NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3883 8.3044 120.3483 55.2213 33.5988 174.1792 2 E 4.2568 8.4501 125.1181 55.0868 31.0622 173.5049 3 L 5.2346 8.6856 125.9581 53.6215 45.4782 175.1186 4 T 4.8230 8.9123 115.4255 61.1369 71.1799 172.1509 5 T 5.2767 8.5285 109.5816 60.2249 72.0641 173.1375 6 R 4.7511 8.8709 121.5525 55.1384 34.3326 173.5709 7 T 4.9802 8.3644 120.2884 61.6807 70.7024 174.0374 8 L 4.3550 9.1154 128.1406 53.4393 42.6866 175.5826 9 P 4.5985 0.0000 0.0000 62.2730 32.1002 176.2962 10 A 4.0332 8.4512 121.6134 54.3215 18.3925 177.8487 11 R 4.1871 7.6519 116.6602 55.0300 29.7318 175.7390 12 K 4.4231 8.4977 125.1855 56.3898 34.1670 176.1636 13 H 5.2393 9.6725 120.9534 54.8149 30.2579 173.8899 14 I 5.0162 9.3654 125.4596 59.5487 39.5368 174.7527 15 A 5.1633 9.1074 129.2991 50.4425 21.1148 175.5698 16 L 5.0342 9.0420 123.1852 52.9272 44.4331 175.9208 17 V 4.6571 8.9106 123.7367 61.1054 35.1039 174.0429 18 A 5.3622 8.4049 127.3469 51.0587 22.4996 175.7798 19 H 4.7902 9.3463 118.8732 55.3994 30.1684 176.3644 20 D 4.4350 9.2138 120.9280 58.3659 40.6569 179.0222 21 H 4.5039 8.3438 111.8378 57.2468 29.0204 176.0014 22 C 4.8417 8.6031 116.9717 59.0682 29.0657 175.6757 23 K 4.1001 8.1252 124.1913 60.2992 31.7169 179.5983 24 Q 4.1064 8.1564 120.3822 60.5284 28.0414 180.0375 25 M 4.3659 8.1015 119.7536 58.4923 32.3192 177.9861 26 L 4.2108 8.3359 120.6476 58.1729 42.1523 178.6714 27 M 4.1158 8.5960 119.2216 58.6665 31.8926 178.8628 28 S 4.1685 8.2744 115.0434 61.4625 62.9675 176.6072 29 W 4.1682 8.4012 130.9969 60.4283 30.2123 178.2523 30 V 3.4776 8.3166 117.7246 66.1178 31.2401 177.5770 31 E 4.0580 8.5035 118.6907 59.3894 29.0235 179.3313 32 R 3.8212 8.0953 118.2855 58.6828 30.2118 176.8390 33 H 4.6070 7.1991 113.4242 55.3159 29.5620 175.4192 34 Q 3.8811 7.6643 123.4393 59.2552 28.4104 177.0717 35 P 4.1832 0.0000 0.0000 65.6768 31.6001 177.9569 36 L 4.1723 7.7265 118.2706 58.0918 42.2553 178.7539 37 L 4.1859 8.2178 119.0794 57.5227 41.2701 178.8972 38 E 4.0845 8.2528 118.4644 58.4737 29.6247 177.8130 39 Q 4.2799 7.9517 116.0591 56.5188 29.3154 174.2349 40 H 4.9697 7.7719 116.5058 53.7725 32.7743 173.0235 41 V 4.1732 8.5349 119.3225 61.8496 32.7991 174.5274 42 L 5.2226 8.3324 127.7649 53.6586 43.9269 175.1616 43 Y 5.2444 9.1408 119.9409 56.6898 42.6062 174.0633 44 A 5.1987 8.7452 121.4043 52.1929 23.5574 175.9904 45 T 4.0924 8.4182 109.8519 61.0654 70.5701 175.2357 46 G 3.8859 9.1086 107.5657 49.0681 0.0000 176.0783 47 T 3.9125 7.7223 116.7758 65.9979 68.7733 176.9356 48 T 3.9767 7.9871 117.2516 66.7198 68.5718 176.4693 49 G 3.7281 8.4055 107.8167 48.2059 0.0000 175.3772 50 N 4.4148 8.1456 118.6609 55.9038 38.4250 177.6383 51 L 4.0474 8.0898 120.5089 57.6454 41.6201 179.6048 52 I 3.7155 8.0142 120.1414 64.5220 37.0650 178.7234 53 S 4.3227 8.2071 117.5545 62.1585 62.5890 177.2509 54 R 3.9290 8.0838 122.9319 60.2963 29.1615 180.3262 55 A 4.6702 7.5958 117.8919 53.7227 19.9838 178.3185 56 T 4.3643 8.2680 106.4045 60.8956 69.9691 176.0870 57 G 3.9105 8.1792 109.2494 45.8447 0.0000 173.8679 58 M 4.1790 7.7878 119.0343 54.9072 32.5444 175.4420 59 N 4.5863 8.4600 119.9360 52.7043 39.4647 174.3654 60 V 4.4054 8.0834 125.3892 61.1649 34.4130 175.1825 61 N 4.6368 8.9737 126.0208 52.4803 38.3449 173.1627 62 A 4.7620 8.2836 125.2384 51.7512 19.5683 176.7922 63 M 4.6300 8.7572 123.9664 54.2455 35.5545 175.8158 64 L 4.2108 8.8623 120.0118 55.0335 43.4225 176.8832 65 S 4.3873 8.6579 115.2779 58.5933 63.4304 174.9635 66 G 3.8153 9.1097 112.8065 47.9541 0.0000 174.2936 67 P 4.1932 0.0000 0.0000 64.3311 31.4096 177.5572 68 M 4.4255 7.8453 115.1836 54.6384 32.7328 175.6103 69 G 3.7454 7.9874 107.9544 45.3285 0.0000 176.4974 70 G 3.6430 8.6790 108.6598 48.0496 0.0000 175.6601 71 D 4.3059 8.0101 120.5915 57.2158 40.8665 178.7062 72 Q 3.9990 7.9774 118.1402 58.6882 28.8023 178.4716 73 Q 3.9401 7.8999 119.1941 58.8550 28.6825 178.8706 74 V 3.5799 7.8484 119.3667 65.8931 31.5899 178.2008 75 G 3.5856 8.3448 105.5825 47.7491 0.0000 175.4162 76 A 3.9389 8.3621 123.5753 54.8766 18.3282 179.6642 77 L 3.7566 7.8462 117.4071 57.8742 41.6458 179.8303 78 I 3.5158 7.8009 120.0687 64.4097 36.8803 178.7501 79 S 2.7900 7.6452 113.3043 60.4232 62.8382 175.3310 80 E 4.0022 