NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8716 8.3544 109.7291 45.6560 0.0000 172.7590 2 S 4.2856 8.1858 117.1333 56.4742 64.9438 171.8501 3 S 4.3179 8.1723 117.0571 57.5286 65.8774 172.0689 4 G 3.1672 8.0297 106.0540 44.6720 0.0000 173.1322 5 S 4.8088 8.2667 122.8419 56.2388 65.7055 174.2833 6 S 4.7498 8.3774 119.1829 56.9509 66.7028 173.8151 7 G 4.0565 8.4548 110.0747 45.7614 0.0000 173.8594 8 L 4.6480 7.5924 118.8912 52.3493 43.6857 176.9944 9 N 4.5546 8.6263 120.9764 53.2690 39.2854 174.4523 10 R 4.6077 8.2618 119.9615 54.7932 32.2139 175.8864 11 D 4.6109 8.7104 122.1565 54.7235 40.4859 177.0125 12 S 4.4771 7.7767 113.9180 55.2761 65.6279 174.0126 13 V 3.4519 8.4654 125.4422 60.9790 31.2518 174.3497 14 P 4.4377 0.0000 0.0000 62.4662 31.9075 175.5099 15 D 4.7000 8.4622 116.8591 54.7051 41.1749 175.6953 16 N 5.0739 7.6049 114.3371 53.1698 36.8553 173.9316 17 H 4.1272 7.9820 118.5234 56.2761 30.6070 174.2486 18 P 4.4126 0.0000 0.0000 65.2706 31.5749 177.2856 19 T 4.3979 7.4671 107.7349 61.5830 69.9995 173.9995 20 K 4.8744 6.7670 117.8624 54.8124 35.6642 176.7439 21 F 4.5267 8.5508 121.3978 56.4229 42.7471 173.9252 22 K 4.3816 8.8967 124.5065 57.1463 32.3386 177.1633 23 V 4.7111 9.1230 118.9265 59.9975 35.5554 175.5497 24 T 4.9259 8.7729 117.8721 61.4517 71.5547 172.8084 25 N 4.2767 8.9479 126.1095 54.4480 39.9264 174.2622 26 V 5.3716 8.0204 119.0304 59.0392 35.4483 174.0973 27 D 4.7833 8.1231 120.5759 51.1482 41.8272 176.3360 28 D 4.3084 8.7504 117.9349 57.7344 40.9402 177.7631 29 E 3.9732 8.3020 116.8461 58.5833 29.5645 177.6987 30 G 4.0275 8.5196 104.6906 45.0825 0.0000 174.1570 31 V 3.7162 7.9569 113.7949 61.4895 32.1384 174.9303 32 E 4.6112 8.4647 120.8159 55.5300 29.9414 175.9638 33 L 4.4111 8.5913 124.6398 56.3998 42.4695 177.4436 34 G 4.4279 7.7842 104.2957 44.8226 0.0000 171.3549 35 S 5.0243 8.6850 116.2762 57.4140 65.0433 173.2673 36 G 4.8025 9.0740 107.9382 44.7828 0.0000 171.7701 37 V 4.8431 8.3880 119.5335 61.1176 34.2705 173.7916 38 M 4.9735 8.7458 127.7171 54.4423 34.1223 174.1040 39 E 4.7550 8.7637 126.0891 54.5806 32.7784 174.8366 40 L 4.9812 8.4918 127.8359 53.0092 41.2699 174.7419 41 T 4.6743 8.0750 117.0784 59.7474 69.8698 175.4391 42 Q 3.9078 8.8048 126.9337 59.3805 28.4795 178.4787 43 S 4.0492 7.4647 111.8619 59.0751 62.7265 174.5567 44 E 3.6151 7.8132 115.2920 55.5851 33.8622 173.8472 45 L 5.0087 7.3647 119.8075 53.3057 42.9916 176.5368 46 V 4.8363 8.3641 123.1579 61.0609 34.5607 173.8687 47 L 5.1122 8.7014 127.4184 53.7057 44.1636 175.0824 48 H 5.2776 8.9141 119.7521 54.2678 31.9732 173.3710 49 L 4.8312 8.2785 120.6639 54.8665 43.6932 173.7528 50 H 4.2701 9.1729 118.5867 56.3717 29.9320 175.9794 51 R 3.7590 7.8189 119.1225 59.1305 29.9626 177.4239 52 R 3.9900 7.3872 115.6171 55.3339 31.0004 175.9836 53 E 3.9642 8.4997 117.3323 56.4428 30.1041 176.8677 54 A 4.4308 8.1055 124.1575 51.3995 20.7544 176.1134 55 V 4.2571 7.5427 116.4846 61.5913 35.2996 174.3907 56 R 4.8267 7.3105 121.7107 54.1974 34.5467 174.9872 57 W 5.0301 9.1137 121.5306 54.2393 32.7648 173.0996 58 P 4.4804 0.0000 0.0000 62.4158 31.4521 177.0594 59 Y 4.3629 8.3410 120.1870 60.9106 37.3412 177.0926 60 L 4.0883 7.0094 118.9756 56.4661 42.3477 178.2197 61 C 3.8854 8.2953 119.3285 63.5402 28.5318 173.8995 62 L 4.2383 7.8764 123.9406 54.5619 40.4195 177.2571 63 R 4.2524 8.5350 120.1970 58.0521 30.0643 177.8869 64 R 4.7516 7.9021 114.4487 53.8628 32.2735 173.4102 65 Y 4.8975 8.5066 118.5998 56.0686 40.1721 173.6843 66 G 4.5546 7.8621 113.9263 45.5295 0.0000 170.0542 67 Y 5.0948 7.7258 116.7017 56.8740 40.9906 173.0907 68 D 3.7964 8.9272 117.9259 53.3605 45.3386 175.8214 69 S 4.1157 9.0016 116.0807 60.6427 62.8117 175.1927 70 N 4.8369 8.9326 123.7152 52.2098 36.5422 173.5096 71 L 5.0021 8.5364 121.7766 54.8984 46.2923 174.4584 72 F 5.4406 9.5500 128.1641 57.0083 43.5777 173.0623 73 S 4.8317 8.3785 118.7976 56.9923 66.7446 171.9248 74 F 5.0759 7.3873 115.6428 55.4085 40.8443 172.4878 75 E 4.6194 8.8001 122.4318 55.1059 30.1119 174.9024 76 S 4.9294 8.6773 121.4862 56.4707 67.4558 175.2573 77 G 4.2078 8.7420 113.6915 45.8410 