NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3830 8.3044 120.3472 54.7525 33.6338 174.4973 2 E 3.9577 8.5277 123.6418 55.8946 30.5996 173.9111 3 K 5.1645 8.8715 125.9728 54.7642 35.4258 174.9268 4 S 4.8058 8.9945 117.5162 56.5191 66.8454 172.2219 5 F 5.3606 8.9953 127.4576 57.0452 40.9092 174.3654 6 I 4.3254 8.1509 127.1728 59.4745 40.2119 174.3465 7 M 4.7210 8.1889 126.0892 53.4464 35.3832 174.1727 8 I 4.4162 8.3463 127.9525 60.7698 38.3408 176.2712 9 K 4.3503 9.3535 127.8165 55.4515 33.1574 176.6419 10 P 4.9503 0.0000 0.0000 65.4210 30.7067 178.7600 11 D 4.5537 7.9790 117.6311 56.1875 39.2129 178.9354 12 G 3.5783 8.0149 107.5218 47.7753 0.0000 175.9566 13 V 3.6395 7.7031 120.3246 65.5966 31.3991 177.9975 14 Q 4.0528 8.0862 117.3218 58.7381 28.6786 178.0573 15 R 4.3077 7.6927 115.4710 55.0271 31.1511 176.3861 16 G 3.8458 7.6527 106.2480 47.3348 0.0000 174.9171 17 L 4.4328 7.8387 115.4338 54.1191 42.5379 178.3654 18 V 3.6608 7.6205 120.0535 66.0398 31.5778 177.7463 19 G 3.7539 8.1129 104.7423 48.3299 0.0000 174.9317 20 T 3.9296 7.9874 118.3631 66.3766 68.5319 176.2047 21 I 3.8257 8.0719 121.3804 64.5524 37.1975 178.4064 22 I 3.8864 7.9667 120.3891 64.5452 36.9801 178.0794 23 K 3.9346 8.6941 120.6209 60.1046 31.8836 178.6324 24 R 3.8645 7.9139 117.5587 59.2944 29.4075 179.1129 25 F 3.8777 7.9630 117.0950 60.0427 38.6901 177.7452 26 E 4.3077 8.7374 118.7462 59.6731 29.1883 179.6762 27 K 4.0514 8.1209 116.7304 58.7675 32.1591 178.9143 28 K 4.0271 7.4080 117.6398 57.5235 32.0406 177.4666 29 G 3.8981 8.0820 106.9626 45.7462 0.0000 172.8358 30 Y 5.0724 7.2708 115.6467 56.8025 40.0381 175.2304 31 K 4.7077 9.1934 122.6445 54.5962 34.1567 174.8993 32 L 3.4115 8.6210 131.0006 54.6629 42.0079 176.2478 33 I 4.7445 8.2984 118.2149 60.7751 40.2888 175.0024 34 A 4.7697 7.2581 123.4674 50.7731 22.3945 174.8750 35 I 5.2950 8.1965 120.7602 59.8328 41.3286 173.9208 36 K 4.6741 9.2700 126.3767 56.1072 36.1898 173.8338 37 M 5.2137 8.5680 122.4184 53.9810 33.9222 174.7358 38 L 4.6205 8.6147 124.5376 54.7803 44.6615 174.6216 39 N 4.9489 8.6199 118.5797 51.0775 39.0366 173.1014 40 P 4.3437 0.0000 0.0000 62.4676 32.3648 176.7684 41 T 4.2548 8.2119 113.6306 61.1813 71.0356 175.2489 42 E 3.8666 8.7627 122.6081 60.0427 29.1143 179.4278 43 E 3.8700 8.1262 117.5626 59.6880 29.5207 179.3328 44 I 3.3407 7.3829 118.6462 64.4426 37.2189 178.5407 45 L 4.1882 7.7433 119.3560 57.4831 41.1216 179.7724 46 K 4.1914 7.9990 118.2686 59.2716 32.0634 178.9095 47 E 4.1421 7.6680 117.8228 59.5264 29.5470 178.3369 48 H 4.2735 8.4106 117.6972 58.4306 30.2813 176.0975 49 Y 5.0684 8.0066 118.5599 57.6990 39.1297 178.1143 50 K 4.1349 8.1831 122.8252 59.5909 32.3640 176.9393 51 E 4.0888 8.2387 118.6346 58.3060 29.8332 176.5820 52 L 4.5254 7.2396 117.9853 54.7584 41.9362 177.8706 53 S 3.1710 7.0743 115.5774 60.1650 63.2993 174.3423 54 D 4.7319 7.4964 120.5722 53.5491 40.8319 175.7378 55 Q 4.5652 7.3850 117.9410 53.5477 32.7336 172.1785 56 P 4.4477 0.0000 0.0000 65.5676 31.4073 177.1482 57 F 4.7747 8.1167 119.7411 55.9666 38.1295 174.6861 58 F 5.0428 8.3400 126.8752 59.0454 41.6217 177.5477 59 K 3.8589 8.0085 118.5189 58.7856 32.2625 177.6146 60 N 4.5015 7.7944 115.7057 55.1460 39.0566 177.1576 61 L 4.0250 7.9532 119.4831 58.2179 40.8065 178.7832 62 V 3.8944 7.5687 109.9101 62.5535 31.1206 177.1682 63 A 4.6877 7.2589 119.2984 52.8290 20.6566 178.1738 64 Y 4.3529 8.1729 118.4732 61.1974 38.8172 177.8768 65 I 3.3441 7.6187 118.8680 64.2136 37.3304 177.9480 66 S 4.6786 7.3527 114.0679 61.0648 