NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2944 8.1844 120.6303 54.0335 43.2655 175.9588 3 K 4.0001 8.3097 123.0728 55.8379 33.4250 173.5401 4 Q 5.0587 8.9753 128.4898 54.7644 30.9455 174.1898 5 V 4.7644 8.9437 126.1917 61.2031 35.3419 173.6646 6 E 4.9039 9.1112 126.7957 54.8476 31.7680 174.9828 7 I 5.0156 8.4530 124.6243 59.4404 40.8689 174.5677 8 F 5.4546 9.2654 124.2681 55.9996 42.7183 174.1445 9 T 5.3156 8.7287 111.7405 60.6974 72.1063 172.3002 10 D 4.8015 9.4007 121.4805 54.0365 45.3026 173.9528 11 G 4.6661 8.0975 107.3644 45.7207 0.0000 172.1778 12 S 4.7328 8.5356 115.3404 58.2402 66.7835 174.4612 13 C 5.1048 8.5270 117.1812 57.9614 29.8857 174.7850 14 L 4.1267 8.6074 122.6893 57.2457 41.4550 178.1596 15 G 4.1472 7.7492 104.4130 43.4194 0.0000 171.1013 16 N 4.7970 8.5932 119.9618 50.6746 40.3812 172.5551 17 P 4.6512 0.0000 0.0000 61.7809 33.2404 177.0134 18 G 3.9884 7.8519 105.5520 45.6404 0.0000 169.9491 19 P 4.8585 0.0000 0.0000 62.7644 32.6451 175.9625 20 G 4.4467 9.0532 109.6396 45.9200 0.0000 171.3577 21 G 4.5969 8.8504 106.4057 45.7815 0.0000 171.7555 22 Y 5.5512 8.2765 117.7240 55.0284 41.9639 174.7561 23 G 4.6098 9.6029 106.4715 44.6930 0.0000 171.5459 24 A 5.5402 9.7136 124.8379 50.2409 23.4654 174.9594 25 I 5.1567 9.1617 120.7576 59.6629 41.0155 174.4220 26 L 5.1830 9.3602 127.7765 53.0209 44.1677 175.5038 27 R 5.1893 9.3118 124.1342 54.7196 33.4075 173.3952 28 Y 4.7587 8.8279 127.2472 56.0164 41.9320 175.1631 29 R 3.3025 9.4658 126.6991 57.0454 27.6668 176.6816 30 G 4.0509 8.4536 106.9214 45.4892 0.0000 174.9852 31 R 4.1832 7.7369 119.6581 55.8663 30.8157 174.5899 32 E 5.3423 8.5675 123.0627 54.5518 32.4865 175.3261 33 K 4.6213 9.3587 122.3583 54.9095 35.5049 175.1817 34 T 5.1342 8.2213 120.2588 61.8314 71.0793 173.7164 35 F 4.8726 9.1319 123.6423 55.9560 42.9293 174.1479 36 S 4.8964 8.8889 113.6079 58.3698 65.2045 173.8107 37 A 4.4625 7.0265 126.8248 50.5038 22.8764 174.7884 38 G 4.3758 8.3779 106.0772 44.5864 0.0000 171.8218 39 Y 5.3400 9.1843 120.5027 55.9778 40.4695 177.1332 40 T 3.9758 9.0046 114.0217 64.4622 70.3042 174.3775 41 R 4.7443 7.8774 121.9636 55.4868 32.9257 173.8631 42 T 3.9784 8.5659 122.2442 61.6422 71.1391 171.9067 43 T 4.7501 7.7767 108.9053 59.0568 72.3407 174.3860 44 N 4.2434 8.6661 118.8645 56.6497 38.4999 177.3063 45 N 4.0982 7.8553 117.0797 56.4504 38.5944 177.5761 46 R 3.8602 7.7792 119.2768 59.4290 29.9801 179.0762 47 M 4.1760 8.0867 118.5522 58.0260 31.4906 178.5055 48 E 4.0098 8.4824 119.2826 59.4795 29.6754 179.2696 49 L 3.7478 7.9666 120.2469 58.2261 42.0534 178.5017 50 M 3.8112 8.5035 118.3417 58.3230 32.1262 177.8409 51 A 3.5767 8.1096 121.1758 55.2044 18.5929 179.8439 52 V 3.5357 7.2696 116.1308 66.0820 31.6092 177.9756 53 I 3.6302 7.7211 119.6106 64.6487 37.1315 178.4905 54 V 3.3994 7.7671 118.7586 65.7232 31.0147 177.8531 55 A 3.5223 7.2658 118.9360 55.0998 18.6685 179.3627 56 L 3.9162 7.7808 117.4034 57.9231 41.4976 179.6020 57 E 3.9868 8.3184 117.4620 59.0275 29.3649 178.9630 58 A 4.0668 7.2662 119.6647 53.3573 18.4967 177.8435 59 L 4.0094 7.0566 118.0439 54.9136 41.9101 177.1637 60 K 4.4480 8.5655 121.9653 56.1017 33.0474 175.5442 61 E 4.6681 7.4764 115.5198 54.2946 32.6859 174.4641 62 H 4.3152 8.6064 117.2327 56.3184 29.3351 174.6978 63 C 5.0882 8.9702 119.4846 57.8715 32.8973 172.3793 64 E 4.9132 9.0213 120.4039 55.3329 30.8564 175.7272 65 V 4.7002 8.7058 124.7142 60.9869 35.0369 174.1448 66 I 4.5652 8.3435 128.5529 59.6222 39.1466 174.1697 67 L 4.6646 8.3359 130.7008 53.1307 44.3572 175.0647 68 S 5.5211 8.7443 