NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3702 8.3044 120.3255 56.2818 32.4596 173.9056 2 T 3.8539 7.9984 116.9152 61.8500 69.9379 170.8428 3 N 4.6095 8.2145 120.5091 51.7198 41.8243 172.6383 4 P 4.4468 0.0000 0.0000 62.5171 32.3814 175.7264 5 Q 4.4569 7.9361 120.0265 54.8960 31.9439 173.5719 6 F 4.6315 8.2280 121.7210 56.6048 43.4451 173.7284 7 A 3.7145 8.7345 123.4805 53.4414 14.9482 177.6166 8 G 3.9364 7.7671 114.3561 44.7317 0.0000 171.6330 9 H 4.2487 7.4714 113.7394 53.9001 29.9424 172.7518 10 P 3.8505 0.0000 0.0000 61.1562 31.0943 176.4380 11 F 4.2661 8.4957 118.1239 58.8676 36.2582 174.8322 12 G 4.4019 9.4751 120.4223 46.0361 0.0000 172.8971 13 T 3.8628 6.8980 115.2280 65.8976 68.7447 175.1474 14 T 4.4872 7.6567 116.8835 63.2506 71.3481 174.9589 15 V 4.3294 7.4252 121.4063 61.2888 31.1261 174.2392 16 T 4.6041 7.4292 119.5876 61.9834 71.4762 174.9011 17 A 3.9135 8.6389 125.0542 55.5698 18.3731 179.8196 18 E 3.9871 8.0612 117.1898 59.8400 29.9754 178.5304 19 T 3.8500 7.9823 115.1997 67.0665 68.3998 176.2252 20 L 3.6953 8.1622 120.7251 57.6277 41.6117 179.5500 21 R 4.0237 8.3394 119.1146 59.2885 29.7616 178.2847 22 N 4.5758 7.8635 115.3401 56.1917 38.6921 177.0539 23 T 3.9923 7.4122 116.6935 66.2906 68.7844 176.5285 24 F 4.7907 8.2795 118.8951 58.9933 38.8965 177.7147 25 A 4.0431 8.1795 121.3128 54.7712 18.2012 177.0604 26 P 4.3147 0.0000 0.0000 65.6091 31.8084 176.8327 27 L 4.2932 7.4971 119.8517 54.7528 39.6794 176.2160 28 T 4.2033 8.1918 117.9877 63.1533 68.2181 174.8535 29 Q 4.3702 7.9159 121.4092 54.7026 29.8267 176.1080 30 W 4.4112 9.1684 132.8082 60.8869 30.6054 177.4248 31 E 3.8106 8.4596 117.8042 59.8255 28.4868 179.2551 32 D 4.3273 8.3476 118.5582 57.3457 41.0337 178.4692 33 K 3.9615 8.2174 118.4370 60.1836 31.8719 178.4922 34 Y 4.1674 8.2301 118.1336 60.6723 38.8053 178.1690 35 R 4.0298 7.9829 119.3857 59.1595 30.3115 178.5049 36 Q 4.0510 9.4304 120.0894 59.2840 28.5189 178.4401 37 L 4.0927 8.5787 120.4254 58.0501 41.5613 179.4702 38 I 3.6823 7.6441 119.3916 64.8905 37.1688 178.4784 39 M 4.1515 7.9625 118.6628 58.1042 31.5459 178.4642 40 L 4.1488 7.9039 119.0411 57.7233 41.9997 179.5869 41 G 3.7644 8.0127 105.2748 47.8423 0.0000 175.5874 42 K 3.8804 8.1528 119.8288 59.4729 32.1177 178.5471 43 Q 4.1196 7.7809 116.3735 58.0819 29.1263 177.7741 44 L 4.1242 7.4007 118.7093 54.1866 42.2649 175.5052 45 P 4.4259 0.0000 0.0000 62.0216 32.2144 175.8487 46 A 4.0579 8.3186 122.7335 51.4170 18.3297 177.3247 47 L 3.9868 8.6397 126.5757 54.6174 42.2756 175.8028 48 P 4.4585 0.0000 0.0000 62.0817 33.6503 176.6331 49 D 4.0412 8.2879 117.0495 57.2912 40.7641 177.3958 50 E 3.8317 8.1191 119.3705 59.6608 29.3678 178.8619 51 L 4.1038 7.6820 118.0979 57.5040 41.5768 179.1475 52 K 3.7313 7.8222 117.7122 59.5703 31.9681 178.8015 53 A 4.1944 7.9765 120.0294 54.9231 18.4070 179.2702 54 Q 4.1728 7.6880 113.9941 57.1668 29.1214 175.6082 55 A 4.6137 7.8507 121.3321 50.2894 21.9313 175.8940 56 K 4.6306 9.8021 117.5432 54.9523 34.8904 176.2157 57 E 4.1687 8.5769 122.2852 55.9115 30.8122 176.3441 58 I 4.3670 8.5995 124.0486 59.0404 40.7448 175.9802 59 A 4.7969 8.4188 133.5575 52.0544 19.3718 175.9497 60 G 4.1608 7.8789 105.3435 46.3139 0.0000 172.6263 61 C 4.7558 7.6568 116.4836 57.6747 32.4778 173.6337 62 E 3.9877 8.6563 119.0223 60.0715 28.9627 176.5985 63 N 4.7040 7.7443 112.8836 52.2296 41.7460 172.8781 64 R 3.6948 8.2034 116.6737 56.4556 31.6982 176.2430 65 V 4.5315 8.0391 121.3412 61.5037 35.3898 173.1968 66 W 5.2458 9.6188 128.2180 54.9251 31.8763 174.5623 67 L 4.8437 8.8566 125.1525 54.0488 45.6656 174.4333 68 G 3.7630 8.3480 110.9629 45.3874 0.0000 171.2676 69 Y 5.8867 7.2817 118.8036 57.1361 41.2572 173.5279 70 T 4.7587 8.3008 107.9661 60.4522 72.1608 172.9133 71 V 4.2876 8.5037 124.8231 62.6332 32.2851 176.1558 72 A 4.4504 8.1498 129.8867 51.4714 20.3194 177.3274 73 E 3.9045 8.8638 115.7987 59.8288 29.5561 178.6389 74 N 4.4726 8.0664 114.3600 54.6564 37.8827 174.6820 75 G 3.4792 7.4730 107.5109 45.1112 0.0000 172.5809 76 K 4.0198 8.9015 121.7771 57.1927 32.4838 176.1225 77 M 5.4331 8.3905 123.7226 54.7729 33.4752 175.9657 78 H 5.1718 8.8700 117.9169 54.3335 