NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1521 8.0549 114.0560 61.2896 33.0424 174.0842 2 L 4.4867 8.1658 120.2940 51.1229 44.2139 175.6758 3 S 4.6990 9.6000 118.4570 57.1548 67.0471 174.7104 4 E 4.3516 8.7749 121.6341 59.2482 29.2566 178.9229 5 G 3.5836 8.0372 105.4755 47.8404 0.0000 175.3909 6 E 3.9208 7.9541 121.1410 58.9201 29.4656 179.6365 7 W 4.4134 8.4900 119.3099 59.6411 29.0363 178.4249 8 Q 4.0906 8.3027 119.8108 59.0431 28.5461 178.2105 9 L 4.0314 8.0613 119.9924 57.9297 41.7609 179.6654 10 V 3.7663 7.8789 118.0695 66.2281 31.6399 178.0901 11 L 4.2520 8.3223 118.5841 57.7887 41.2113 178.9450 12 H 4.3104 8.2438 117.9966 58.9970 30.0818 177.3311 13 V 3.6813 7.9515 120.0629 65.8974 31.4953 177.7899 14 W 3.8214 8.4740 127.8484 60.4047 30.1894 177.5659 15 A 4.0952 7.8193 119.6254 55.1525 17.9763 179.4465 16 K 3.9584 7.9696 117.0139 59.1280 31.9783 179.8292 17 V 2.6676 7.0367 118.0744 65.7519 31.2773 177.6864 18 E 3.8996 7.8972 115.9538 58.1605 29.3383 178.4796 19 A 4.1605 7.3118 119.9135 53.7132 19.5596 177.4105 20 D 4.6378 7.9608 116.3519 52.1731 42.8857 176.2289 21 V 3.5503 7.8004 118.2530 64.6256 32.1819 177.9671 22 A 4.1354 8.1547 119.9811 55.3579 18.2291 179.8479 23 G 3.5279 7.9929 104.6793 47.8662 0.0000 175.6219 24 H 4.1837 8.5910 119.3983 58.1504 28.5029 178.2733 25 G 3.5585 8.9541 109.0042 47.7031 0.0000 175.8218 26 Q 3.9241 7.9483 120.5218 58.7864 28.7285 178.4037 27 D 4.2906 7.7863 119.4093 57.6502 40.8364 179.2870 28 I 3.6373 7.6221 119.9137 64.2876 37.0815 178.6323 29 L 3.4168 8.0082 120.0939 57.6630 41.4563 179.6029 30 I 3.7677 8.0720 120.0756 64.3330 37.0746 178.5210 31 R 3.8224 8.2032 120.0330 59.0784 29.8667 178.4201 32 L 3.8457 7.7112 120.4044 58.1554 41.9551 179.0204 33 F 4.5174 7.9687 118.1861 60.3757 38.5707 177.9514 34 K 3.9627 7.9408 117.2885 59.7183 32.0014 179.3552 35 S 4.1907 7.6149 113.6968 60.5485 64.1924 174.6832 36 H 4.7393 7.8842 117.4773 50.5791 29.3333 171.6559 37 P 4.5915 0.0000 0.0000 64.7399 31.4278 177.3448 38 E 4.0734 8.3101 116.1723 59.9056 29.2143 179.3100 39 T 4.1247 7.9648 110.3336 64.0914 68.7300 176.1712 40 L 3.5634 8.0944 123.7671 57.9992 41.7883 178.1743 41 E 4.0119 7.8582 118.2543 59.3500 29.5938 178.1591 42 K 4.0771 7.9738 114.9673 57.7040 32.3448 176.3944 43 F 4.5038 8.2405 119.1479 55.5174 41.1501 176.0774 44 D 4.4145 8.5515 125.5918 56.9959 40.9889 177.7493 45 R 4.1433 7.6293 115.7545 57.5308 30.7606 176.4197 46 F 5.1506 7.2686 116.1962 56.4679 38.7053 175.3405 47 K 4.6788 8.1184 115.5579 56.2580 32.8393 177.3326 48 H 4.8030 7.9471 112.9950 55.6474 31.2318 172.9595 49 L 4.0240 7.7934 119.0803 55.4106 40.7794 175.9168 50 K 4.2553 9.1881 122.8776 58.2905 33.3250 178.6867 51 T 4.1592 7.3229 108.0255 61.3027 70.9569 174.7617 52 E 3.9037 8.5346 120.6124 59.1643 29.8146 178.1159 53 A 3.9563 7.9559 120.3975 55.2852 18.3963 179.2871 54 E 3.9035 8.3180 117.0285 59.8682 29.2947 179.5435 55 M 3.9112 7.3666 117.1694 58.1044 32.0444 178.4753 56 K 4.0037 8.1627 119.1917 58.8014 32.4034 178.0006 57 A 4.4964 7.5019 119.2974 52.0536 19.4481 176.9894 58 S 4.0076 7.6108 112.9641 58.6152 62.8443 174.4620 59 E 3.9577 9.0060 129.0327 59.3938 29.3773 178.0470 60 D 4.3851 8.2265 118.4249 57.5406 41.1572 178.1163 61 L 4.0262 8.0332 120.6121 58.4909 41.9028 179.1855 62 K 3.9713 7.8576 118.8052 59.4677 32.2572 178.9454 63 K 4.0240 8.1529 118.8208 59.9497 32.0102 179.0853 64 H 4.6452 8.8451 117.0037 58.7313 28.2595 178.1126 65 G 3.6637 8.0458 107.4171 47.7055 0.0000 176.0204 66 V 3.6971 7.7955 120.1438 65.9064 31.5393 178.3404 67 T 3.9541 7.8292 115.1574 66.8228 68.2594 176.7638 68 V 3.7156 7.7681 113.7256 64.5361 31.5589 178.4808 69 L 4.3893 7.8678 117.9973 58.3635 41.5936 179.6716 70 T 4.1172 8.1366 115.2810 66.8257 68.4769 176.4244 71 A 3.9660 8.1378 122.2415 55.0641 18.4005 179.3493 72 L 3.6359 8.7324 119.9881 58.1925 42.1346 179.3640 73 G 3.1239 8.8665 106.3054 47.5581 0.0000 175.4511 74 A 3.9900 7.5775 122.0852 55.0367 18.7815 179.5347 75 I 3.7853 7.6544 118.3340 64.4613 37.0938 178.7266 76 L 4.0101 7.9588 120.2671 57.5642 41.1832 179.5101 77 K 3.9847 7.7550 117.1040 58.4543 32.2422 178.6951 78 K 4.0004 7.7349 117.7550 56.0755 32.2274 176.8569 79 K 2.0000 8.5305 118.0768 56.7914 30.0748 175.1463 80 