2894 58.3971 42.2166 178.9720 29 S 4.0326 8.0573 115.0325 61.9906 62.8442 177.0783 30 R 3.8214 7.7686 120.6963 59.4664 29.7780 178.1241 31 C 4.1984 7.9902 118.4940 62.6284 31.5122 175.6513 32 L 3.9448 8.0399 120.5501 57.3355 40.8498 179.5668 33 I 3.7349 7.4631 119.0654 64.1270 37.4975 178.2793 34 V 3.4862 7.9630 117.7189 64.4972 32.9186 175.6821 35 Y 3.7471 7.2756 115.8070 54.3295 37.9806 174.0837 36 P 4.6269 0.0000 0.0000 63.9751 31.9084 178.4995 37 W 4.2853 7.5862 116.8837 59.8392 27.9442 177.8408 38 T 3.9539 7.0615 116.2746 66.9574 67.7376 175.8902 39 Q 4.3282 7.9766 118.8967 57.9705 28.4008 178.5259 40 R 3.8883 7.9150 120.4318 59.5294 30.2090 177.2663 41 H 4.2888 7.6816 113.3265 57.1793 29.1515 175.7770 42 F 4.1995 7.4015 118.7305 56.7894 39.5544 178.3450 43 S 4.1427 8.2366 118.7782 61.8370 62.7115 177.2628 44 G 3.8689 8.0037 106.6926 47.8702 0.0000 174.4826 45 F 4.4998 8.1901 118.5487 59.2053 40.0718 175.8740 46 G 4.0125 7.5704 105.8438 43.7668 0.0000 176.0417 47 N 4.4638 8.7685 124.9349 54.1423 37.2970 173.3890 48 L 4.7893 8.1305 122.4420 54.3957 43.0550 177.2876 49 Y 4.4838 7.7445 120.7808 60.2793 38.8388 175.8014 50 N 4.6129 7.4384 113.5475 50.5632 40.2417 174.0392 51 A 3.9297 8.5009 118.3946 55.6841 18.1746 179.4756 52 E 4.0586 8.0827 115.9099 58.6038 29.5123 179.0497 53 A 4.0494 7.4641 120.3538 55.1151 18.8448 179.4315 54 I 3.8106 7.5350 117.9713 64.7040 37.0072 178.7339 55 I 3.8076 7.5309 119.1863 63.8940 37.0372 177.8970 56 G 3.9839 7.5552 103.7598 43.7546 0.0000 173.3518 57 N 4.3494 7.5583 120.8838 53.3554 39.4538 175.5679 58 A 4.0410 8.6019 127.9886 55.0632 18.4723 178.9550 59 N 3.9414 8.3869 115.5737 56.2629 38.4712 177.7626 60 V 3.6098 7.6421 118.9848 65.6125 31.7577 177.8079 61 A 3.9187 7.7823 119.8248 55.2737 18.1443 179.4694 62 A 3.9489 8.0172 119.2232 55.6059 18.5030 179.2547 63 H 4.3778 8.1520 116.3007 58.8436 29.7960 177.7910 64 G 3.6501 8.1516 108.0575 47.7419 0.0000 175.7367 65 I 3.7408 7.7540 122.2097 64.2436 37.1493 178.7368 66 K 4.0749 7.8676 119.1449 59.1579 31.8816 179.6671 67 V 3.6664 7.6220 118.4642 65.6776 31.4366 177.8940 68 L 4.1316 7.7175 120.1963 58.6190 42.1464 178.5921 69 H 4.0853 8.0244 116.2919 58.8946 28.3790 178.0846 70 G 3.8075 8.0075 106.4521 47.5854 0.0000 175.5454 71 L 4.4654 7.9402 122.6446 57.2297 41.6922 178.5960 72 D 4.2041 8.3660 118.0604 57.7699 39.7377 178.8969 73 R 4.0126 7.8024 117.5268 58.9339 29.5026 178.9524 74 G 3.8806 8.2134 105.0740 46.8042 0.0000 176.1598 75 V 3.2269 7.1778 119.8139 65.8250 31.5416 178.0087 76 K 4.1314 7.3185 116.9810 58.1153 32.3323 176.8549 77 N 5.1028 7.6438 116.5460 52.4638 39.5017 176.2778 78 M 4.0888 8.3174 119.2566 58.2740 32.2438 177.6005 79 D 4.8698 8.0688 115.9751 54.8443 42.1053 175.7376 80 N 5.1094 8.2230 119.3418 52.3017 39.6312 176.2641 81 I 3.6757 8.2134 113.0997 64.1514 37.6439 176.6716 82 A 3.9807 7.9654 121.1533 54.5789 18.3778 179.0633 83 A 4.0620 7.9216 118.6227 55.3515 18.3028 179.7559 84 T 3.7569 7.7241 113.7489 66.2476 68.6060 175.3123 85 Y 4.6280 7.5744 116.2199 57.8040 38.3357 177.3411 86 A 4.0215 7.5306 122.3754 55.2774 18.5124 179.3461 87 D 4.2914 8.0681 116.6660 56.6322 39.4083 178.5207 88 L 4.0051 7.9121 120.2596 57.4748 41.6987 178.7350 89 S 4.5159 8.5050 114.5045 61.3372 62.2032 176.3247 90 T 3.8847 8.0489 117.7778 66.7612 68.3055 176.3653 91 L 3.9954 8.0445 121.9678 58.4301 42.0771 178.7532 92 H 4.3090 8.6969 116.4472 58.5009 28.7722 177.6784 93 S 4.4404 9.0440 117.5635 61.0048 63.1056 176.1912 94 E 4.3478 8.5140 118.6859 57.5784 30.2510 177.8275 95 K 4.0864 8.1350 119.1647 58.7634 32.5668 177.5301 96 L 4.0983 7.8107 117.2966 55.1300 42.6821 176.3938 97 H 4.1520 7.7394 113.2660 55.4205 25.7838 174.9674 98 V 3.8749 7.7828 117.7564 61.1175 32.6136 175.0659 99 D 4.3800 8.5660 126.9981 53.8455 