62.1484 175.0562 67 K 4.2633 7.9845 122.6690 57.3678 32.1275 177.8256 68 G 3.8235 7.3270 109.4064 44.8075 0.0000 170.4507 69 P 4.6507 0.0000 0.0000 62.3698 33.3072 175.3913 70 V 4.7836 8.2898 120.1075 61.2615 35.6091 174.3583 71 V 4.3373 8.3891 127.1993 61.2354 33.0220 174.1384 72 A 4.6309 8.8736 131.2557 51.5418 20.3160 175.8914 73 M 5.4179 8.8446 119.8068 53.7533 37.4457 174.2574 74 V 4.9391 8.4785 120.7249 60.9792 34.6741 174.3733 75 W 5.1762 8.9871 126.9918 54.8057 32.6381 174.1673 76 E 5.0732 10.6578 123.8623 53.8038 32.4279 175.0797 77 G 4.8824 8.2579 115.1905 43.7424 0.0000 172.9065 78 V 3.6204 8.1235 120.6693 63.0271 32.1543 175.7585 79 D 4.3816 8.9028 122.9760 55.4105 39.9405 174.9456 80 M 3.6703 8.0747 118.9557 58.4762 32.6116 176.6862 81 V 3.5689 7.8499 117.9858 66.0212 31.7068 177.9649 82 K 3.9820 7.9691 118.8003 59.6779 32.0854 178.6809 83 Q 4.1344 8.2425 118.3929 58.6472 28.6350 178.8625 84 G 3.6737 8.2603 106.9340 47.9137 0.0000 175.8785 85 R 3.9648 8.0017 120.8837 58.8617 29.8614 179.1186 86 K 3.9575 7.9546 118.3770 59.5563 32.5402 178.6756 87 L 3.9907 8.2243 119.5744 57.3353 41.3974 179.6517 88 I 3.8038 7.6642 120.1100 64.5734 37.2985 175.5239 89 G 3.8484 8.2732 102.6899 43.9045 0.0000 172.6511 90 E 4.1982 8.3411 117.9754 56.4290 30.0548 177.8898 91 T 3.9101 8.5056 116.9212 66.5525 68.8158 174.6555 92 N 4.6580 7.9793 121.6536 51.7628 38.8838 173.5630 93 P 5.0630 0.0000 0.0000 63.9407 31.7459 177.7472 94 L 4.1756 8.1030 118.4723 57.2098 41.8012 177.7913 95 T 4.3164 7.5639 106.0692 61.7004 69.7365 175.0950 96 S 4.3683 7.6977 118.4010 57.6762 63.7828 173.5835 97 N 4.7021 8.4884 120.8780 53.1122 39.0736 174.7725 98 T 3.8706 8.0634 111.3660 62.8808 69.5928 173.5424 99 G 4.0353 8.8508 112.2278 46.2359 0.0000 175.1667 100 T 4.3212 7.3502 109.0740 60.6922 71.1662 175.6658 101 I 3.7041 8.1588 123.0877 65.0787 37.2568 179.1741 102 R 4.1423 8.2337 118.6875 58.9786 29.7014 178.8932 103 G 3.7644 7.7139 103.6032 46.2082 0.0000 174.5632 104 D 4.4214 7.5133 119.7340 54.7598 41.6560 177.0395 105 F 5.1646 7.9953 114.9094 56.8852 41.2748 174.6717 106 C 5.0943 7.9989 117.0104 57.8721 31.0244 173.4904 107 L 4.6235 8.5337 119.4498 55.0374 44.1976 176.8501 108 E 4.7513 7.7762 117.8042 54.0116 32.0671 176.9236 109 V 3.9292 8.3510 118.0430 63.9256 31.9864 177.6265 110 S 4.3085 8.1228 113.8383 60.2652 62.6185 174.0227 111 K 4.7372 7.8093 119.2792 54.1104 31.7092 175.5378 112 N 5.0090 8.0566 120.4064 52.4049 38.4911 178.9907 113 V 3.3224 8.5618 114.8773 62.9287 31.7660 172.7834 114 I 5.1540 8.7980 117.2605 59.4743 41.4512 173.9569 115 H 5.0248 9.4322 127.3338 54.3826 32.3302 173.2800 116 G 4.4684 8.1120 110.5990 44.0538 0.0000 172.4851 117 S 4.7174 8.2275 118.0120 58.6195 62.9117 174.4782 118 D 4.6063 8.9147 123.0059 55.0305 40.2906 176.9065 119 S 4.7294 7.6006 113.1147 55.4356 67.5012 174.7116 120 V 3.5687 8.4352 121.3701 66.3139 30.8550 178.0786 121 A 4.0338 7.9540 119.9057 55.2790 18.3062 179.6408 122 S 4.1222 8.3801 113.5693 61.4632 62.8273 176.7366 123 A 4.1040 8.2603 123.7315 55.5079 18.1278 179.4213 124 N 4.3681 8.1872 114.8895 56.2391 38.4265 177.6959 125 K 3.9721 7.8394 120.6547 59.5752 32.4903 178.7622 126 E 3.9989 8.3476 118.8671 59.4744 29.3041 179.3752 127 I 3.8579 8.2292 120.1931 64.6870 36.9915 178.2983 128 N 4.3607 7.7440 116.1298 56.2426 38.3884 177.0011 129 I 3.7370 7.3759 119.2100 63.3451 38.1251 177.3925 130 W 4.0673 7.8018 118.4995 57.0425 29.4951 176.5267 131 F 5.1035 7.8890 115.6057 55.3981 42.0403 174.8188 132 K 4.4493 9.5439 