7.4361 119.9242 55.5938 29.4100 176.8309 81 G 3.6295 7.2136 107.0174 46.2865 0.0000 174.7560 82 K 4.1474 7.9535 118.0481 55.8366 32.7592 176.6607 83 I 4.3713 7.2788 119.6630 59.5033 39.6835 174.7017 84 D 4.8157 9.0335 124.7546 54.9417 42.5781 177.1320 85 V 4.7174 7.6503 117.3812 60.9314 35.5954 173.6401 86 L 5.0827 8.9596 128.9855 53.4180 44.8859 174.9648 87 I 4.6355 8.9374 128.3136 59.7973 39.1880 174.5975 88 F 5.3447 9.4140 131.4249 56.5935 41.2734 173.4104 89 F 5.6090 9.4515 127.2623 56.1460 37.7806 175.0511 90 W 4.5172 7.8533 119.1856 55.2429 29.9432 176.3133 91 D 4.4080 9.0990 121.8209 53.0505 40.2346 174.2302 92 P 4.4946 0.0000 0.0000 63.3520 31.6848 176.4617 93 L 4.7715 8.1892 117.7837 54.3888 42.5176 175.7520 94 N 4.9485 7.8284 114.3801 51.5757 42.5396 173.7857 95 A 4.3602 8.5093 124.8601 51.5591 19.9650 177.1761 96 V 4.4412 8.0838 116.0686 58.4730 33.9037 175.1100 97 P 4.3101 0.0000 0.0000 65.9173 31.3026 176.8179 98 H 4.8833 7.9811 114.2958 55.3433 29.9948 176.7036 99 D 4.2684 7.8476 123.0728 58.2260 40.9796 175.3803 100 P 4.2021 0.0000 0.0000 66.0502 31.1620 178.0827 101 D 4.3423 8.0781 118.1175 56.9768 40.8059 178.6482 102 V 3.8159 7.7609 118.5856 66.2407 31.5680 178.3249 103 K 3.8224 8.2549 118.1567 59.2323 31.8259 179.3044 104 A 3.9824 8.3227 121.5494 54.8663 18.2831 179.4642 105 L 3.9195 8.1236 118.8945 58.4556 42.1344 179.2912 106 L 4.0922 7.9642 118.9045 57.6673 41.3933 179.5522 107 R 3.8851 8.1039 118.9065 59.3108 29.9692 178.6319 108 L 4.0300 8.1232 118.6134 57.8510 41.5636 179.3227 109 A 4.1661 8.2642 120.6117 55.2926 18.3147 179.9810 110 T 3.8917 7.6736 114.3249 66.6312 68.4481 177.1693 111 V 3.3587 7.6307 119.2942 65.8666 31.4490 176.8381 112 W 4.3730 8.3811 116.2460 56.1159 29.2555 175.6646 113 N 4.1684 7.6639 116.2971 54.8957 37.1239 173.2728 114 I 4.6975 7.2872 110.0996 58.2279 41.0393 175.1992 115 P 4.4668 0.0000 0.0000 63.2149 32.2637 175.4257 116 V 5.1366 8.4989 122.9562 61.0524 34.7809 174.2271 117 A 4.9373 9.1543 128.6993 50.4245 21.6989 176.4481 118 T 5.3820 9.0863 110.3623 60.5511 70.1622 173.8521 119 N 4.2064 7.4453 119.2254 50.2709 41.4584 175.0196 120 V 3.3984 7.5983 120.1406 66.1342 31.5019 177.9474 121 A 4.1112 7.8364 119.8354 55.7240 18.2996 179.6593 122 T 3.8880 8.5142 114.1859 66.4016 68.4212 177.0469 123 A 3.9855 7.9948 122.8541 55.2612 18.3672 179.4133 124 D 4.5819 8.7470 117.8242 57.7432 40.7315 179.0070 125 F 3.9170 8.2906 117.0899 60.5084 39.1845 177.6757 126 I 3.9787 8.0697 119.3323 64.5845 36.8579 178.4468 127 I 2.6489 7.7123 117.7887 63.2917 37.7993 176.9812 128 Q 4.2102 7.7325 116.6384 55.3562 29.5128 176.0375 129 S 4.2708 7.6487 116.7482 57.3503 63.1834 172.7775 130 P 4.2247 0.0000 0.0000 66.2286 31.3114 176.8481 131 H 5.0647 8.0170 111.8978 55.1694 28.7201 176.7046 132 F 4.2194 8.3423 123.2533 60.3113 39.2495 175.4329 133 N 4.8266 8.2393 115.1834 53.1312 38.7998 173.4147 134 D 5.0617 7.7546 118.8539 52.0978 44.4879 175.0795 135 A 4.7861 8.4020 122.0545 51.7967 19.4142 177.4899 136 V 4.4498 8.5489 121.6618 59.8816 34.9604 174.4466 137 D 5.2494 8.8161 124.4394 53.7352 41.7755 175.7050 138 I 4.6791 8.7898 117.0395 58.9158 41.0545 174.4776 139 L 5.0392 8.5070 124.2986 54.3023 42.5430 176.1243 140 I 4.9002 8.7576 116.7951 57.9268 41.4573 173.0431 141 P 4.5182 0.0000 0.0000 63.2420 32.1236 176.8461 142 D 4.6968 9.3286 122.4845 53.0840 40.3015 176.2097 143 Y 4.2614 8.7183 129.2193 61.0872 39.0668 177.9247 144 Q 4.0826 8.5821 123.4438 61.2109 28.2009 181.4267 145 R 4.1693 7.9698 122.8533 61.1118 29.2516 180.1249 146 Y 4.1531 7.9999 120.0585 60.6836 38.7473 178.0205 147 L 3.3946 8.1188 121.2611 57.7876 41.9460 178.6751 148 A 3.9222 7.8866 120.8045 55.2738 18.0391 179.3898 149 D 4.2537 7.5469 116.1346 57.4038 40.9516 178.9263 150 R 3.9176 7.2563 117.7200 58.0379 30.0956 177.8825 151 L 4.5295 7.2241 118.9540 55.1139 42.5372 177.7459 152 K 4.2145 7.4857 128.6802 57.1118 31.7747 181.8006 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 4.39 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 E 8.45 4.26 0.00 2.24 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 2.35 2.48 0.00 3 L 8.69 5.23 0.00 1.54 1.54 0.91 0.80 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 4 T 8.91 4.82 