41.6598 175.2628 100 P 4.1016 0.0000 0.0000 65.5300 31.8768 178.2938 101 D 4.3714 8.4179 118.5359 57.3254 40.4839 178.2712 102 N 4.3021 7.9711 117.0313 56.2271 38.4079 177.3868 103 F 4.3496 7.2835 118.9087 60.5911 39.1524 177.6258 104 K 3.9782 8.1379 118.5775 59.2738 31.7965 178.7567 105 L 3.7802 7.5794 119.1882 57.4339 41.6410 179.0458 106 L 3.9861 8.1347 120.4431 58.2554 42.0657 178.8444 107 S 4.2083 8.2412 115.2092 62.1801 62.7921 176.7450 108 D 4.4962 8.1219 120.7923 57.4902 40.4758 178.7264 109 C 4.2584 8.0633 117.4421 62.6735 28.1236 176.1402 110 I 3.7563 7.7132 121.0777 64.6615 36.6740 178.4525 111 T 3.9385 8.2020 116.5429 66.7954 68.2338 176.5424 112 I 3.6790 8.0947 121.8349 64.5464 37.0724 178.6790 113 V 3.5073 8.1684 119.3144 65.8745 31.2949 177.8096 114 L 3.6300 8.2951 120.2538 57.8252 41.8386 178.7046 115 A 3.3536 8.0302 121.1796 54.8616 17.9905 179.4190 116 A 3.9555 7.3474 118.4966 54.5822 18.5845 179.6158 117 K 3.9552 7.3795 117.8015 59.9691 32.6002 178.7731 118 M 4.1850 8.5000 118.5031 56.2945 32.2808 177.7263 119 G 3.8154 8.6024 108.6654 46.9770 0.0000 175.9527 120 H 4.2602 8.9761 119.2451 57.4144 28.9453 176.2849 121 A 4.1272 7.6516 122.5817 54.6566 18.6707 178.3811 122 F 4.4166 7.6158 119.8404 57.4848 37.4336 175.2024 123 T 4.0818 7.3259 115.7420 60.6058 71.2342 175.2034 124 A 3.8467 8.3201 122.9153 55.2510 18.3614 179.6041 125 E 3.8317 7.9603 117.1879 59.7965 29.8980 178.9533 126 T 3.8352 7.5562 115.3158 66.5738 68.3550 176.3523 127 Q 3.8320 8.5113 122.7346 58.8692 29.0321 178.5618 128 G 3.6436 8.3836 106.8136 47.7941 0.0000 175.3949 129 A 4.2009 8.1235 123.7879 54.9376 18.4067 179.4933 130 F 4.3505 8.3218 118.6640 61.7282 39.3879 177.3699 131 Q 4.0247 8.7275 117.9599 58.4014 28.4197 178.3490 132 K 3.9460 8.3578 120.9112 59.5144 32.2855 178.1873 133 F 4.5802 8.6239 120.8719 61.9338 39.1991 177.2808 134 L 3.7995 8.1444 117.9760 57.2481 41.2197 179.4108 135 A 3.8908 8.1248 121.3268 55.0581 18.4636 179.5100 136 V 3.4608 7.9415 116.8793 66.3414 31.4793 178.8022 137 V 3.4504 7.8213 118.7663 64.4157 31.2527 178.4422 138 V 3.3177 7.7614 119.4931 65.6176 31.2968 178.1005 139 S 4.1417 8.3634 115.3410 61.6232 62.5011 176.6177 140 A 4.2078 7.4994 121.2993 54.7099 18.4897 179.1752 141 L 3.8801 7.4104 117.4669 56.5623 41.2464 178.9753 142 G 3.5737 7.9341 104.9692 47.1577 0.0000 178.6054 143 K 4.6572 8.2750 118.9316 58.6020 35.4811 176.3796 144 Q 3.9273 7.5446 118.0683 56.6854 29.0980 175.1573 145 Y 5.0307 8.0646 118.0319 56.5486 39.8907 175.2983 146 H 4.3394 8.8630 119.4357 56.4924 27.9602 173.9647 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 3.97 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 0.86 0.00 0.00 0.87 0.00 0.00 2 E 8.12 4.05 0.00 1.92 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 2.00 2.21 0.00 3 W 8.07 4.89 0.00 3.33 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 4 T 9.01 4.73 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 1.28 0.00 0.00 5 D 8.48 4.35 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.18 3.84 0.00 1.89 1.87 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.65 7.81 7 E 8.17 4.07 0.00 2.46 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 0.00 2.51 2.49 0.00 8 R 8.14 3.73 0.00 2.00 1.89 0.00 3.20 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 1.51 1.98 0.00 9 S 8.30 4.04 0.00 3.87 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 10 I 7.63 3.67 2.04 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 1.53 0.60 0.96 0.00 0.00 11 I 8.29 3.91 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.11 0.32 0.00 0.00 12 S 8.20 4.12 0.00 4.00 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 13 D 8.61 4.20 0.00 2.90 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 14 I 8.15 3.63 2.04 