122.4255 55.1469 32.9985 178.1679 133 A 4.0779 8.6325 124.4959 55.2863 18.5169 179.9922 134 E 4.1114 8.1792 112.6593 59.2832 29.8137 178.2262 135 E 4.0616 8.0914 118.8504 58.9157 29.7021 176.5771 136 L 4.0394 7.4469 117.8812 55.2487 41.8936 177.1186 137 T 4.4176 8.6792 116.0593 60.6017 70.1803 174.1627 138 Q 4.6200 8.7241 127.4585 54.7010 29.9206 174.6793 139 W 5.2232 8.3363 122.1496 54.7520 31.1588 174.0275 140 K 3.9961 8.6827 121.7493 55.6448 32.1120 175.8172 141 H 4.4757 8.2052 127.0562 55.6212 30.0206 175.0620 142 H 4.2639 9.3377 127.6595 59.6105 30.0399 175.9165 143 M 4.4014 7.9249 116.9094 56.3234 32.4493 177.9038 144 K 3.8966 7.7349 120.0486 59.1547 31.9294 178.0910 145 E 3.7923 8.1741 118.0367 58.7810 29.4044 178.2741 146 W 4.7156 7.9921 115.4047 56.3874 29.5886 176.5768 147 I 4.3454 7.6147 112.4645 60.9450 39.0712 174.5863 148 C 4.8486 7.7982 117.0725 57.0142 31.1558 173.7954 149 S 4.1989 8.5292 113.8174 59.0471 61.8746 173.7196 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 M 8.30 4.38 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 2 E 8.53 3.96 0.00 2.20 2.01 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 2.39 2.42 0.00 3 K 8.87 5.16 0.00 1.66 1.70 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.39 7.81 4 S 8.99 4.81 0.00 3.86 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 5 F 9.00 5.36 0.00 3.26 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.15 4.33 1.69 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 0.68 0.61 0.48 0.00 0.00 7 M 8.19 4.72 0.00 1.57 0.73 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.17 0.00 8 I 8.35 4.42 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.48 0.95 0.00 0.00 9 K 9.35 4.35 0.00 1.86 1.77 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.44 7.81 10 P 0.00 4.95 0.00 2.01 2.00 0.00 3.67 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 1.44 1.91 0.00 11 D 7.98 4.55 0.00 2.80 3.11 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 12 G 8.01 3.58 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 0.00 0.00 0.00 13 V 7.70 3.64 2.15 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 1.05 0.00 0.00 1.02 0.00 0.00 14 Q 8.09 4.05 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 15 R 7.69 4.31 0.00 1.79 1.90 0.00 3.34 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 16 G 7.65 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 0.00 0.00 0.00 17 L 7.84 4.43 0.00 1.70 1.47 0.72 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.62 3.66 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 1.07 0.00 0.00 0.92 0.00 0.00 19 G 8.11 3.75 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 0.00 0.00 0.00 20 T 7.99 3.93 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 1.25 0.00 0.00 21 I 8.07 3.83 2.15 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 1.65 1.03 1.08 0.00 0.00 22 I 7.97 3.89 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.84 1.36 0.00 0.00 23 K 8.69 3.93 0.00 2.01 1.90 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.58 7.81 24 R 7.91 3.86 0.00 2.10 1.73 0.00 3.15 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 1.65 1.93 0.00 25 F 7.96 3.88 0.00 2.38 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 26 E 8.74 4.31 0.00 2.25 2.19 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 2.81 2.83 0.00 27 K 8.12 4.05 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.64 7.81 28 K 7.41 4.03 0.00 1.75 1.85 0.00 1.50 0.00 0.00 1.56 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 0.95 