G 3.9196 7.8451 106.7423 46.1081 0.0000 174.9759 81 H 4.5651 7.2457 118.5347 54.5147 27.2181 174.3750 82 H 5.3310 7.4564 111.9571 53.2045 30.0829 175.6557 83 E 3.9248 8.6521 121.8623 60.1794 28.9893 178.7542 84 A 4.0240 7.9809 118.2833 55.2112 18.4577 178.9774 85 E 4.0949 8.0415 116.7753 59.5452 29.6622 179.2841 86 L 4.1462 8.1483 118.8196 57.1230 41.6095 179.1880 87 K 3.8709 7.7658 119.1710 59.2889 32.0040 177.2674 88 P 4.2862 0.0000 0.0000 65.7276 31.2593 177.8242 89 L 3.9845 7.5278 119.9874 58.2191 41.9913 178.8979 90 A 4.1882 8.6973 120.7801 55.0481 18.3984 179.2484 91 Q 3.8611 8.0873 118.3698 59.4813 29.1859 178.9479 92 S 4.0680 8.2657 115.2256 61.9106 63.1664 176.0966 93 H 4.2547 8.5422 119.7925 57.9489 28.4716 177.7250 94 A 2.9460 8.0079 123.1361 54.7521 18.0183 179.6811 95 T 3.8626 7.2730 105.5460 64.4527 69.4455 176.4549 96 K 3.9882 7.8681 122.4876 57.9180 32.3538 176.7652 97 H 4.7345 7.6075 112.1604 54.0387 31.0989 173.2779 98 K 4.4199 7.8131 117.1623 56.1546 29.2241 175.5450 99 I 3.9884 8.2508 118.6364 59.4137 38.4030 175.2910 100 P 4.5555 0.0000 0.0000 62.1175 32.2190 177.6432 101 I 3.4660 8.3392 121.9219 64.2386 36.8887 178.5381 102 K 3.6857 7.9997 120.1647 59.6419 31.7805 178.2059 103 Y 4.1567 8.1189 117.0855 60.9644 37.8870 178.2407 104 L 4.0988 7.8215 119.6343 57.8628 41.7078 179.4844 105 E 3.9731 7.8877 117.8981 59.3935 29.5059 179.0608 106 F 4.5009 7.7935 117.7461 60.9434 38.9847 177.7292 107 I 3.8389 8.2991 118.0856 63.9714 37.6544 178.1299 108 S 4.2142 8.0701 116.2605 61.3201 62.6033 176.0921 109 E 3.9797 8.3717 121.9445 59.3249 29.4508 178.7923 110 A 4.0136 8.1782 120.8278 55.0984 18.3859 179.7701 111 I 3.6858 7.9950 118.5264 64.4848 37.1558 178.6990 112 I 3.7607 8.0080 120.7190 64.7188 36.9866 177.7911 113 H 4.0980 8.3976 119.0958 59.5310 29.7337 177.4194 114 V 3.5391 7.9509 119.8374 65.8719 31.2620 178.0654 115 L 3.7717 7.8249 118.8791 57.7456 41.0456 178.9203 116 H 4.4239 8.0674 117.6910 59.3717 29.9491 176.9516 117 S 4.1555 7.7604 113.1903 60.0973 62.2770 175.0984 118 R 4.1873 7.4171 119.9195 56.8509 32.1045 175.9652 119 H 5.0528 8.2793 114.8402 51.9351 28.3287 171.6752 120 P 4.1195 0.0000 0.0000 66.2754 31.9624 177.8259 121 G 3.9442 7.9375 105.2774 46.2249 0.0000 173.3660 122 D 4.9112 7.9294 118.8922 54.1265 43.1694 175.4482 123 F 5.1798 8.3971 120.5960 55.9937 39.1630 173.7857 124 G 3.8737 7.5879 111.1323 43.5118 0.0000 171.4008 125 A 3.8315 8.4833 121.1345 55.2564 18.0634 179.6113 126 D 4.1802 7.9034 116.7396 56.4788 39.6324 178.5167 127 A 3.9041 7.7084 121.9784 54.8658 18.5730 179.2966 128 Q 3.2533 8.0846 118.3701 58.7015 28.7606 178.7501 129 G 3.4791 7.7011 106.6171 47.5675 0.0000 175.7069 130 A 3.8688 7.9152 123.2739 54.9722 18.3007 179.4474 131 M 4.0340 8.3789 117.0727 58.6582 32.3252 177.9469 132 N 4.3352 8.1630 117.2885 56.5638 39.0228 177.0763 133 K 3.8849 7.7865 119.7905 59.2205 32.1305 179.0851 134 A 3.9291 7.9160 120.9920 55.4144 18.3893 179.8246 135 L 4.0775 8.2604 117.5283 57.6005 41.5784 179.6076 136 E 3.9178 8.1300 119.5784 59.2187 29.6178 178.3414 137 L 3.9640 8.2167 120.7678 58.1680 42.1657 178.5271 138 F 4.1733 8.4433 120.3936 61.5619 39.2509 177.3044 139 R 3.4225 8.1017 117.6053 59.0088 30.0274 179.3167 140 K 3.9031 8.0915 118.5606 60.0133 32.6131 178.9050 141 D 4.4013 8.2926 119.9303 56.5465 40.6095 178.8721 142 I 3.6129 7.1482 120.3152 64.1929 37.1105 177.9823 143 A 3.7216 7.9049 121.6512 55.0204 17.9802 179.4401 144 A 3.9317 7.7858 118.7808 55.5078 18.4793 180.1142 145 K 4.0713 7.6689 115.3451 59.3487 31.9615 179.3289 146 Y 4.0280 8.3656 117.7952 61.2587 37.8165 178.8747 147 K 3.6557 8.5444 119.4238 59.0886 31.8305 179.1750 148 E 3.9591 7.7301 118.9573 59.2414 29.7568 178.3229 149 L 4.3093 7.7384 115.2346 54.7142 41.5952 177.5064 150 G 3.7594 8.2020 107.3155 46.1816 0.0000 173.2961 151 Y 3.7167 8.6642 121.7983 57.5516 37.9616 175.5949 152 Q 4.1966 7.8448 128.3142 53.9527 30.9681 175.2349 153 G 3.5418 8.3458 113.4509 45.6677 0.0000 172.4989 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 V 8.05 4.15 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 0.94 0.00 0.00 0.95 0.00 0.00 2 L 8.17 4.49 0.00 0.43 0.40 0.59 -0.99 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 3 S 9.60 4.70 