NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5922 0.0000 0.0000 62.6298 32.6723 174.6335 2 I 4.0327 8.1561 119.0149 60.0362 38.0746 170.5886 3 V 4.5284 8.2409 118.7277 59.7504 35.0945 175.3309 4 D 5.0965 8.4113 119.4439 53.0933 40.0393 175.1136 5 T 4.7401 7.4119 114.1362 63.5583 73.6494 176.7598 6 G 3.9049 8.8878 113.5444 46.6345 0.0000 176.2554 7 S 4.6348 8.3843 117.1656 56.7877 65.2059 172.7540 8 V 4.4639 7.8440 115.1821 58.9664 35.2548 175.7296 9 A 4.1413 8.4029 125.4331 51.3991 18.9038 175.9710 10 P 4.3825 0.0000 0.0000 62.4454 32.0432 176.5484 11 L 4.3415 8.1813 121.1672 54.5991 42.4321 177.7875 12 S 4.5491 9.4073 118.4942 57.3576 65.8517 175.1671 13 A 3.9297 8.6541 124.8489 55.5713 18.0896 180.1455 14 A 3.9364 7.9063 118.4260 55.3883 18.5453 179.5157 15 E 3.9382 8.0907 117.0096 59.5065 29.4781 179.5910 16 K 3.8962 8.2826 118.7149 60.0108 32.2849 179.4229 17 T 3.8892 7.8033 115.2384 66.5788 68.2670 176.8492 18 K 4.0325 8.0210 120.0126 59.4109 31.9795 179.4137 19 I 3.8379 8.0323 120.1077 64.6855 37.1289 178.4905 20 R 4.0637 8.2772 118.9699 59.5849 29.6562 179.4004 21 S 4.1298 7.8842 113.0683 61.7435 63.0604 176.3714 22 A 4.1175 8.0787 122.0626 54.6184 18.2928 179.3410 23 W 4.3743 8.9727 127.2290 61.0580 30.9629 178.5478 24 A 3.9807 8.2237 120.8350 54.5995 17.7897 177.7745 25 P 4.1223 0.0000 0.0000 65.5735 31.9039 178.6835 26 V 3.5451 7.5994 116.9815 66.2346 31.1837 177.5304 27 Y 3.9802 7.0786 117.1328 60.5278 38.7302 177.3845 28 S 4.2289 7.7732 115.6734 60.7668 63.7702 174.6900 29 T 4.5179 7.7182 112.2903 59.4424 68.6745 175.2827 30 Y 4.1618 7.6459 121.7117 60.9105 38.1875 177.1450 31 E 3.7875 7.2685 120.2961 59.8498 29.5417 179.1361 32 T 3.9654 7.6521 114.8131 66.5536 68.8042 176.6979 33 S 4.1933 8.0496 116.9986 61.9472 62.9645 177.0960 34 G 3.9123 8.3999 108.1676 48.1133 0.0000 175.5777 35 V 3.6277 7.4149 119.6676 65.6519 31.5487 177.6263 36 D 4.3626 8.1997 118.5172 57.5435 40.6484 178.6966 37 I 3.7511 7.8556 120.0140 64.6197 37.1340 178.2014 38 L 4.1117 8.1473 120.8515 58.2751 41.8491 179.1845 39 V 3.5677 8.2905 118.6602 65.6584 31.4769 177.8760 40 K 3.9289 8.6018 119.8376 59.4829 32.0041 178.2554 41 F 4.2214 8.5492 121.0665 61.4442 39.0797 176.8170 42 F 3.6371 8.2890 118.8599 61.4739 39.3160 176.9293 43 T 3.9368 8.0942 108.2962 64.0328 68.6040 175.4833 44 S 4.6254 7.6301 113.9953 57.8816 65.2863 174.6582 45 T 4.4798 6.9632 119.2872 60.0826 68.9667 172.1548 46 P 4.3369 0.0000 0.0000 64.8361 31.6125 177.5804 47 A 4.2309 8.0471 117.1927 54.7169 18.4675 178.2970 48 A 4.3479 7.4341 116.6149 52.3323 19.4941 178.7990 49 Q 4.0988 8.1895 118.3669 58.5686 28.5205 178.0048 50 E 4.1898 8.0933 115.5502 57.9063 29.7487 177.1872 51 F 4.3668 8.1927 117.5395 58.0575 39.6907 176.4165 52 F 4.4741 8.0549 121.1316 54.3192 38.3018 173.9760 53 P 4.2924 0.0000 0.0000 65.4718 31.5610 178.7570 54 K 4.2592 7.8751 114.9490 58.2357 32.3488 177.3527 55 F 4.9789 8.0747 117.4120 56.8719 39.2436 175.7280 56 K 4.2210 7.7326 121.3037 58.1753 32.2162 175.8411 57 G 4.1042 9.1808 111.1876 45.6784 0.0000 173.5954 58 L 4.2944 7.8309 120.1991 54.3886 41.7543 175.9475 59 T 4.5285 8.5325 113.3779 63.0900 70.7907 175.1099 60 T 4.1270 7.6022 111.4562 60.6882 69.9847 174.9599 61 A 4.1862 8.4166 123.9069 53.7368 18.2369 179.4599 62 D 4.3058 7.7797 116.2620 57.0880 41.8281 177.7085 63 Q 4.0829 8.2131 118.7029 58.9967 28.7677 178.4626 64 L 3.6598 7.3975 119.9567 58.0610 41.5740 179.8785 65 K 4.0420 7.3759 114.4579 58.1674 32.0316 178.2675 66 K 4.3681 7.8652 117.7256 55.6127 33.6139 176.8273 67 S 4.3051 7.5553 115.1101 57.6556 63.8713 174.6301 68 A 4.1347 8.5932 130.4068 55.0313 18.3007 179.4492 69 D 4.5659 7.9749 118.1657 57.4432 40.8159 179.0489 70 V 3.5916 7.6723 118.4062 65.9100 31.5661 178.1260 71 R 3.9841 7.9180 117.4722 59.0282 29.9606 178.7621 72 W 4.7853 8.5059 128.0932 61.0862 30.6068 177.3916 73 H 3.9314 8.5357 117.8430 59.2935 29.3156 177.0926 74 A 4.1745 8.6224 122.9360 55.1476 18.1178 179.5059 75 E 4.2173 8.8059 117.6903 59.4698 29.2882 179.8617 76 R 3.7187 7.5494 117.5864 59.1211 30.3834 178.6225 77 I 3.8258 7.4690 119.5373 64.7240 