123.0075 56.3957 65.1525 173.2262 69 T 5.0857 8.4535 118.7376 60.4324 70.9717 173.4361 70 D 5.5079 8.8691 125.1587 52.7622 40.1962 176.5689 71 S 4.4131 8.1457 115.9247 58.2199 63.1890 174.3959 72 Q 3.8982 8.7837 130.5123 59.1752 28.9225 177.1488 73 Y 4.3356 8.1442 120.2163 60.9728 38.9205 178.3058 74 V 3.7919 8.0907 119.0183 65.9077 31.5932 177.8140 75 R 2.5100 7.8263 118.3980 59.1834 29.6730 178.6107 76 Q 3.4375 8.2309 118.2047 58.3639 28.5396 178.6863 77 G 2.8986 7.9632 106.9538 47.5848 0.0000 175.8618 78 I 3.5549 7.2155 121.2747 63.9838 37.2690 178.0569 79 T 3.9751 7.2877 108.7285 62.8707 69.0902 175.8481 80 Q 3.8779 7.1673 118.8711 56.4291 30.4845 177.0892 81 W 4.3328 6.5513 118.3456 58.5741 29.7162 178.3073 82 I 3.3393 7.1647 119.0676 64.2048 37.2127 177.4623 83 H 4.0638 7.9818 115.4165 58.8423 28.2396 177.0646 84 N 4.2075 7.3893 118.3224 55.0800 38.5585 177.2041 85 W 4.2754 7.8188 120.7268 59.7778 29.1364 178.5722 86 K 3.1349 7.4237 117.9844 59.2074 31.2358 179.3225 87 K 3.8662 7.3263 117.2351 59.3416 32.1938 178.4229 88 R 4.4882 7.7323 116.5028 55.1484 30.0190 176.8536 89 G 3.7953 8.1986 105.9871 46.6084 0.0000 174.0401 90 W 3.6253 8.4399 115.7282 57.4793 27.1582 174.4643 91 K 4.9943 7.5619 113.8329 54.7095 35.6062 177.0155 92 T 4.3339 8.3751 111.9300 60.3524 70.5259 175.3669 93 A 3.9355 8.4515 123.5228 55.2468 18.3157 178.0705 94 D 4.5439 8.0154 112.8233 53.2591 39.6217 176.9600 95 K 3.9290 8.1096 117.6103 57.1376 30.3660 176.0685 96 K 4.2891 7.9882 119.2309 55.0164 32.8232 174.7234 97 P 4.7074 0.0000 0.0000 62.6806 32.3167 176.4524 98 V 3.4116 8.3906 123.4156 62.7988 32.4321 175.2439 99 K 4.0235 8.6091 128.9080 57.6054 32.7570 175.8346 100 N 4.4919 9.1232 123.1014 54.4592 36.2714 176.5944 101 V 3.6034 7.6567 121.4182 65.0216 31.1153 177.1955 102 D 4.2303 8.0178 119.1027 56.4855 38.9826 178.6703 103 L 3.9171 7.6749 119.8333 56.8995 41.6906 179.2297 104 W 4.4102 8.1476 119.0916 60.0323 29.0692 178.6424 105 Q 3.7523 8.2373 118.4193 58.7205 27.9351 178.7335 106 R 3.8752 7.8693 119.8031 59.1322 30.0190 178.4297 107 L 4.0851 8.3425 120.5894 58.3233 41.8256 178.1177 108 D 4.5723 8.6544 118.0452 57.8320 40.8898 178.3678 109 A 4.1248 8.0505 119.4322 54.5325 18.6443 178.8878 110 A 4.2612 7.6626 118.0779 54.6514 18.6399 179.6391 111 L 4.1990 8.3839 118.0064 58.0554 41.5589 179.8772 112 G 3.7506 7.7917 103.5327 46.9480 0.0000 174.7363 113 Q 4.4204 7.8193 118.3243 55.9278 29.2142 174.7617 114 H 4.9484 7.2257 115.9793 54.3420 33.7071 173.4341 115 Q 4.4017 8.8535 119.8599 55.0351 29.4535 174.5930 116 I 4.4982 8.1495 125.0865 59.1487 39.3624 175.2389 117 K 4.3115 8.7636 128.9486 54.4202 33.7879 174.8966 118 W 4.3170 8.5361 128.1723 55.9781 30.3339 176.2519 119 E 4.2766 8.6336 125.3426 53.9392 30.4235 174.5849 120 W 5.1075 8.0498 124.6438 56.5335 29.9490 176.0259 121 V 4.4496 8.8986 124.9090 59.9194 33.7257 175.5510 122 K 4.3453 8.9174 121.9272 57.4276 33.7636 176.6284 123 G 4.0855 8.8805 110.6725 46.1862 0.0000 172.4229 124 H 4.4493 8.7624 118.1808 57.7341 29.2461 175.6117 125 A 4.1041 8.0509 122.2838 54.0812 18.1800 177.6528 126 G 3.9386 9.2315 111.4528 45.8166 0.0000 173.2147 127 H 4.9689 8.1601 116.9265 52.8458 28.9596 172.4396 128 P 4.2645 0.0000 0.0000 65.7025 31.5157 178.6562 129 E 3.7093 7.7632 118.0380 59.2023 29.2243 178.8120 130 N 4.3969 7.9775 116.1478 56.0831 38.6824 176.8873 131 E 3.5881 8.0123 120.8623 59.2434 29.7193 178.9234 132 R 3.9088 8.2197 118.9505 59.5318 30.0553 178.2138 133 C 4.2025 8.3340 116.9621 62.8577 28.1323 175.5585 134 D 4.3917 8.2856 119.7110 57.4603 40.8383 