7.81 29 G 8.08 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 30 Y 7.27 5.07 0.00 3.32 3.26 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 31 K 9.19 4.71 0.00 1.89 1.91 0.00 0.90 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.16 7.81 32 L 8.62 3.41 0.00 0.27 1.06 0.19 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.30 4.74 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.98 0.98 0.00 0.00 34 A 7.26 4.77 0.57 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 35 I 8.20 5.30 1.76 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 1.41 0.94 0.84 0.00 0.00 36 K 9.27 4.67 0.00 1.87 1.98 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.61 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.11 1.34 7.81 37 M 8.57 5.21 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 38 L 8.61 4.62 0.00 1.77 1.71 1.10 0.63 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 39 N 8.62 4.95 0.00 2.62 2.84 0.00 0.00 6.98 8.02 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 40 P 0.00 4.34 0.00 2.32 2.26 0.00 3.82 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 41 T 8.21 4.25 4.16 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 1.16 0.00 0.00 42 E 8.76 3.87 0.00 1.94 2.01 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 2.37 2.34 0.00 43 E 8.13 3.87 0.00 1.91 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 2.34 2.36 0.00 44 I 7.38 3.34 1.41 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.29 -0.81 0.00 0.00 45 L 7.74 4.19 0.00 1.83 1.88 1.10 1.03 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 46 K 8.00 4.19 0.00 1.95 1.92 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.48 7.81 47 E 7.67 4.14 0.00 1.91 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 2.30 2.28 0.00 48 H 8.41 4.27 0.00 2.98 3.24 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.01 5.07 0.00 3.59 3.27 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 50 K 8.18 4.13 0.00 2.05 1.84 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.55 7.81 51 E 8.24 4.09 0.00 2.00 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 2.30 2.33 0.00 52 L 7.24 4.53 0.00 1.61 1.40 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.07 3.17 0.00 3.76 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 54 D 7.50 4.73 0.00 2.55 2.57 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 55 Q 7.38 4.57 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 56 P 0.00 4.45 0.00 2.17 2.22 0.00 3.76 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 2.05 2.17 0.00 57 F 8.12 4.77 0.00 2.94 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 58 F 8.34 5.04 0.00 3.10 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 59 K 8.01 3.86 0.00 1.60 1.72 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.35 7.81 60 N 7.79 4.50 0.00 2.63 2.82 0.00 0.00 6.81 6.74 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 61 L 7.95 4.03 0.00 1.79 1.82 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.57 3.89 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 0.24 0.00 0.00 0.81 0.00 0.00 63 A 7.26 4.69 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 64 Y 8.17 4.35 0.00 3.03 3.01 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 65 I 7.62 3.34 1.98 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 1.01 0.00 0.00 66 S 7.35 4.68 0.00 4.23 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 67 K 7.98 4.26 0.00 2.04 1.80 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.63 7.81 68 G 7.33 