31.9826 172.9321 79 F 5.1609 9.4294 122.6465 57.1043 40.5319 175.7306 80 F 4.7740 8.9174 114.4618 56.9746 41.2049 173.4279 81 G 4.3382 8.5112 112.2787 47.0562 0.0000 170.0521 82 D 4.6913 8.8564 119.0668 54.9692 46.2708 174.5014 83 S 5.0021 8.5249 112.3494 58.2106 64.9344 174.8587 84 E 4.1906 8.7834 123.4631 59.2894 29.9705 178.1697 85 G 3.6532 8.1722 111.1637 45.3606 0.0000 173.8864 86 R 3.8980 8.9076 126.1168 59.2904 30.0188 178.1597 87 I 3.4463 7.7580 117.4042 64.3371 37.8024 177.5260 88 V 3.5697 7.7297 118.0194 66.1225 31.1321 177.6578 89 R 4.1079 8.4666 117.0481 59.5293 30.2860 178.8218 90 G 3.8921 8.4840 106.7005 47.2709 0.0000 175.2784 91 L 4.2615 8.0932 122.0231 57.8048 41.2020 179.4241 92 L 3.9763 8.1488 118.3102 58.5230 41.6036 178.9513 93 A 3.4574 7.8558 119.1994 55.5571 18.2333 179.3870 94 V 3.3154 7.7294 114.2916 66.1461 31.4235 177.9568 95 L 3.8166 7.7185 119.4756 58.2129 41.7672 178.6558 96 L 3.5850 8.5819 119.0699 58.2097 41.7707 179.7684 97 T 4.0681 8.2892 115.6103 66.5049 68.2588 176.8373 98 A 4.0206 8.1478 121.7773 54.2929 18.6836 178.8036 99 V 4.3273 7.6199 110.6312 60.0757 32.8014 174.7624 100 E 3.8059 7.9768 121.5746 57.0930 28.8299 176.9028 101 G 4.1556 8.4645 118.7081 46.2188 0.0000 171.3295 102 K 4.5003 7.8059 116.6781 55.2338 34.2853 176.6460 103 T 4.4962 8.0622 110.9624 60.1637 71.8751 175.3058 104 A 3.9387 8.5705 125.1303 55.6932 18.4020 179.6582 105 A 3.8987 8.1393 118.0714 55.5960 18.3134 179.0982 106 E 3.8460 7.8747 116.4271 59.8323 29.4099 179.5680 107 L 4.0424 7.9518 117.4492 58.4580 41.8864 179.7338 108 Q 4.1096 7.8497 115.6214 58.6892 28.6780 178.3125 109 A 4.3480 8.3471 120.9394 53.0943 18.5475 177.3670 110 Q 4.2794 7.5653 116.8583 55.2130 32.1549 174.1461 111 S 4.3267 8.4963 122.4506 57.9441 63.2908 173.4025 112 P 4.5621 0.0000 0.0000 64.0953 31.6701 177.9731 113 L 4.3888 7.8752 119.3030 56.9279 41.1704 178.2969 114 A 4.0173 7.8041 121.1888 55.2340 18.1681 178.9819 115 L 3.8861 7.9433 117.6201 58.5018 42.0279 178.7761 116 F 4.2273 7.5276 117.7426 60.8699 39.0423 177.4669 117 D 4.3260 8.9426 117.4673 57.3441 40.8696 177.7384 118 E 3.9539 9.0160 118.4665 59.8340 29.6685 179.4089 119 L 4.2600 8.7277 118.0274 55.5247 41.9569 178.0281 120 G 3.7451 7.8520 106.6254 46.3136 0.0000 174.3006 121 L 4.8221 8.6160 118.0208 54.6626 41.9027 176.7077 122 R 4.7645 8.1643 117.2676 57.7288 36.8230 176.7264 123 A 3.8558 8.1361 119.3311 55.1559 18.4020 178.3474 124 Q 3.5959 7.5121 113.2632 57.6695 29.1211 176.7904 125 L 4.1301 7.5131 116.8554 55.3827 42.3668 178.0373 126 S 4.2000 8.9051 118.5616 58.6442 64.5605 175.1237 127 A 3.9249 8.6186 126.3681 56.3106 18.2623 179.9020 128 S 3.9868 8.1646 111.5562 62.5420 62.8914 177.0255 129 R 3.9220 8.0527 119.7176 59.6142 29.9807 178.8811 130 S 4.0602 8.4485 114.2365 61.8471 62.7600 176.3058 131 Q 4.0502 8.3802 123.1813 59.1276 28.5531 178.8580 132 G 3.5026 8.6484 107.0480 47.5454 0.0000 175.3417 133 L 3.7802 7.8319 121.6105 57.4034 41.5366 179.2337 134 N 4.1901 8.0759 115.6758 56.3781 38.3198 176.7788 135 A 4.2066 7.4940 120.2164 55.5769 18.7280 179.0402 136 L 4.0122 7.8921 116.8413 58.2852 41.6678 179.6031 137 S 4.0731 8.4015 112.7751 61.8847 62.3650 175.9897 138 E 3.6140 9.0092 121.8776 59.7697 29.2686 179.1984 139 A 4.1424 8.0851 120.4356 55.4972 17.9164 179.8365 140 I 3.5709 8.7781 119.1077 64.6130 37.3731 178.3389 141 I 4.3303 8.1518 121.1899 64.0390 36.6946 178.0016 142 A 4.0010 8.3851 120.2358 54.9848 18.5425 179.3545 143 A 4.1597 7.8597 118.9982 55.6954 18.5902 179.7168 144 T 3.9627 9.0166 109.0818 65.3451 68.4429 176.4162 145 K 4.0089 8.1163 120.9298 59.0521 31.7624 179.1905 146 Q 3.9177 8.3322 119.5608 59.1756 29.1818 177.8723 147 V 3.7584 7.7156 117.3621 65.8631 31.6885 177.4039 148 L 4.1480 8.3699 118.3247 57.8913 41.6667 177.0863 149 E 4.1515 7.9815 121.1065 56.6929 29.3653 176.8373 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 4.37 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 T 8.00 3.85 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 1.20 0.00 0.00 3 N 8.21 4.61 0.00 2.69 2.67 0.00 0.00 6.89 8.01 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 4 P 0.00 4.45 0.00 