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 1.36 0.00 0.00 5 T 8.53 5.28 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 1.23 0.00 0.00 6 R 8.87 4.75 0.00 1.90 1.79 0.00 3.02 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 7 T 8.36 4.98 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 1.24 0.00 0.00 8 L 9.12 4.35 0.00 1.53 1.56 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.60 0.00 2.28 2.07 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 10 A 8.45 4.03 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 11 R 7.65 4.19 0.00 1.72 1.82 0.00 3.21 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 12 K 8.50 4.42 0.00 1.55 1.60 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.39 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 0.50 7.81 13 H 9.67 5.24 0.00 3.18 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.37 5.02 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 1.07 0.00 0.00 15 A 9.11 5.16 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 16 L 9.04 5.03 0.00 1.55 1.55 1.01 0.69 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 17 V 8.91 4.66 1.60 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 0.69 0.00 0.00 0.65 0.00 0.00 18 A 8.40 5.36 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 19 H 9.35 4.79 0.00 3.28 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.21 4.44 0.00 2.77 2.75 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 21 H 8.34 4.50 0.00 3.36 3.38 0.00 5.84 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 22 C 8.60 4.84 0.00 3.22 3.05 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 23 K 8.13 4.10 0.00 1.97 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.70 7.81 24 Q 8.16 4.11 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 25 M 8.10 4.37 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 26 L 8.34 4.21 0.00 1.78 1.84 0.21 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.60 4.12 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.98 0.00 28 S 8.27 4.17 0.00 4.15 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 29 W 8.40 4.17 0.00 3.74 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 30 V 8.32 3.48 2.38 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 0.92 0.00 0.00 1.21 0.00 0.00 31 E 8.50 4.06 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 32 R 8.10 3.82 0.00 1.85 1.88 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.48 0.00 33 H 7.20 4.61 0.00 2.44 2.83 0.00 5.70 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.66 3.88 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 35 P 0.00 4.18 0.00 2.02 2.09 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 36 L 7.73 4.17 0.00 1.75 1.77 1.16 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.22 4.19 0.00 1.69 1.74 0.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.25 4.08 0.00 2.15 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 2.31 2.34 0.00 39 Q 7.95 4.28 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.43 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 40 H 7.77 4.97 0.00 3.11 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.53 4.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.87 0.00 0.00 42 L 8.33 5.22 0.00 1.73 1.58 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.14 5.24 0.00 2.83 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 44 A 8.75 5.20 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 45 T 8.42 4.09 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 1.16 0.00 0.00 46 G 9.11 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 47 T 7.72 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 1.23 0.00 0.00 48 T 7.99 3.98 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 1.25 0.00 0.00 49 G 8.41 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.15 4.41 0.00 2.89 2.88 0.00 0.00 7.07 6.51 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 51 L 8.09 4.05 0.00 1.87 1.74 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.01 3.72 2.02 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 1.62 0.85 0.94 0.00 0.00 53 S 8.21 4.32 0.00 4.10 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 54 R 8.08 3.93 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 55 A 7.60 4.67 