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 69 P 0.00 4.65 0.00 2.11 2.17 0.00 3.62 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 2.05 1.95 0.00 70 V 8.29 4.78 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 0.76 0.00 0.00 0.90 0.00 0.00 71 V 8.39 4.34 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 0.89 0.00 0.00 0.92 0.00 0.00 72 A 8.87 4.63 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 73 M 8.84 5.42 0.00 1.83 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 74 V 8.48 4.94 1.69 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 0.97 0.00 0.00 0.58 0.00 0.00 75 W 8.99 5.18 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 10.66 5.07 0.00 1.95 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 2.18 2.20 0.00 77 G 8.26 4.88 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 78 V 8.12 3.62 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 0.80 0.00 0.00 0.98 0.00 0.00 79 D 8.90 4.38 0.00 2.96 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 80 M 8.07 3.67 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 81 V 7.85 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 82 K 7.97 3.98 0.00 1.85 2.03 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 83 Q 8.24 4.13 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.82 2.72 0.00 84 G 8.26 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 0.00 0.00 0.00 85 R 8.00 3.96 0.00 2.19 2.01 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 86 K 7.95 3.96 0.00 1.87 2.01 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 87 L 8.22 3.99 0.00 1.72 1.23 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.66 3.80 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.94 0.00 0.00 89 G 8.27 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 0.00 0.00 0.00 90 E 8.34 4.20 0.00 1.97 1.93 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 2.32 2.29 0.00 91 T 8.51 3.91 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 1.27 0.00 0.00 92 N 7.98 4.66 0.00 2.81 2.71 0.00 0.00 7.18 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 5.06 0.00 2.14 2.33 0.00 3.80 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 94 L 8.10 4.18 0.00 1.79 1.72 1.01 0.99 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 95 T 7.56 4.32 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 96 S 7.70 4.37 0.00 4.04 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 97 N 8.49 4.70 0.00 2.74 2.75 0.00 0.00 6.88 7.05 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 98 T 8.06 3.87 4.17 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 1.18 0.00 0.00 99 G 8.85 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 0.00 0.00 0.00 100 T 7.35 4.32 4.35 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 1.27 0.00 0.00 101 I 8.16 3.70 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.65 1.11 0.00 0.00 102 R 8.23 4.14 0.00 2.03 2.00 0.00 3.37 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 103 G 7.71 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 0.00 104 D 7.51 4.42 0.00 2.00 1.54 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 0.00 105 F 8.00 5.16 0.00 3.18 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 0.00 106 C 8.00 5.09 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.53 4.62 0.00 1.60 1.67 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.78 4.75 0.00 1.96 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 2.25 2.28 0.00 109 V 8.35 3.93 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 0.79 0.00 0.00 0.97 0.00 0.00 110 S 8.12 4.31 0.00 3.82 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 0.00 111 K 7.81 4.74 0.00 1.79 1.92 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.47 7.81 112 N 8.06 5.01 0.00 2.93 3.04 0.00 0.00 6.18 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 0.00 113 V 8.56 3.