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 1.44 0.77 0.42 0.00 0.00 15 F 8.12 3.71 0.00 3.14 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.72 4.49 0.00 3.99 4.10 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 0.00 0.00 0.00 17 H 7.28 4.80 0.00 3.09 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.07 3.87 0.00 1.20 1.70 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 19 D 8.05 4.50 0.00 2.71 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.01 4.30 0.00 3.05 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 21 D 8.27 4.37 0.00 2.91 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 22 D 7.71 4.54 0.00 2.75 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 23 I 8.10 3.88 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.87 0.00 0.00 24 G 8.37 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 25 P 0.00 4.26 0.00 2.16 2.11 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 26 K 7.65 3.91 0.00 1.99 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.52 7.81 27 A 8.05 3.96 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 28 L 7.78 3.79 0.00 1.89 1.62 0.88 1.06 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 29 S 8.06 4.03 0.00 4.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.77 3.82 0.00 1.87 2.13 0.00 3.08 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 C 7.99 4.20 0.00 3.17 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 32 L 8.04 3.94 0.00 1.82 1.62 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.46 3.73 1.76 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 1.32 0.50 0.80 0.00 0.00 34 V 7.96 3.49 1.74 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 0.05 0.00 0.00 0.75 0.00 0.00 35 Y 7.28 3.75 0.00 2.74 1.64 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 36 P 0.00 4.63 0.00 2.23 2.25 0.00 3.52 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.84 0.00 37 W 7.59 4.29 0.00 3.66 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.06 3.95 4.21 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 1.25 0.00 0.00 39 Q 7.98 4.33 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 40 R 7.92 3.89 0.00 1.88 1.85 0.00 3.21 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 41 H 7.68 4.29 0.00 2.44 2.81 0.00 5.68 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 42 F 7.40 4.20 0.00 2.94 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 43 S 8.24 4.14 0.00 3.84 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 44 G 8.00 3.87 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 0.00 0.00 0.00 45 F 8.19 4.50 0.00 3.37 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 46 G 7.57 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 0.00 0.00 0.00 47 N 8.77 4.46 0.00 2.72 2.85 0.00 0.00 6.61 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.13 4.79 0.00 1.69 1.66 1.04 1.00 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 49 Y 7.74 4.48 0.00 2.97 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 50 N 7.44 4.61 0.00 2.50 1.88 0.00 0.00 6.03 7.50 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 51 A 8.50 3.93 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 52 E 8.08 4.06 0.00 1.99 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 2.37 2.31 0.00 53 A 7.46 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.54 3.81 2.00 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 1.52 1.07 0.89 0.00 0.00 55 I 7.53 3.81 1.85 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 1.42 0.59 0.89 0.00 0.00 56 G 7.56 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 57 N 7.56 4.35 0.00 2.97 2.83 0.00 0.00 6.97 8.59 0.00 0.00 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 A 8.60 4.04 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 59 N 8.39 3.94 0.00 2.57 1.78 0.00 0.00 