0.00 3.94 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 4 E 8.77 4.35 0.00 2.19 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 0.00 2.43 2.52 0.00 5 G 8.04 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 6 E 7.95 3.92 0.00 1.95 1.68 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 0.00 2.20 2.25 0.00 7 W 8.49 4.41 0.00 3.54 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.30 4.09 0.00 2.33 2.40 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 2.41 2.58 0.00 9 L 8.06 4.03 0.00 1.96 1.75 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 3.77 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 1.16 0.00 0.00 0.96 0.00 0.00 11 L 8.32 4.25 0.00 1.87 1.80 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.24 4.31 0.00 3.52 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.95 3.68 2.42 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 0.95 0.00 0.00 1.31 0.00 0.00 14 W 8.47 3.82 0.00 3.71 3.13 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 0.00 0.00 0.00 0.00 15 A 7.82 4.10 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 16 K 7.97 3.96 0.00 1.64 1.56 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.25 7.81 17 V 7.04 2.67 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 0.00 0.00 0.23 0.00 0.00 0.31 0.00 0.00 18 E 7.90 3.90 0.00 1.91 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 2.18 2.57 0.00 19 A 7.31 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.96 4.64 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.55 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 0.78 0.00 0.00 0.92 0.00 0.00 22 A 8.15 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.99 3.53 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 0.00 24 H 8.59 4.18 0.00 3.17 3.18 0.00 5.82 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 25 G 8.95 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 3.92 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 27 D 7.79 4.29 0.00 2.61 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 28 I 7.62 3.64 1.85 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 1.46 0.67 0.87 0.00 0.00 29 L 8.01 3.42 0.00 1.54 1.22 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.07 3.77 1.86 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 1.38 0.99 0.88 0.00 0.00 31 R 8.20 3.82 0.00 1.89 2.07 0.00 3.01 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 32 L 7.71 3.85 0.00 1.66 1.31 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.97 4.52 0.00 3.00 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 34 K 7.94 3.96 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.47 7.81 35 S 7.61 4.19 0.00 3.67 3.47 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 36 H 7.88 4.74 0.00 2.77 2.92 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.59 0.00 2.15 2.13 0.00 3.83 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 2.15 0.00 38 E 8.31 4.07 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 39 T 7.96 4.12 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 0.38 0.00 0.00 40 L 8.09 3.56 0.00 1.68 1.90 -0.11 0.55 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 41 E 7.86 4.01 0.00 2.12 2.18 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 2.40 2.44 0.00 42 K 7.97 4.08 0.00 2.21 1.80 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.81 1.92 7.81 43 F 8.24 4.50 0.00 3.09 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 0.00 0.00 0.00 44 D 8.55 4.41 0.00 2.61 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 45 R 7.63 4.14 0.00 1.41 2.08 0.00 2.95 0.00 0.00 2.94 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 46 F 7.27 5.15 0.00 2.85 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 47 K 8.12 4.68 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.44 7.81 48 H 7.95 4.80 0.00 3.22 3.34 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.79 4.02 0.00 1.38 1.45 0.73 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.19 4.26 0.00 1.66 1.78 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.63 7.81 51 T 7.32 4.16 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 52 E 8.53 3.90 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 53 A 7.96 3.96 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 