0.0000 174.8216 78 R 4.6425 8.6092 117.9662 55.8876 30.5539 176.9419 79 R 4.2175 7.9651 114.7357 57.5784 30.6224 176.5683 80 C 4.3283 7.9771 114.3458 57.5772 30.1351 173.2511 81 Q 3.6696 8.0495 120.4677 60.0467 29.0858 178.5404 82 T 3.8880 7.6793 108.9426 65.5281 68.8109 173.0660 83 G 3.7947 7.5607 105.1810 42.6118 0.0000 172.7086 84 Q 4.8176 8.2126 119.9962 54.8001 29.3259 175.1689 85 G 3.9113 6.8688 112.9022 43.9452 0.0000 172.4123 86 I 3.8748 7.0475 123.1789 59.8044 39.1329 175.4333 87 F 4.5165 7.7390 121.1301 55.8251 42.5286 173.8682 88 A 4.9871 8.1005 124.9289 50.3917 22.2639 174.9464 89 F 4.9894 9.5618 117.0671 56.0686 44.3740 173.7130 90 K 5.0508 9.2556 121.6821 54.7606 34.0192 175.4640 91 C 5.0766 8.5941 123.8549 58.3622 35.4201 173.5224 92 S 4.6214 8.9436 112.6272 58.5394 63.6128 173.9971 93 R 4.7532 7.6679 118.5729 54.7836 30.9571 176.8529 94 A 3.9005 8.2646 122.4750 55.3362 18.7656 178.6847 95 E 3.7550 8.3783 117.1661 59.6160 29.6863 178.4427 96 E 3.7968 8.1816 117.8409 59.8830 29.4497 179.6062 97 I 3.1616 6.8080 119.3030 63.8424 37.0546 178.3540 98 F 4.3156 7.8283 121.7586 61.2302 39.0084 176.9478 99 N 3.6377 8.0869 115.1006 54.8826 38.4719 176.4191 100 L 4.1382 7.2310 121.1907 56.7954 42.4572 178.1653 101 L 3.7657 7.9088 119.7011 57.8951 41.3602 179.4934 102 Q 3.9385 7.5696 115.3930 58.3654 28.1155 177.6801 103 D 4.2383 8.0046 121.0399 56.8848 41.1362 177.7697 104 L 3.8058 7.3858 117.8559 57.0514 42.1970 178.7356 105 M 3.8920 7.6529 119.1951 58.2048 31.6736 178.6263 106 Q 3.9645 7.3276 116.0717 59.5310 28.7435 178.0116 107 C 4.0154 7.5261 119.0226 60.1669 32.2928 173.0374 108 N 4.0013 8.0912 117.3405 54.2922 36.2012 174.9954 109 S 3.8631 7.7348 113.1548 58.9349 63.0363 175.5448 110 I 4.0748 8.4059 127.7512 60.3803 36.5238 175.3724 111 N 4.3091 8.9415 123.8847 54.0235 36.3590 177.4785 112 V 3.5888 7.1000 120.7666 64.1171 31.5453 176.0296 113 M 4.7313 7.4773 115.5019 52.6887 33.5222 175.7179 114 E 4.0852 8.5571 119.9804 56.8091 28.3371 176.6363 115 E 4.2603 8.2778 123.2726 54.6963 30.5763 175.7988 116 P 4.5610 0.0000 0.0000 61.8758 32.6467 175.9217 117 V 3.7781 8.1429 118.0108 61.9345 31.9990 175.4686 118 I 4.6516 7.9459 123.6071 58.8249 40.6348 176.2430 119 I 3.6794 8.6759 117.2694 64.6208 37.3032 176.9789 120 T 3.8705 7.9519 114.4046 64.6004 67.4152 173.7407 121 R 3.9022 8.0858 116.7505 55.7635 29.7630 175.5736 122 N 4.2668 8.5740 118.2697 54.1994 39.0963 174.0777 123 S 4.5184 8.4645 118.7863 57.1753 65.6239 173.3763 124 H 4.0220 8.6749 115.6329 54.8243 28.4720 173.1267 125 P 4.3586 0.0000 0.0000 63.0963 31.8409 175.0235 126 A 4.5974 7.8987 121.6686 51.2187 22.0963 177.5500 127 E 4.2874 8.4958 119.0212 56.4583 26.9027 175.4240 128 L 4.6321 7.7153 123.2715 52.3126 44.2063 175.7370 129 D 4.5618 8.5130 125.1951 53.4305 39.7550 175.8152 130 L 4.7923 8.0015 119.3783 52.9689 42.9710 175.4126 131 P 4.5066 0.0000 0.0000 62.1979 32.5174 175.4657 132 R 4.2856 8.2458 115.1061 56.1361 30.5415 175.0227 133 A 4.6482 7.9251 119.3958 49.8336 21.9233 174.3233 134 P 4.4977 0.0000 0.0000 62.4785 32.3162 175.3223 135 Q 4.4304 8.2146 120.0512 53.7931 30.0787 173.3843 136 P 4.3657 0.0000 0.0000 61.8298 32.0104 174.9411 137 P 4.4940 0.0000 0.0000 62.3905 32.4531 174.3829 138 N 4.8105 8.4053 115.4007 51.4624 39.4856 173.2052 139 A 4.7612 8.1800 120.3716 50.1477 21.6465 175.3522 140 L 4.7302 8.1729 121.0300 52.8226 44.4734 178.3129 141 G 4.1092 8.4906 116.4012 45.7069 0.0000 171.5493 142 Y 4.8376 8.0767 117.1692 55.9018 40.7465 174.3577 143 T 4.0339 8.2785 115.7675 61.4413 68.4137 173.9638 144 V 4.1526 7.6716 124.7482 59.8210 33.1443 176.0158 145 S 4.4636 8.3180 117.5922 57.1955 63.6783 173.9887 146 S 4.3081 8.4603 116.7365 58.8911 62.5183 174.5556 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 G 8.35 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 2 S 8.19 4.29 0.00 3.84 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.17 4.32 0.00 3.95 3.78 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 4 G 8.03 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 0.00 0.00 0.00 5 S 8.27 4.81 0.00 3.82 