178.1952 135 E 4.0204 8.3005 119.1387 59.2717 29.3306 179.3832 136 L 3.9722 8.0593 118.9132 57.5874 41.7342 179.2285 137 A 4.1229 8.1686 120.7482 55.5581 18.1664 180.0399 138 R 3.9288 7.9634 114.7396 59.1308 30.4884 178.9346 139 A 4.1055 8.2213 120.6209 55.0744 18.5264 179.5544 140 A 3.8929 8.3197 119.4015 55.1754 18.2121 179.7024 141 A 4.1667 7.9007 118.2285 55.3145 18.4385 179.3918 142 M 4.2542 7.6623 116.2164 57.1103 33.4166 176.5633 143 N 5.0257 7.6989 114.7174 50.7926 39.2303 172.3383 144 P 4.4098 0.0000 0.0000 62.7783 32.6269 177.2688 145 T 4.4283 8.2416 109.1499 61.1195 70.6286 173.6951 146 L 4.5705 7.5247 122.3996 52.8685 44.0113 174.5182 147 E 4.8752 8.4279 120.9415 54.7557 31.4638 176.2475 148 D 4.8163 8.6052 126.4480 52.9726 39.8793 176.2735 149 T 3.9536 8.3055 120.2583 66.0075 68.9226 175.9040 150 G 4.1750 7.9175 107.3484 46.2611 0.0000 173.0105 151 Y 4.2747 7.7934 122.0175 57.7756 38.9358 175.0544 152 Q 4.1122 8.4489 125.9405 53.5373 30.9769 175.6091 153 V 3.6006 7.8318 121.7518 63.2788 31.3537 175.5914 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 2 L 8.18 4.29 0.00 1.64 1.67 0.92 0.58 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 3 K 8.31 4.00 0.00 1.99 1.56 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.28 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.97 1.31 7.81 4 Q 8.98 5.06 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 5 V 8.94 4.76 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 0.99 0.00 0.00 0.93 0.00 0.00 6 E 9.11 4.90 0.00 2.01 1.62 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 0.00 2.19 2.27 0.00 7 I 8.45 5.02 1.60 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.56 0.81 0.00 0.00 8 F 9.27 5.45 0.00 2.96 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 9 T 8.73 5.32 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 1.29 0.00 0.00 10 D 9.40 4.80 0.00 2.84 2.60 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 11 G 8.10 4.67 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 12 S 8.54 4.73 0.00 3.87 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 C 8.53 5.10 0.00 2.82 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 14 L 8.61 4.13 0.00 1.67 1.73 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.75 4.15 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 0.00 16 N 8.59 4.80 0.00 2.72 2.69 0.00 0.00 7.05 7.69 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 17 P 0.00 4.65 0.00 2.28 2.02 0.00 3.95 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 2.03 2.06 0.00 18 G 7.85 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 0.00 0.00 0.00 19 P 0.00 4.86 0.00 2.09 2.00 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 20 G 9.05 4.45 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 0.00 21 G 8.85 4.60 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 22 Y 8.28 5.55 0.00 3.23 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 23 G 9.60 4.61 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 0.00 24 A 9.71 5.54 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 25 I 9.16 5.16 2.15 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 1.31 0.84 1.06 0.00 0.00 26 L 9.36 5.18 0.00 1.77 1.67 0.91 0.38 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 27 R 9.31 5.19 0.00 1.98 1.89 0.00 3.33 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 28 Y 8.83 4.76 0.00 3.02 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 29 R 9.47 3.30 0.00 1.05 1.62 0.00 3.22 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.98 0.00 30 G 8.45 4.05 