54 E 8.32 3.90 0.00 2.15 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 2.31 2.32 0.00 55 M 7.37 3.91 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 56 K 8.16 4.00 0.00 1.78 1.99 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 57 A 7.50 4.50 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 58 S 7.61 4.01 0.00 3.85 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 59 E 9.01 3.96 0.00 2.14 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 2.40 2.48 0.00 60 D 8.23 4.39 0.00 3.14 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 61 L 8.03 4.03 0.00 1.38 1.77 0.89 -0.13 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 62 K 7.86 3.97 0.00 1.84 1.97 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 8.15 4.02 0.00 1.99 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.71 7.81 64 H 8.85 4.65 0.00 3.48 3.48 0.00 5.64 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 65 G 8.05 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 0.00 0.00 0.00 66 V 7.80 3.70 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 1.06 0.00 0.00 1.01 0.00 0.00 67 T 7.83 3.95 4.53 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 1.32 0.00 0.00 68 V 7.77 3.72 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 1.02 0.00 0.00 1.17 0.00 0.00 69 L 7.87 4.39 0.00 1.77 1.85 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.14 4.12 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 71 A 8.14 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.73 3.64 0.00 1.65 1.76 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.87 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 0.00 0.00 0.00 74 A 7.58 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.79 1.77 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 1.52 1.02 0.90 0.00 0.00 76 L 7.96 4.01 0.00 1.40 1.59 -0.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.76 3.98 0.00 1.82 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.56 7.81 78 K 7.73 4.00 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.63 1.59 7.81 79 K 8.53 2.00 0.00 1.17 0.74 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.48 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.77 1.12 7.81 80 G 7.85 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 0.00 0.00 0.00 81 H 7.25 4.57 0.00 3.08 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.46 5.33 0.00 3.26 3.43 0.00 5.67 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 83 E 8.65 3.92 0.00 2.09 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 2.41 2.44 0.00 84 A 7.98 4.02 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 85 E 8.04 4.09 0.00 2.32 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 2.41 2.47 0.00 86 L 8.15 4.15 0.00 1.83 1.68 0.75 0.88 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 87 K 7.77 3.87 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.70 7.81 88 P 0.00 4.29 0.00 2.29 2.33 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.53 3.98 0.00 2.07 1.82 1.01 1.09 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 90 A 8.70 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.09 3.86 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 92 S 8.27 4.07 0.00 4.05 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 93 H 8.54 4.25 0.00 3.35 3.48 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 94 A 8.01 2.95 0.37 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 95 T 7.27 3.86 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 1.17 0.00 0.00 96 K 7.87 3.99 0.00 1.59 1.85 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.97 1.31 7.81 97 H 7.61 4.73 0.00 3.06 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.81 4.42 0.00 1.89 1.93 0.00 1.80 0.00 0.00 2.38 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.42 7.81 99 I 8.25 3.99 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.40 0.99 0.00 0.00 100 P 0.00 4.56 0.00 1.90 1.92 0.00 2.22 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 101 I 8.34 3.47 1.74 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.13 0.70 0.00 0.00 102 K 8.00 3.69 0.00 1.72 1.76 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.50 1.19 7.81 103 Y 8.12 4.16 0.00 3.24 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 