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 6 S 8.38 4.75 0.00 3.78 3.69 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 7 G 8.45 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 8 L 7.59 4.65 0.00 1.62 1.59 0.91 1.10 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 9 N 8.63 4.55 0.00 2.68 2.74 0.00 0.00 7.02 7.66 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 10 R 8.26 4.61 0.00 1.74 1.79 0.00 3.36 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 11 D 8.71 4.61 0.00 2.76 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 12 S 7.78 4.48 0.00 3.96 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 13 V 8.47 3.45 1.95 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 0.66 0.00 0.00 0.74 0.00 0.00 14 P 0.00 4.44 0.00 2.43 2.09 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 15 D 8.46 4.70 0.00 2.65 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 16 N 7.60 5.07 0.00 2.79 2.83 0.00 0.00 6.08 7.90 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 17 H 7.98 4.13 0.00 3.11 3.01 0.00 5.67 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.41 0.00 2.13 2.08 0.00 3.05 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 19 T 7.47 4.40 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 1.20 0.00 0.00 20 K 6.77 4.87 0.00 1.45 1.61 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.43 7.81 21 F 8.55 4.53 0.00 2.92 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 22 K 8.90 4.38 0.00 1.88 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.69 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.51 7.81 23 V 9.12 4.71 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 1.04 0.00 0.00 1.05 0.00 0.00 24 T 8.77 4.93 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 N 8.95 4.28 0.00 2.90 2.74 0.00 0.00 5.19 7.91 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 26 V 8.02 5.37 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 0.59 0.00 0.00 0.86 0.00 0.00 27 D 8.12 4.78 0.00 2.74 2.74 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 28 D 8.75 4.31 0.00 2.57 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 29 E 8.30 3.97 0.00 2.12 1.98 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 2.28 2.52 0.00 30 G 8.52 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 31 V 7.96 3.72 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 0.62 0.00 0.00 1.00 0.00 0.00 32 E 8.46 4.61 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 33 L 8.59 4.41 0.00 1.54 1.71 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.78 4.43 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 0.00 35 S 8.69 5.02 0.00 3.95 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 36 G 9.07 4.80 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 37 V 8.39 4.84 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 1.10 0.00 0.00 0.97 0.00 0.00 38 M 8.75 4.97 0.00 2.31 1.91 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 39 E 8.76 4.75 0.00 2.09 1.82 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 2.25 2.30 0.00 40 L 8.49 4.98 0.00 1.62 1.67 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.07 4.67 4.29 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 1.36 0.00 0.00 42 Q 8.80 3.91 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 43 S 7.46 4.05 0.00 3.88 3.78 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 44 E 7.81 3.62 0.00 1.79 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 1.92 1.98 0.00 45 L 7.36 5.01 0.00 1.61 1.58 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.36 4.84 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 0.99 0.00 0.00 0.84 0.00 0.00 47 L 8.70 5.11 0.00 1.99 1.74 1.02 0.94 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 48 H 8.91 5.28 0.00 3.11 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.28 4.83 0.00 1.68 1.73 1.05 0.82 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 50 H 9.17 4.27 0.00 3.24 3.32 0.00 5.90 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.82 3.76 0.00 1.67 1.91 0.00 3.41 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 52 R 7.39 3.99 0.00 1.83 1.94 0.00 