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 56 T 8.27 4.36 4.39 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 1.27 0.00 0.00 57 G 8.18 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 M 7.79 4.18 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 59 N 8.46 4.59 0.00 2.64 2.69 0.00 0.00 6.73 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 60 V 8.08 4.41 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 0.87 0.00 0.00 0.92 0.00 0.00 61 N 8.97 4.64 0.00 2.28 2.66 0.00 0.00 6.51 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.28 4.76 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 63 M 8.76 4.63 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 64 L 8.86 4.21 0.00 1.74 1.58 0.91 0.77 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 65 S 8.66 4.39 0.00 3.90 3.72 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 66 G 9.11 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 67 P 0.00 4.19 0.00 1.97 2.01 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 68 M 7.85 4.43 0.00 1.97 2.08 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 2.54 2.52 0.00 69 G 7.99 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 70 G 8.68 3.64 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 0.00 0.00 0.00 71 D 8.01 4.31 0.00 2.74 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 72 Q 7.98 4.00 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 73 Q 7.90 3.94 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 74 V 7.85 3.58 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 0.97 0.00 0.00 0.91 0.00 0.00 75 G 8.34 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.85 3.76 0.00 1.72 1.47 0.70 0.47 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 78 I 7.80 3.52 1.98 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 1.50 0.83 0.92 0.00 0.00 79 S 7.65 2.79 0.00 3.90 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 80 E 7.44 4.00 0.00 1.97 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 0.00 2.14 2.16 0.00 81 G 7.21 3.63 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 0.00 0.00 0.00 0.00 82 K 7.95 4.15 0.00 1.59 1.60 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.21 7.81 83 I 7.28 4.37 1.72 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.90 0.00 0.00 84 D 9.03 4.82 0.00 2.52 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 85 V 7.65 4.72 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 1.22 0.00 0.00 1.05 0.00 0.00 86 L 8.96 5.08 0.00 1.81 1.53 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.94 4.64 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.07 0.00 0.00 88 F 9.41 5.34 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 9.45 5.61 0.00 2.94 2.87 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 90 W 7.85 4.52 0.00 3.06 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 91 D 9.10 4.41 0.00 2.80 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 92 P 0.00 4.49 0.00 1.91 1.15 0.00 3.48 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.43 0.00 93 L 8.19 4.77 0.00 1.54 1.61 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.83 4.95 0.00 2.79 2.65 0.00 0.00 7.03 7.35 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 95 A 8.51 4.36 1.25 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 0.00 0.00 96 V 8.08 4.44 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 0.80 0.00 0.00 0.88 0.00 0.00 97 P 0.00 4.31 0.00 2.22 2.23 0.00 3.80 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 2.10 2.02 0.00 98 H 7.98 4.88 0.00 3.55 3.55 0.00 5.48 0.00 0.00 0.00 0.00 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.85 4.27 0.00 2.93 2.68 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 0.00 0.00 0.00 100 P 0.00 4.20 0.00 2.30 2.29 0.00 3.63 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 2.09 2.06 0.00 101 D 8.08 4.34 0.00 3.04 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 0.00 102 V 7.76 3.82 2.17 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 0.67 0.00 0.00 1.20 0.00 0.00 103 K 8.25 3.82 0.00 1.90 1.76 0.00 1.30 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.33 1.30 7.81 104 A 8.32 3.98 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 0.00 105 L 8.12 3.92 0.00 1.89 1.99 