0.00 104 L 7.82 4.10 0.00 1.85 1.76 1.06 0.73 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 0.00 105 E 7.89 3.97 0.00 2.01 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 2.36 2.31 0.00 106 F 7.79 4.50 0.00 3.18 2.81 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 0.00 0.00 0.00 107 I 8.30 3.84 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 1.05 0.00 0.00 108 S 8.07 4.21 0.00 4.23 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 0.00 109 E 8.37 3.98 0.00 2.15 2.27 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 2.38 2.57 0.00 110 A 8.18 4.01 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 0.00 111 I 7.99 3.69 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.99 1.08 0.00 0.00 112 I 8.01 3.76 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.00 1.17 0.00 0.00 113 H 8.40 4.10 0.00 3.32 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.95 3.54 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 0.85 0.00 0.00 0.98 0.00 0.00 115 L 7.82 3.77 0.00 1.08 0.26 0.75 0.61 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 0.00 116 H 8.07 4.42 0.00 3.56 3.64 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.76 4.16 0.00 3.80 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 0.00 118 R 7.42 4.19 0.00 1.97 1.48 0.00 2.95 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 119 H 8.28 5.05 0.00 3.23 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.12 0.00 2.03 2.08 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 121 G 7.94 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 0.00 122 D 7.93 4.91 0.00 2.78 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 0.00 123 F 8.40 5.18 0.00 2.88 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 0.00 124 G 7.59 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.48 3.83 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 0.00 126 D 7.90 4.18 0.00 2.83 2.88 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 0.00 127 A 7.71 3.90 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 0.00 128 Q 8.08 3.25 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 129 G 7.70 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 0.00 130 A 7.92 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.38 4.03 0.00 2.46 2.42 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.86 0.00 132 N 8.16 4.34 0.00 3.02 2.96 0.00 0.00 7.19 6.04 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 0.00 133 K 7.79 3.88 0.00 1.79 1.65 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.55 7.81 134 A 7.92 3.93 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 0.00 135 L 8.26 4.08 0.00 1.76 1.84 1.01 0.92 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 0.00 136 E 8.13 3.92 0.00 2.29 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 2.30 2.31 0.00 137 L 8.22 3.96 0.00 1.85 2.00 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.44 4.17 0.00 3.19 3.22 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 0.00 139 R 8.10 3.42 0.00 1.94 1.80 0.00 3.13 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.03 0.00 140 K 8.09 3.90 0.00 1.98 2.02 0.00 1.18 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.69 7.81 141 D 8.29 4.40 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.15 3.61 1.46 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.04 0.25 0.00 0.00 143 A 7.90 3.72 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 0.00 144 A 7.79 3.93 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 0.00 145 K 7.67 4.07 0.00 2.03 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.65 7.81 146 Y 8.37 4.03 0.00 2.98 3.09 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 0.00 147 K 8.54 3.66 0.00 1.84 1.90 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 148 E 7.73 3.96 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 149 L 7.74 4.31 0.00 1.81 1.68 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.20 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 0.00 151 Y 8.66 3.72 0.00 2.56 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 0.00 152 Q 7.84 4.20 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 153 G 8.35 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 0.00 0.00 0.00 0.00