2.21 2.05 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 5 Q 7.94 4.46 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 6 F 8.23 4.63 0.00 2.95 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 7 A 8.73 3.71 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 8 G 7.77 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 0.00 0.00 0.00 9 H 7.47 4.25 0.00 2.15 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.71 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 3.85 0.00 2.17 1.99 0.00 2.32 0.00 0.00 3.36 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 11 F 8.50 4.27 0.00 3.12 3.07 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 12 G 9.48 4.40 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 0.00 13 T 6.90 3.86 4.33 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 1.20 0.00 0.00 14 T 7.66 4.49 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 15 V 7.43 4.33 2.26 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 0.97 0.00 0.00 0.91 0.00 0.00 16 T 7.43 4.60 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 1.27 0.00 0.00 17 A 8.64 3.91 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 18 E 8.06 3.99 0.00 2.09 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 2.37 2.45 0.00 19 T 7.98 3.85 4.41 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 1.21 0.00 0.00 20 L 8.16 3.70 0.00 1.82 1.71 0.95 1.01 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 21 R 8.34 4.02 0.00 2.10 1.94 0.00 3.12 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 22 N 7.86 4.58 0.00 2.85 2.82 0.00 0.00 7.07 7.53 0.00 0.00 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 T 7.41 3.99 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 0.96 0.00 0.00 24 F 8.28 4.79 0.00 3.12 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 25 A 8.18 4.04 1.42 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 0.00 0.00 0.00 26 P 0.00 4.31 0.00 2.23 2.22 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 27 L 7.50 4.29 0.00 1.87 1.85 1.14 1.14 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 28 T 8.19 4.20 4.28 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 1.25 0.00 0.00 29 Q 7.92 4.37 0.00 2.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 30 W 9.17 4.41 0.00 3.26 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 31 E 8.46 3.81 0.00 2.06 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 2.36 2.44 0.00 32 D 8.35 4.33 0.00 2.96 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 33 K 8.22 3.96 0.00 2.10 1.73 0.00 1.76 0.00 0.00 1.98 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.86 0.94 7.81 34 Y 8.23 4.17 0.00 2.31 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 35 R 7.98 4.03 0.00 2.15 1.96 0.00 3.34 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 36 Q 9.43 4.05 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 37 L 8.58 4.09 0.00 1.77 1.72 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.64 3.68 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.33 0.89 0.00 0.00 39 M 7.96 4.15 0.00 2.07 2.48 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 2.70 2.64 0.00 40 L 7.90 4.15 0.00 1.79 1.81 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.01 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 42 K 8.15 3.88 0.00 1.91 1.94 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 43 Q 7.78 4.12 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 44 L 7.40 4.12 0.00 1.94 1.75 1.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.43 0.00 2.22 2.07 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 46 A 8.32 4.06 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 47 L 8.64 3.99 0.00 1.83 1.60 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.46 0.00 2.17 2.07 0.00 3.69 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 1.90 1.89 0.00 49 D 8.29 4.04 0.00 2.69 2.61 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 50 E 8.12 3.83 0.00 1.99 1.77 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 2.22 2.38 0.00 51 L 7.68 4.10 0.00 1.79 1.79 0.67 0.87 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 52 K 7.82 3.73 0.00 1.56 1.58 