3.36 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 53 E 8.50 3.96 0.00 2.04 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 2.27 2.28 0.00 54 A 8.11 4.43 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 55 V 7.54 4.26 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 -0.30 0.00 0.00 0.84 0.00 0.00 56 R 7.31 4.83 0.00 1.38 1.70 0.00 3.04 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.00 57 W 9.11 5.03 0.00 2.99 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 58 P 0.00 4.48 0.00 2.22 2.15 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 59 Y 8.34 4.36 0.00 2.99 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 60 L 7.01 4.09 0.00 1.72 1.65 0.96 0.94 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 61 C 8.30 3.89 0.00 3.07 3.16 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 62 L 7.88 4.24 0.00 1.98 1.81 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.53 4.25 0.00 2.04 2.13 0.00 3.54 0.00 0.00 3.56 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 64 R 7.90 4.75 0.00 1.97 2.06 0.00 2.89 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 65 Y 8.51 4.90 0.00 3.21 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 66 G 7.86 4.55 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 67 Y 7.73 5.09 0.00 3.06 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 68 D 8.93 3.80 0.00 2.57 2.41 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 69 S 9.00 4.12 0.00 3.83 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 70 N 8.93 4.84 0.00 3.05 3.22 0.00 0.00 6.16 6.69 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 71 L 8.54 5.00 0.00 1.84 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 72 F 9.55 5.44 0.00 3.19 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 73 S 8.38 4.83 0.00 3.73 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.39 5.08 0.00 3.05 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 75 E 8.80 4.62 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 2.19 2.42 0.00 76 S 8.68 4.93 0.00 4.25 4.04 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 77 G 8.74 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 0.00 0.00 0.00 0.00 78 R 8.61 4.64 0.00 1.94 2.06 0.00 3.23 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 79 R 7.97 4.22 0.00 1.97 2.13 0.00 3.07 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 80 C 7.98 4.33 0.00 3.19 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 81 Q 8.05 3.67 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.04 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 82 T 7.68 3.89 4.52 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 1.20 0.00 0.00 83 G 7.56 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 84 Q 8.21 4.82 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 85 G 6.87 3.91 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 0.00 0.00 0.00 86 I 7.05 3.87 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.69 0.00 0.00 87 F 7.74 4.52 0.00 2.57 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 88 A 8.10 4.99 1.06 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 89 F 9.56 4.99 0.00 3.03 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 90 K 9.26 5.05 0.00 1.85 1.80 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.67 1.25 7.81 91 C 8.59 5.08 0.00 3.09 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 92 S 8.94 4.62 0.00 3.92 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 93 R 7.67 4.75 0.00 2.09 1.95 0.00 3.29 0.00 0.00 3.58 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 94 A 8.26 3.90 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 95 E 8.38 3.75 0.00 2.19 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 2.31 2.18 0.00 96 E 8.18 3.80 0.00 2.07 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 2.42 2.49 0.00 97 I 6.81 3.16 1.14 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 0.08 -0.36 0.23 0.00 0.00 98 F 7.83 4.32 0.00 3.11 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 99 N 8.09 3.64 0.00 2.44 2.56 0.00 0.00 6.77 7.67 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 