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 0.00 0.00 0.00 31 R 7.74 4.18 0.00 1.89 1.97 0.00 3.13 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 32 E 8.57 5.34 0.00 1.87 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 0.00 2.27 2.33 0.00 33 K 9.36 4.62 0.00 1.75 1.45 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.44 7.81 34 T 8.22 5.13 4.14 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 1.27 0.00 0.00 35 F 9.13 4.87 0.00 3.13 3.20 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 0.00 36 S 8.89 4.90 0.00 3.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.03 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.38 4.38 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 0.00 39 Y 9.18 5.34 0.00 2.88 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 40 T 9.00 3.98 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 1.27 0.00 0.00 41 R 7.88 4.74 0.00 1.88 1.97 0.00 3.35 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 42 T 8.57 3.98 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 1.15 0.00 0.00 43 T 7.78 4.75 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 0.73 0.00 0.00 44 N 8.67 4.24 0.00 2.71 2.87 0.00 0.00 6.81 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 45 N 7.86 4.10 0.00 2.29 1.63 0.00 0.00 7.06 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 46 R 7.78 3.86 0.00 1.77 1.79 0.00 3.31 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 47 M 8.09 4.18 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 48 E 8.48 4.01 0.00 2.24 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 2.41 2.62 0.00 49 L 7.97 3.75 0.00 1.87 1.55 -0.16 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.50 3.81 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 51 A 8.11 3.58 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 52 V 7.27 3.54 2.30 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 1.29 0.00 0.00 1.14 0.00 0.00 53 I 7.72 3.63 1.89 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.85 0.00 0.00 54 V 7.77 3.40 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 0.88 0.00 0.00 0.63 0.00 0.00 55 A 7.27 3.52 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 56 L 7.78 3.92 0.00 1.67 1.68 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.32 3.99 0.00 1.96 1.97 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 2.32 2.46 0.00 58 A 7.27 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.06 4.01 0.00 1.67 1.53 0.50 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.57 4.45 0.00 1.69 1.80 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.34 7.81 61 E 7.48 4.67 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 62 H 8.61 4.32 0.00 3.06 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.97 5.09 0.00 2.75 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 64 E 9.02 4.91 0.00 1.87 1.83 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 2.25 2.23 0.00 65 V 8.71 4.70 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 0.50 0.00 0.00 0.74 0.00 0.00 66 I 8.34 4.57 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.39 0.72 0.00 0.00 67 L 8.34 4.66 0.00 0.97 0.70 0.55 0.69 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 68 S 8.74 5.52 0.00 3.69 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 69 T 8.45 5.09 4.45 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 1.69 0.00 0.00 70 D 8.87 5.51 0.00 3.00 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 71 S 8.15 4.41 0.00 4.10 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 72 Q 8.78 3.90 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 73 Y 8.14 4.34 0.00 3.11 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 74 V 8.09 3.79 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 1.10 0.00 0.00 1.04 0.00 0.00 75 R 7.83 2.51 0.00 1.00 1.53 0.00 2.42 0.00 0.00 2.