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 1.16 7.81 53 A 7.98 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 54 Q 7.69 4.17 0.00 2.31 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 55 A 7.85 4.61 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 56 K 9.80 4.63 0.00 1.73 1.66 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.28 7.81 57 E 8.58 4.17 0.00 1.82 1.72 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 1.75 2.38 0.00 58 I 8.60 4.37 1.76 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 1.08 0.81 0.83 0.00 0.00 59 A 8.42 4.80 1.10 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 60 G 7.88 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 0.00 0.00 0.00 0.00 61 C 7.66 4.76 0.00 2.85 2.79 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 62 E 8.66 3.99 0.00 1.92 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 0.00 2.33 2.41 0.00 63 N 7.74 4.70 0.00 2.63 2.68 0.00 0.00 6.95 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 64 R 8.20 3.69 0.00 1.77 1.50 0.00 3.39 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.36 0.00 65 V 8.04 4.53 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 0.80 0.00 0.00 0.95 0.00 0.00 66 W 9.62 5.25 0.00 3.33 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 67 L 8.86 4.84 0.00 1.75 1.47 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.35 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 69 Y 7.28 5.89 0.00 2.32 2.02 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 70 T 8.30 4.76 4.32 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 1.29 0.00 0.00 71 V 8.50 4.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.01 0.00 0.00 72 A 8.15 4.45 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 73 E 8.86 3.90 0.00 1.99 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 0.00 2.33 2.26 0.00 74 N 8.07 4.47 0.00 2.85 2.96 0.00 0.00 6.12 7.03 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 75 G 7.47 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.90 4.02 0.00 1.94 1.89 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.50 7.81 77 M 8.39 5.43 0.00 1.96 2.32 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.49 0.00 78 H 8.87 5.17 0.00 3.20 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 9.43 5.16 0.00 2.80 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 80 F 8.92 4.77 0.00 3.23 3.37 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 81 G 8.51 4.34 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 0.00 82 D 8.86 4.69 0.00 2.66 2.71 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 0.00 0.00 0.00 0.00 83 S 8.52 5.00 0.00 3.91 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 84 E 8.78 4.19 0.00 1.95 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 0.00 2.53 2.56 0.00 85 G 8.17 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 86 R 8.91 3.90 0.00 1.83 2.18 0.00 3.15 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 87 I 7.76 3.45 1.56 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.17 0.80 0.00 0.00 88 V 7.73 3.57 2.23 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 1.11 0.00 0.00 0.92 0.00 0.00 89 R 8.47 4.11 0.00 1.98 2.08 0.00 3.50 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 90 G 8.48 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 0.00 0.00 0.00 91 L 8.09 4.26 0.00 2.05 2.01 1.01 0.88 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 92 L 8.15 3.98 0.00 1.86 1.66 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.86 3.46 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 0.00 0.00 94 V 7.73 3.32 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 -0.44 0.00 0.00 0.91 0.00 0.00 95 L 7.72 3.82 0.00 2.16 1.78 0.99 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.58 3.59 0.00 0.40 1.05 0.12 0.85 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 97 T 8.29 4.07 4.32 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 1.21 0.00 0.00 98 A 8.15 4.