0.00 100 L 7.23 4.14 0.00 1.73 1.46 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.91 3.77 0.00 1.94 1.46 1.27 1.10 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 0.00 102 Q 7.57 3.94 0.00 2.48 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 103 D 8.00 4.24 0.00 2.83 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 0.00 104 L 7.39 3.81 0.00 0.88 1.39 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.65 3.89 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 106 Q 7.33 3.96 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 107 C 7.53 4.02 0.00 3.13 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 0.00 108 N 8.09 4.00 0.00 2.81 2.85 0.00 0.00 6.99 6.92 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 0.00 109 S 7.73 3.86 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.41 4.07 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.92 0.00 0.00 111 N 8.94 4.31 0.00 2.82 2.82 0.00 0.00 6.76 7.68 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 0.00 112 V 7.10 3.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.93 0.00 0.00 113 M 7.48 4.73 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 114 E 8.56 4.09 0.00 1.98 1.98 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 2.31 2.33 0.00 115 E 8.28 4.26 0.00 1.95 1.86 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 2.30 2.29 0.00 116 P 0.00 4.56 0.00 2.16 2.09 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 117 V 8.14 3.78 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 0.73 0.00 0.00 0.92 0.00 0.00 118 I 7.95 4.65 1.86 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 1.66 0.92 0.92 0.00 0.00 119 I 8.68 3.68 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.90 0.00 0.00 120 T 7.95 3.87 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 1.26 0.00 0.00 121 R 8.09 3.90 0.00 1.89 1.96 0.00 3.12 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 122 N 8.57 4.27 0.00 2.68 2.78 0.00 0.00 6.84 7.63 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 0.00 123 S 8.46 4.52 0.00 3.88 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 0.00 124 H 8.67 4.02 0.00 3.27 3.40 0.00 5.53 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.36 0.00 2.22 2.10 0.00 3.83 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 0.00 126 A 7.90 4.60 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 0.00 127 E 8.50 4.29 0.00 1.98 1.95 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 2.32 2.31 0.00 128 L 7.72 4.63 0.00 1.59 1.54 0.92 1.29 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 0.00 129 D 8.51 4.56 0.00 2.82 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 0.00 130 L 8.00 4.79 0.00 1.72 1.67 0.93 0.66 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 0.00 131 P 0.00 4.51 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 132 R 8.25 4.29 0.00 1.96 2.02 0.00 3.03 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 133 A 7.93 4.65 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 0.00 134 P 0.00 4.50 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 135 Q 8.21 4.43 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 136 P 0.00 4.37 0.00 2.22 2.05 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 137 P 0.00 4.49 0.00 2.20 2.15 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 138 N 8.41 4.81 0.00 2.84 2.87 0.00 0.00 5.71 7.27 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 0.00 139 A 8.18 4.76 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 0.00 140 L 8.17 4.73 0.00 1.58 1.57 0.93 1.04 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 0.00 141 G 8.49 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.08 4.84 0.00 3.09 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 0.00 143 T 8.28 4.03 4.20 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 1.23 0.00 0.00 144 V 7.67 4.15 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 0.65 0.00 0.00 0.90 0.00 0.00 145 S 8.32 4.46 0.00 3.89 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 0.00 146 S 8.46 4.31 0.00 3.90 3.77 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