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 76 Q 8.23 3.44 0.00 1.95 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 77 G 7.96 2.90 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 78 I 7.22 3.55 1.43 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.42 0.00 0.00 79 T 7.29 3.98 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 0.95 0.00 0.00 80 Q 7.17 3.88 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 81 W 6.55 4.33 0.00 1.78 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 0.00 0.00 0.00 0.00 82 I 7.16 3.34 1.71 0.00 0.00 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 1.63 1.10 0.87 0.00 0.00 83 H 7.98 4.06 0.00 3.33 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.39 4.21 0.00 2.45 2.73 0.00 0.00 7.13 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 85 W 7.82 4.28 0.00 2.95 2.37 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 86 K 7.42 3.13 0.00 1.72 1.68 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.25 0.74 7.81 87 K 7.33 3.87 0.00 1.74 1.84 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.67 7.81 88 R 7.73 4.49 0.00 1.84 1.92 0.00 3.40 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 89 G 8.20 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.44 3.63 0.00 3.48 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 91 K 7.56 4.99 0.00 1.75 1.73 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.60 7.81 92 T 8.38 4.33 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 1.19 0.00 0.00 93 A 8.45 3.94 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 94 D 8.02 4.54 0.00 2.79 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 95 K 8.11 3.93 0.00 1.93 1.99 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.54 7.81 96 K 7.99 4.29 0.00 1.95 1.69 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81 97 P 0.00 4.71 0.00 1.90 1.97 0.00 3.67 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 2.01 2.08 0.00 98 V 8.39 3.41 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 -0.28 0.00 0.00 -0.04 0.00 0.00 99 K 8.61 4.02 0.00 1.85 1.85 0.00 2.11 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.55 7.81 100 N 9.12 4.49 0.00 3.21 2.87 0.00 0.00 6.88 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 0.00 101 V 7.66 3.60 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 0.88 0.00 0.00 0.56 0.00 0.00 102 D 8.02 4.23 0.00 2.82 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 0.00 103 L 7.67 3.92 0.00 1.55 1.46 0.78 0.85 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 0.00 104 W 8.15 4.41 0.00 3.40 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 0.00 105 Q 8.24 3.75 0.00 1.76 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.87 3.88 0.00 2.11 1.96 0.00 3.06 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 107 L 8.34 4.09 0.00 1.87 2.06 1.14 1.31 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 0.00 108 D 8.65 4.57 0.00 3.37 3.10 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 0.00 109 A 8.05 4.12 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 0.00 110 A 7.66 4.26 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 0.00 111 L 8.38 4.20 0.00 2.04 1.95 1.21 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.79 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 0.00 113 Q 7.82 