37.2204 178.2565 78 I 3.9550 7.8899 120.3152 64.9944 36.9877 178.0599 79 N 4.5123 8.1397 116.6835 55.6253 38.5887 177.4098 80 A 3.9664 7.8905 122.6228 54.9898 18.3459 179.8812 81 V 3.3193 7.6612 116.2643 66.1243 31.7364 177.5159 82 N 4.0885 8.1007 116.7109 56.8169 38.4065 176.5031 83 D 4.2384 8.1503 119.7501 57.0193 41.1753 178.2788 84 A 3.9621 7.5616 120.8263 55.2340 18.1115 179.5281 85 V 3.2879 7.5852 116.6446 66.3553 31.1891 177.9624 86 A 4.0796 7.7571 118.4442 53.9413 18.5615 178.6001 87 S 4.5412 8.1636 112.7908 58.5534 63.1418 175.5717 88 M 4.1451 7.4188 122.6172 58.6037 31.7244 177.7033 89 D 4.6610 7.9835 116.9239 54.5853 42.8566 176.0902 90 D 4.8089 8.0789 120.2923 51.6199 40.7809 175.7266 91 T 3.8417 7.9950 117.7249 64.6219 67.3535 174.6621 92 E 3.8883 8.1629 120.0757 59.2769 29.7257 178.9646 93 K 3.8887 7.9070 119.5478 59.7297 32.4221 178.2189 94 M 3.9282 7.9149 118.4432 58.9210 31.9574 178.3459 95 S 4.0208 7.8763 114.4691 61.8018 63.2030 176.1414 96 M 3.9383 7.6575 121.3553 58.6737 31.7950 178.9106 97 K 3.8725 7.8266 117.6724 59.7285 32.2939 179.4235 98 L 3.9345 7.7566 118.5684 57.8827 41.6407 179.8347 99 R 3.9577 8.6213 118.3750 59.1720 29.9890 178.6909 100 D 4.2480 7.9837 117.6310 57.2402 41.3727 178.0558 101 L 3.9955 7.8407 120.9316 57.9626 42.0383 178.8579 102 S 4.1737 8.6389 113.7179 61.2633 62.3025 176.2193 103 G 3.5742 7.8492 108.0996 47.9190 0.0000 175.6008 104 K 3.5476 7.7871 120.9620 59.3200 32.0099 179.2144 105 H 4.3849 8.1282 115.6972 58.7800 28.4663 177.7726 106 A 3.5519 7.6513 121.6254 54.4835 18.2200 179.1682 107 K 4.0825 7.9786 115.7819 57.6552 32.6560 177.9713 108 S 4.4643 7.3204 112.9049 60.1683 64.0770 175.5034 109 F 4.6384 7.3969 116.7605 58.2214 39.2058 175.5836 110 Q 3.5230 7.9890 118.1629 56.8203 26.1344 174.0087 111 V 4.0997 7.7593 109.2531 59.9178 33.1078 176.3848 112 D 4.2190 7.1158 123.1389 53.5537 41.5853 175.2665 113 P 3.1113 0.0000 0.0000 64.0103 31.3279 178.0117 114 Q 3.8085 7.4979 117.1711 58.6111 28.8553 177.1905 115 Y 4.3539 6.9818 115.4889 58.8151 38.0872 177.2314 116 F 4.4882 7.1781 119.3941 60.7089 39.1342 177.5984 117 K 4.1104 8.0711 117.5270 59.5188 32.2326 179.3523 118 V 3.6527 7.6524 119.4223 65.9855 31.6517 177.6284 119 L 3.8084 8.1359 119.9983 57.8203 41.8017 178.6793 120 A 4.0378 8.1975 120.6526 54.8702 18.1558 179.4958 121 A 4.0081 7.9438 119.5668 55.3854 18.4658 180.0709 122 V 3.6673 7.6315 115.5254 66.1059 31.5252 178.3367 123 I 3.8576 7.9873 119.4925 64.3504 36.9058 178.3108 124 A 4.4894 8.4022 121.6376 55.4942 18.1125 179.2441 125 D 4.3035 8.4476 115.6096 57.4548 41.2654 178.1639 126 T 4.1975 7.7841 115.5930 66.1579 68.8943 176.9129 127 V 3.7583 8.0228 119.1146 65.1590 33.1337 176.5764 128 A 4.3860 8.1118 117.9712 50.4211 20.7273 175.4470 129 A 4.1181 7.8896 123.5176 54.0164 19.1682 176.5265 130 G 4.1784 9.1517 111.3092 46.2019 0.0000 174.3021 131 D 4.3924 8.3243 119.5834 54.3517 42.3503 176.9681 132 A 4.2657 8.7853 128.9314 54.8843 18.4691 179.6410 133 G 3.6007 8.0992 104.1332 48.0208 0.0000 175.5925 134 F 4.1281 8.5761 122.9021 60.8253 39.3665 177.1934 135 E 4.0272 7.9463 117.4191 58.8476 29.0834 179.4528 136 K 3.8448 7.7454 118.3487 59.2418 32.0868 178.7205 137 L 3.7274 7.2675 120.4511 58.7489 41.8364 179.0022 138 M 3.7718 7.4494 118.0765 58.4154 31.7826 179.1132 139 S 4.4758 7.7239 116.7030 61.1690 62.9751 176.5094 140 M 3.9684 8.2272 121.7595 58.4261 31.6918 178.8146 141 I 3.5517 7.7748 120.0551 64.5784 37.0285 178.3664 142 C 4.0176 7.9063 116.3261 62.8133 27.9680 175.7856 143 I 4.0896 8.0544 123.0704 63.9170 36.7020 178.5480 144 L 3.9933 8.0346 119.7677 57.5797 41.2641 179.2332 145 L 3.9668 7.8036 117.4054 56.4374 41.7810 178.4427 146 R 4.7610 7.6075 117.1662 56.1998 30.5814 178.0580 147 S 4.1428 7.8362 113.4667 61.1550 62.9533 175.7315 148 A 4.1412 8.2212 123.0565 54.2772 18.6290 176.8004 149 Y 4.1849 8.0453 117.8259 58.4239 37.9088 175.4295 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 P 0.00 4.59 0.00 2.20 2.18 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 2 I 8.16 4.03 1.88 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 1.40 