6.53 7.74 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 60 V 7.64 3.61 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 1.01 0.00 0.00 1.06 0.00 0.00 61 A 7.78 3.92 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 62 A 8.02 3.95 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 63 H 8.15 4.38 0.00 3.55 3.57 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 64 G 8.15 3.65 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 0.00 0.00 0.00 65 I 7.75 3.74 2.07 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 1.70 0.77 0.86 0.00 0.00 66 K 7.87 4.07 0.00 1.85 1.85 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.62 7.81 67 V 7.62 3.67 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 1.08 0.00 0.00 1.04 0.00 0.00 68 L 7.72 4.13 0.00 2.04 1.70 1.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.02 4.09 0.00 3.13 3.21 0.00 5.67 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 70 G 8.01 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 0.00 0.00 0.00 71 L 7.94 4.47 0.00 2.37 2.21 1.30 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.37 4.20 0.00 2.96 2.92 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 73 R 7.80 4.01 0.00 1.88 1.83 0.00 3.35 0.00 0.00 2.94 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 74 G 8.21 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 75 V 7.18 3.23 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 0.51 0.00 0.00 -0.63 0.00 0.00 76 K 7.32 4.13 0.00 1.96 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.50 7.81 77 N 7.64 5.10 0.00 2.84 2.69 0.00 0.00 6.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.32 4.09 0.00 1.49 1.89 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 1.90 0.00 79 D 8.07 4.87 0.00 2.72 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 80 N 8.22 5.11 0.00 2.73 2.67 0.00 0.00 6.78 7.75 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 81 I 8.21 3.68 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.11 1.11 0.00 0.00 82 A 7.97 3.98 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 83 A 7.92 4.06 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 84 T 7.72 3.76 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 0.77 0.00 0.00 85 Y 7.57 4.63 0.00 2.91 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 86 A 7.53 4.02 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 87 D 8.07 4.29 0.00 2.89 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 88 L 7.91 4.01 0.00 2.03 1.78 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.51 4.52 0.00 4.00 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 90 T 8.05 3.88 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 91 L 8.04 4.00 0.00 1.84 1.88 0.91 0.86 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 92 H 8.70 4.31 0.00 3.40 3.78 0.00 5.85 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 93 S 9.04 4.44 0.00 4.15 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.51 4.35 0.00 2.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.06 0.00 95 K 8.13 4.09 0.00 1.71 1.95 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.43 7.81 96 L 7.81 4.10 0.00 1.94 1.77 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.74 4.15 0.00 3.29 3.34 0.00 5.74 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.78 3.87 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 0.21 0.00 0.00 0.63 0.00 0.00 99 D 8.57 4.38 0.00 2.68 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 0.00 0.00 0.00 0.00 100 P 0.00 4.10 0.00 2.17 2.23 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 101 D 8.42 4.37 0.00 2.87 2.69 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 0.00 102 N 7.97 4.30 0.00 2.52 2.80 0.00 0.00 6.98 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.28 4.35 0.00 3.10 