0.89 0.16 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 0.00 106 L 7.96 4.09 0.00 1.80 1.67 0.33 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.10 3.89 0.00 2.00 2.07 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 108 L 8.12 4.03 0.00 2.07 1.84 1.02 0.95 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 0.00 109 A 8.26 4.17 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 0.00 110 T 7.67 3.89 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 1.19 0.00 0.00 111 V 7.63 3.36 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 -0.02 0.00 0.00 0.85 0.00 0.00 112 W 8.38 4.37 0.00 3.41 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 0.00 113 N 7.66 4.17 0.00 2.84 2.94 0.00 0.00 6.94 7.34 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 0.00 114 I 7.29 4.70 2.14 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 1.32 0.90 0.97 0.00 0.00 115 P 0.00 4.47 0.00 2.23 2.15 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 116 V 8.50 5.14 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 0.91 0.00 0.00 1.05 0.00 0.00 117 A 9.15 4.94 1.25 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 0.00 0.00 118 T 9.09 5.38 4.31 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 1.45 0.00 0.00 119 N 7.45 4.21 0.00 2.62 2.56 0.00 0.00 5.83 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 0.00 120 V 7.60 3.40 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 1.35 0.00 0.00 0.74 0.00 0.00 121 A 7.84 4.11 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 0.00 122 T 8.51 3.89 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 1.23 0.00 0.00 123 A 7.99 3.99 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 0.00 124 D 8.75 4.58 0.00 3.07 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 0.00 125 F 8.29 3.92 0.00 3.25 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 0.00 126 I 8.07 3.98 2.09 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 1.53 0.99 1.06 0.00 0.00 127 I 7.71 2.65 1.89 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.30 0.76 0.00 0.00 128 Q 7.73 4.21 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 129 S 7.65 4.27 0.00 4.23 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 0.00 130 P 0.00 4.22 0.00 1.85 2.05 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 131 H 8.02 5.06 0.00 3.26 3.33 0.00 5.90 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 0.00 132 F 8.34 4.22 0.00 3.25 3.23 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 0.00 133 N 8.24 4.83 0.00 2.80 2.85 0.00 0.00 6.81 8.06 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 0.00 134 D 7.75 5.06 0.00 2.65 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 0.00 135 A 8.40 4.79 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 0.00 136 V 8.55 4.45 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 137 D 8.82 5.25 0.00 2.59 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 0.00 138 I 8.79 4.68 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 1.42 0.99 0.95 0.00 0.00 139 L 8.51 5.04 0.00 1.57 1.65 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.76 4.90 2.21 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 1.17 0.00 0.00 141 P 0.00 4.52 0.00 1.76 1.78 0.00 3.49 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 0.71 1.06 0.00 142 D 9.33 4.70 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 8.72 4.26 0.00 3.40 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 0.00 144 Q 8.58 4.08 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 145 R 7.97 4.17 0.00 1.79 1.97 0.00 3.24 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 146 Y 8.00 4.15 0.00 3.00 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 0.00 147 L 8.12 3.39 0.00 1.03 1.33 0.83 0.99 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 0.00 148 A 7.89 3.92 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 0.00 149 D 7.55 4.25 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.26 3.92 0.00 1.58 1.80 0.00 3.06 0.00 0.00 2.73 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.95 0.00 151 L 7.22 4.53 0.00 1.48 1.65 0.89 1.00 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 0.00 152 K 7.49 4.21 0.00 1.81 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.34 7.81