0.71 0.89 0.00 0.00 3 V 8.24 4.53 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.90 0.00 0.00 4 D 8.41 5.10 0.00 2.77 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 5 T 7.41 4.74 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 1.20 0.00 0.00 6 G 8.89 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 0.00 0.00 0.00 7 S 8.38 4.63 0.00 3.77 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 8 V 7.84 4.46 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.88 0.00 0.00 9 A 8.40 4.14 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 10 P 0.00 4.38 0.00 2.03 1.98 0.00 3.66 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 2.01 2.09 0.00 11 L 8.18 4.34 0.00 1.60 1.57 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.41 4.55 0.00 3.99 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 13 A 8.65 3.93 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 14 A 7.91 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 15 E 8.09 3.94 0.00 2.19 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 2.35 2.36 0.00 16 K 8.28 3.90 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.70 7.81 17 T 7.80 3.89 4.42 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 1.23 0.00 0.00 18 K 8.02 4.03 0.00 2.04 1.90 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.76 7.81 19 I 8.03 3.84 2.12 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 1.78 1.05 1.04 0.00 0.00 20 R 8.28 4.06 0.00 2.03 2.08 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.99 0.00 21 S 7.88 4.13 0.00 4.08 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 22 A 8.08 4.12 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 23 W 8.97 4.37 0.00 3.54 3.31 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 24 A 8.22 3.98 1.45 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 0.00 0.00 25 P 0.00 4.12 0.00 1.98 2.09 0.00 3.86 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 2.01 2.13 0.00 26 V 7.60 3.55 1.58 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 0.65 0.00 0.00 0.86 0.00 0.00 27 Y 7.08 3.98 0.00 2.17 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 28 S 7.77 4.23 0.00 4.03 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 29 T 7.72 4.52 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 1.11 0.00 0.00 30 Y 7.65 4.16 0.00 3.19 3.18 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 0.00 31 E 7.27 3.79 0.00 1.79 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 1.73 2.00 0.00 32 T 7.65 3.97 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 1.22 0.00 0.00 33 S 8.05 4.19 0.00 3.88 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 34 G 8.40 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 35 V 7.41 3.63 2.20 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 1.05 0.00 0.00 0.99 0.00 0.00 36 D 8.20 4.36 0.00 2.91 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 37 I 7.86 3.75 2.12 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 1.50 0.94 1.03 0.00 0.00 38 L 8.15 4.11 0.00 1.87 1.85 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.29 3.57 2.25 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 1.01 0.00 0.00 0.92 0.00 0.00 40 K 8.60 3.93 0.00 2.06 2.06 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 41 F 8.55 4.22 0.00 3.24 3.40 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 42 F 8.29 3.64 0.00 2.98 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 43 T 8.09 3.94 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 1.34 0.00 0.00 44 S 7.63 4.63 0.00 4.05 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 45 T 6.96 4.48 3.54 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 1.24 0.00 0.00 46 P 0.00 4.34 0.00 2.06 1.99 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 47 A 8.05 4.23 1.46 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 0.00 0.00 48 A 7.43 4.35 0.24 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 49 Q 8.19 4.10 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 50 E 8.09 4.19 0.00 1.84 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 2.17 1.68 0.00 51 F 8.19 4.37 0.00 3.11 