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.62 4.33 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 0.49 0.00 0.00 0.12 0.00 0.00 100 E 7.98 3.81 0.00 2.06 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 2.38 2.46 0.00 101 G 8.46 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 0.00 0.00 0.00 0.00 102 K 7.81 4.50 0.00 1.84 1.72 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.36 7.81 103 T 8.06 4.50 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 0.00 104 A 8.57 3.94 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 0.00 105 A 8.14 3.90 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 0.00 106 E 7.87 3.85 0.00 2.17 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 0.00 2.35 2.55 0.00 107 L 7.95 4.04 0.00 1.83 1.75 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.85 4.11 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 109 A 8.35 4.35 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 0.00 110 Q 7.57 4.28 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 111 S 8.50 4.33 0.00 3.93 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 0.00 112 P 0.00 4.56 0.00 2.27 2.20 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 113 L 7.88 4.39 0.00 1.74 1.77 0.88 0.81 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 0.00 114 A 7.80 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 0.00 115 L 7.94 3.89 0.00 1.62 1.45 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 116 F 7.53 4.23 0.00 3.34 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 0.00 117 D 8.94 4.33 0.00 2.77 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 0.00 118 E 9.02 3.95 0.00 2.25 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 2.36 2.52 0.00 119 L 8.73 4.26 0.00 1.51 1.74 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.85 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 0.00 121 L 8.62 4.82 0.00 1.87 1.98 1.09 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.16 4.76 0.00 1.84 1.88 0.00 3.01 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 123 A 8.14 3.86 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 0.00 124 Q 7.51 3.60 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.49 0.00 0.00 0.00 0.00 0.00 1.16 1.66 0.00 125 L 7.51 4.13 0.00 1.81 1.73 1.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.91 4.20 0.00 3.91 3.83 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 0.00 127 A 8.62 3.92 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 0.00 128 S 8.16 3.99 0.00 3.88 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 0.00 129 R 8.05 3.92 0.00 2.09 2.05 0.00 3.26 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 130 S 8.45 4.06 0.00 3.95 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 0.00 131 Q 8.38 4.05 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 132 G 8.65 3.50 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 0.00 133 L 7.83 3.78 0.00 1.67 1.54 0.62 -0.59 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 0.00 134 N 8.08 4.19 0.00 2.96 2.84 0.00 0.00 6.87 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 0.00 135 A 7.49 4.21 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 0.00 136 L 7.89 4.01 0.00 1.85 1.74 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.40 4.07 0.00 3.91 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 0.00 138 E 9.01 3.61 0.00 2.09 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 2.41 2.54 0.00 139 A 8.09 4.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.78 3.57 1.98 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 1.79 0.94 0.92 0.00 0.00 141 I 8.15 4.33 1.98 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 1.67 0.73 0.91 0.00 0.00 142 A 8.39 4.00 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 0.00 143 A 7.86 4.16 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 0.00 0.00 0.00 0.00 0.00 144 T 9.02 3.96 4.25 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 1.28 0.00 0.00 145 K 8.12 4.01 0.00 2.15 1.92 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.53 7.81 146 Q 8.33 3.92 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 147 V 7.72 3.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 148 L 8.37 4.15 0.00 1.72 1.73 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.98 4.15 0.00 2.24 1.88 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 2.35 2.27 0.00