4.42 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.65 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 114 H 7.23 4.95 0.00 2.92 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.85 4.40 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 116 I 8.15 4.50 1.67 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 0.93 0.45 -0.40 0.00 0.00 117 K 8.76 4.31 0.00 1.65 1.49 0.00 1.56 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.31 7.81 118 W 8.54 4.32 0.00 2.51 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 0.00 0.00 0.00 0.00 119 E 8.63 4.28 0.00 1.68 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 0.00 2.00 2.23 0.00 120 W 8.05 5.11 0.00 3.23 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 0.00 121 V 8.90 4.45 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 0.86 0.00 0.00 0.77 0.00 0.00 122 K 8.92 4.35 0.00 1.79 1.82 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.40 7.81 123 G 8.88 4.09 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 0.00 0.00 0.00 124 H 8.76 4.45 0.00 3.29 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.05 4.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.23 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 0.00 127 H 8.16 4.97 0.00 3.34 3.43 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.26 0.00 2.17 2.26 0.00 3.63 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 1.97 2.00 0.00 129 E 7.76 3.71 0.00 1.16 1.16 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 1.47 2.02 0.00 130 N 7.98 4.40 0.00 2.96 2.92 0.00 0.00 6.76 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 0.00 131 E 8.01 3.59 0.00 1.96 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 2.30 2.35 0.00 132 R 8.22 3.91 0.00 1.86 2.02 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 8.33 4.20 0.00 3.26 3.25 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 0.00 134 D 8.29 4.39 0.00 3.12 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 0.00 135 E 8.30 4.02 0.00 2.22 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 2.34 2.52 0.00 136 L 8.06 3.97 0.00 1.93 1.73 0.96 0.87 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 A 8.17 4.12 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 0.00 138 R 7.96 3.93 0.00 1.82 2.02 0.00 3.19 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 139 A 8.22 4.11 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 0.00 140 A 8.32 3.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.90 4.17 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 0.00 142 M 7.66 4.25 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 143 N 7.70 5.03 0.00 2.63 2.67 0.00 0.00 7.03 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 0.00 144 P 0.00 4.41 0.00 2.18 2.12 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 145 T 8.24 4.43 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 1.16 0.00 0.00 146 L 7.52 4.57 0.00 0.83 1.23 0.54 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 4.88 0.00 1.95 1.90 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 2.29 2.34 0.00 148 D 8.61 4.82 0.00 2.71 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 0.00 149 T 8.31 3.95 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 1.23 0.00 0.00 150 G 7.92 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 0.00 151 Y 7.79 4.27 0.00 2.98 3.10 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 0.00 152 Q 8.45 4.11 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 153 V 7.83 3.60 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 0.72 0.00 0.00 0.62 0.00 0.00