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 52 F 8.05 4.47 0.00 3.13 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 0.00 0.00 0.00 0.00 53 P 0.00 4.29 0.00 2.16 2.12 0.00 3.49 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 54 K 7.88 4.26 0.00 1.72 1.99 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.43 7.81 55 F 8.07 4.98 0.00 3.08 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 56 K 7.73 4.22 0.00 1.92 1.83 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 57 G 9.18 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 0.00 0.00 0.00 58 L 7.83 4.29 0.00 1.73 1.53 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.53 4.53 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 1.25 0.00 0.00 60 T 7.60 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 61 A 8.42 4.19 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 62 D 7.78 4.31 0.00 2.67 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 63 Q 8.21 4.08 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 64 L 7.40 3.66 0.00 1.48 1.42 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.38 4.04 0.00 1.77 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.75 7.81 66 K 7.87 4.37 0.00 1.80 1.81 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.55 7.81 67 S 7.56 4.31 0.00 3.79 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.59 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 69 D 7.97 4.57 0.00 2.91 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 70 V 7.67 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 -0.26 0.00 0.00 71 R 7.92 3.98 0.00 2.18 2.32 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 72 W 8.51 4.79 0.00 3.46 3.18 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 0.00 73 H 8.54 3.93 0.00 3.78 3.71 0.00 5.65 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 74 A 8.62 4.17 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 75 E 8.81 4.22 0.00 2.48 2.32 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 2.70 2.61 0.00 76 R 7.55 3.72 0.00 1.55 1.70 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 0.00 77 I 7.47 3.83 1.97 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 1.63 0.99 0.97 0.00 0.00 78 I 7.89 3.95 2.27 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.37 1.21 0.00 0.00 79 N 8.14 4.51 0.00 2.86 2.83 0.00 0.00 6.85 7.64 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 80 A 7.89 3.97 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 81 V 7.66 3.32 2.32 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 0.51 0.00 0.00 0.95 0.00 0.00 82 N 8.10 4.09 0.00 3.05 2.80 0.00 0.00 7.28 8.50 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 83 D 8.15 4.24 0.00 2.80 2.64 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 84 A 7.56 3.96 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 85 V 7.59 3.29 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 0.84 0.00 0.00 0.04 0.00 0.00 86 A 7.76 4.08 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 87 S 8.16 4.54 0.00 3.83 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 88 M 7.42 4.15 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 89 D 7.98 4.66 0.00 2.62 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 90 D 8.08 4.81 0.00 2.59 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 91 T 8.00 3.84 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 1.18 0.00 0.00 92 E 8.16 3.89 0.00 2.26 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 2.38 2.29 0.00 93 K 7.91 3.89 0.00 1.91 1.88 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 94 M 7.91 3.93 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 95 S 7.88 4.02 0.00 4.06 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 96 M 7.66 3.94 0.00 1.97 2.22 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 2.80 2.59 0.00 97 K 7.83 3.87 0.00 1.89 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.59 7.81 98 L 7.76 3.93 0.00 1.64 1.60 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.62 3.96 0.00 1.77 1.95 0.00 3.09 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 100 D 7.98 4.25 