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.02 0.00 0.00 114 I 8.80 5.15 1.92 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 1.11 1.02 1.03 0.00 0.00 115 H 9.43 5.02 0.00 3.31 3.03 0.00 5.77 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 0.00 116 G 8.11 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 0.00 0.00 0.00 117 S 8.23 4.72 0.00 3.92 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 0.00 118 D 8.91 4.61 0.00 2.81 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 0.00 119 S 7.60 4.73 0.00 4.03 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 0.00 120 V 8.44 3.57 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 1.06 0.00 0.00 0.95 0.00 0.00 121 A 7.95 4.03 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 S 8.38 4.12 0.00 4.10 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 0.00 123 A 8.26 4.10 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 0.00 124 N 8.19 4.37 0.00 2.79 2.91 0.00 0.00 6.76 7.24 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 0.00 125 K 7.84 3.97 0.00 1.84 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 126 E 8.35 4.00 0.00 2.44 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 2.51 2.43 0.00 127 I 8.23 3.86 1.93 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 1.66 0.94 0.97 0.00 0.00 128 N 7.74 4.36 0.00 2.80 2.88 0.00 0.00 7.05 7.30 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 0.00 129 I 7.38 3.74 1.71 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.17 0.89 0.00 0.00 130 W 7.80 4.07 0.00 3.05 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.89 5.10 0.00 3.13 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 0.00 132 K 9.54 4.45 0.00 1.89 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.53 7.81 133 A 8.63 4.08 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 0.00 134 E 8.18 4.11 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 135 E 8.09 4.06 0.00 2.41 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 0.00 2.46 2.37 0.00 136 L 7.45 4.04 0.00 1.70 1.61 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.68 4.42 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 1.27 0.00 0.00 138 Q 8.72 4.62 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 139 W 8.34 5.22 0.00 3.57 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 0.00 140 K 8.68 4.00 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 141 H 8.21 4.48 0.00 2.45 2.95 0.00 5.75 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 9.34 4.26 0.00 3.26 3.49 0.00 5.97 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 M 7.92 4.40 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 144 K 7.73 3.90 0.00 1.93 1.75 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 145 E 8.17 3.79 0.00 1.87 1.51 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 2.17 2.32 0.00 146 W 7.99 4.72 0.00 3.33 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 0.00 147 I 7.61 4.35 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.99 0.00 0.00 148 C 7.80 4.85 0.00 3.07 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 0.00 149 S 8.53 4.20 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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