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.14 3.98 0.00 1.81 2.00 0.00 1.74 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.49 7.81 105 L 7.58 3.78 0.00 1.60 0.90 0.68 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.13 3.99 0.00 1.83 1.76 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.24 4.21 0.00 4.08 3.94 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 0.00 108 D 8.12 4.50 0.00 2.94 2.82 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 0.00 109 C 8.06 4.26 0.00 3.20 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 0.00 110 I 7.71 3.76 2.18 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 1.64 0.63 1.18 0.00 0.00 111 T 8.20 3.94 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 112 I 8.09 3.68 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.89 0.00 0.00 113 V 8.17 3.51 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 0.93 0.00 0.00 1.01 0.00 0.00 114 L 8.30 3.63 0.00 1.46 1.00 0.59 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.03 3.35 1.14 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 0.00 116 A 7.35 3.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.38 3.96 0.00 1.61 1.82 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.38 7.81 118 M 8.50 4.18 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 119 G 8.60 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 0.00 120 H 8.98 4.26 0.00 3.15 3.43 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.65 4.13 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 0.00 122 F 7.62 4.42 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 0.00 123 T 7.33 4.08 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 1.21 0.00 0.00 124 A 8.32 3.85 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 0.00 125 E 7.96 3.83 0.00 2.03 1.91 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 2.36 2.40 0.00 126 T 7.56 3.84 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 1.17 0.00 0.00 127 Q 8.51 3.83 0.00 1.43 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 128 G 8.38 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 0.00 129 A 8.12 4.20 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 0.00 130 F 8.32 4.35 0.00 3.44 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 0.00 131 Q 8.73 4.02 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 132 K 8.36 3.95 0.00 2.11 2.34 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.16 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.29 1.40 7.81 133 F 8.62 4.58 0.00 3.20 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 0.00 134 L 8.14 3.80 0.00 1.81 1.58 0.66 0.81 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 0.00 135 A 8.12 3.89 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 0.00 136 V 7.94 3.46 2.40 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 1.15 0.00 0.00 0.73 0.00 0.00 137 V 7.82 3.45 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 -0.11 0.00 0.00 0.27 0.00 0.00 138 V 7.76 3.32 2.14 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 1.09 0.00 0.00 0.92 0.00 0.00 139 S 8.36 4.14 0.00 3.92 3.85 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 0.00 140 A 7.50 4.21 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 0.00 141 L 7.41 3.88 0.00 0.51 0.23 0.16 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.93 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 0.00 143 K 8.28 4.66 0.00 1.81 2.29 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.27 7.81 144 Q 7.54 3.93 0.00 1.77 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.74 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 145 Y 8.06 5.03 0.00 2.83 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 0.00 146 H 8.86 4.34 0.00 3.18 3.24 0.00 5.75 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