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.84 4.00 0.00 1.94 1.79 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.64 4.17 0.00 4.04 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 0.00 103 G 7.85 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 0.00 104 K 7.79 3.55 0.00 1.85 1.14 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.28 1.55 7.81 105 H 8.13 4.38 0.00 3.71 3.87 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 0.00 106 A 7.65 3.55 0.15 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 0.00 107 K 7.98 4.08 0.00 1.59 1.75 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.41 7.81 108 S 7.32 4.46 0.00 3.06 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 0.00 109 F 7.40 4.64 0.00 3.21 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 0.00 110 Q 7.99 3.52 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 111 V 7.76 4.10 1.85 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 0.79 0.00 0.00 1.13 0.00 0.00 112 D 7.12 4.22 0.00 2.37 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 0.00 0.00 0.00 0.00 113 P 0.00 3.11 0.00 1.66 0.49 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.45 0.00 114 Q 7.50 3.81 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 115 Y 6.98 4.35 0.00 3.03 3.30 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 0.00 116 F 7.18 4.49 0.00 3.12 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.07 4.11 0.00 1.99 2.08 0.00 1.49 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.48 7.81 118 V 7.65 3.65 2.62 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 1.40 0.00 0.00 1.08 0.00 0.00 119 L 8.14 3.81 0.00 0.46 1.43 0.70 0.84 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 0.00 120 A 8.20 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.94 4.01 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 0.00 122 V 7.63 3.67 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.18 0.00 0.00 123 I 7.99 3.86 2.17 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 1.61 0.79 1.24 0.00 0.00 124 A 8.40 4.49 1.61 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 0.00 0.00 125 D 8.45 4.30 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 7.78 4.20 4.48 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 1.24 0.00 0.00 127 V 8.02 3.76 1.80 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 0.62 0.00 0.00 1.27 0.00 0.00 128 A 8.11 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.89 4.12 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 G 9.15 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 0.00 0.00 0.00 0.00 131 D 8.32 4.39 0.00 2.84 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 0.00 132 A 8.79 4.27 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 0.00 133 G 8.10 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 0.00 134 F 8.58 4.13 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.95 4.03 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 136 K 7.75 3.84 0.00 2.00 1.79 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.55 7.81 137 L 7.27 3.73 0.00 1.37 1.20 0.54 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 138 M 7.45 3.77 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.19 0.00 139 S 7.72 4.48 0.00 4.00 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 0.00 140 M 8.23 3.97 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 141 I 7.77 3.55 1.84 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.73 0.00 0.00 142 C 7.91 4.02 0.00 3.19 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 0.00 143 I 8.05 4.09 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.88 0.00 0.00 144 L 8.03 3.99 0.00 1.79 1.63 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.80 3.97 0.00 1.08 0.42 0.24 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.61 4.76 0.00 2.02 2.00 0.00 3.35 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 147 S 7.84 4.14 0.00 4.00 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 0.00 148 A 8.22 4.14 1.17 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 0.00 149 Y 8.05 4.18 0.00 3.15 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