NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1683 8.0549 120.3154 61.5343 32.7842 174.1302 2 L 4.4873 8.0815 119.7593 50.8822 44.0644 176.0027 3 S 4.4872 10.5677 117.6509 57.7427 66.2034 174.7192 4 E 4.2598 8.9223 122.7866 59.6615 29.2069 179.2031 5 G 3.6656 8.0928 105.0603 47.9731 0.0000 175.4011 6 E 3.9556 8.0229 120.9518 58.8281 29.3361 179.4828 7 W 4.2160 8.5285 119.4346 59.8824 28.9917 178.6362 8 Q 4.1469 8.3744 118.0732 58.7172 28.0890 178.6745 9 L 4.0320 7.8643 119.9755 57.7713 41.6379 179.6717 10 V 3.7670 7.8982 118.1480 66.1682 31.6850 178.0615 11 L 4.4524 8.5877 118.6238 57.4732 41.2447 178.9115 12 H 4.2157 8.3504 118.4326 59.2364 30.0018 177.1274 13 V 3.7409 8.1636 120.1322 65.3595 31.3657 177.5737 14 W 4.0062 8.7289 128.6629 60.4111 30.1595 177.4745 15 A 4.1608 7.7366 119.5367 55.4569 17.9110 179.5346 16 K 3.9236 7.6716 116.6992 59.2551 32.0264 179.8431 17 V 2.7757 6.9621 118.1816 65.6508 31.1066 177.7310 18 E 3.8266 7.4678 116.9626 59.1247 29.2587 178.9187 19 A 4.1544 7.2330 120.2890 54.1231 19.9652 177.5932 20 D 4.6703 7.8209 116.3295 52.0584 42.2601 175.5820 21 V 3.4491 7.8264 123.2264 65.8345 32.0585 176.6664 22 A 4.1595 8.0703 120.1516 55.0952 18.2514 179.7809 23 G 3.9880 8.0322 104.9732 47.8006 0.0000 175.6185 24 H 4.1616 8.7703 119.6056 58.1966 28.4999 177.8678 25 G 3.7143 8.5124 107.9786 48.3041 0.0000 175.7416 26 Q 3.9615 8.2781 121.3005 58.3215 28.5886 178.6927 27 D 4.3044 7.9221 119.5298 57.2397 40.7779 178.5963 28 I 3.6427 7.8148 120.4065 64.6656 37.1905 178.5028 29 L 3.5346 7.5096 119.5624 57.6330 41.3796 179.6905 30 I 3.8060 7.7714 119.8766 64.0844 36.8829 178.5417 31 R 3.8116 8.1787 119.9956 59.1731 29.8700 178.0158 32 L 4.0863 7.8208 120.2094 58.3814 41.7135 178.8006 33 F 4.6110 7.7972 117.3317 60.8112 38.6732 177.9886 34 K 4.0356 8.0011 116.7866 59.4948 32.0253 179.2965 35 S 4.3315 8.6514 113.4177 59.9418 64.7843 174.7098 36 H 4.9134 8.2277 120.1395 52.8191 30.5268 172.0423 37 P 4.6656 0.0000 0.0000 64.5491 31.2539 178.2800 38 E 4.1012 8.3110 117.7329 59.4496 29.5094 178.9102 39 T 3.7932 7.9835 110.7160 64.3451 68.6129 176.1580 40 L 3.9856 8.1902 123.6062 58.0875 41.7859 178.5130 41 E 3.7574 7.7836 116.4488 59.2306 29.4513 178.9522 42 K 4.2326 8.0769 116.8872 56.5269 32.2123 176.6015 43 F 4.6859 8.3548 119.1399 55.7799 39.8719 175.2416 44 D 4.5606 8.5485 126.7119 56.5894 41.3243 179.2216 45 R 3.8676 7.7992 114.5667 58.6926 29.7527 177.4621 46 F 4.7644 8.1007 118.4125 58.9354 39.8280 178.2455 47 K 3.8856 7.7119 122.4809 58.0051 31.2598 183.0253 48 H 4.4362 8.1731 111.8760 56.6117 28.5768 175.8265 49 L 4.2491 7.9938 121.6999 53.9344 39.9867 176.6241 50 K 4.1595 8.0785 124.7929 58.4005 32.5682 178.2040 51 T 4.7346 7.3961 107.7750 58.7573 73.1463 174.1841 52 E 3.7260 8.6852 121.5953 59.4416 29.4266 178.8584 53 A 3.8904 7.8201 119.3584 55.2703 18.7012 178.9792 54 E 4.0791 8.1184 116.9132 59.2058 29.6681 179.3170 55 M 3.9642 8.6598 120.0993 58.4277 31.8616 178.8830 56 K 3.9369 8.7577 117.9037 58.9052 32.2307 178.3919 57 A 4.2890 7.3641 119.3138 52.0455 19.2741 177.3229 58 S 4.2754 7.5536 115.5913 58.5053 63.3629 175.4949 59 E 4.2262 8.7388 126.3176 60.5824 29.6964 176.5449 60 D 4.6165 8.0189 117.2441 57.6334 41.3956 177.9415 61 L 3.5870 9.1114 121.6796 57.8446 41.9393 178.8588 62 K 3.9181 7.6387 118.3877 59.2391 32.0329 179.0042 63 K 3.9856 8.5887 119.3605 59.7167 31.9578 178.7730 64 H 4.3205 8.5200 118.6629 59.1356 29.8726 177.3240 65 G 3.6630 8.3795 107.8994 47.9722 0.0000 175.7788 66 V 3.6005 7.9030 121.0480 65.9062 31.4573 177.9858 67 T 3.8976 8.5776 116.1979 66.7449 68.2983 176.6189 68 V 3.6293 7.9272 119.8843 66.1563 31.5715 178.1696 69 L 4.2614 7.9228 118.6414 58.1012 41.3464 179.7209 70 T 3.9619 8.0848 115.5895 66.4583 68.4013 176.5405 71 A 3.9534 7.8023 122.7900 55.2087 18.5347 179.1242 72 L 3.6860 8.0522 118.7431 58.3570 41.9749 179.6712 73 G 3.0495 8.2370 105.2127 47.5955 0.0000 175.6096 74 A 3.9863 8.0152 122.6383 54.6466 18.6248 179.5087 75 I 3.7638 7.6602 118.3631 64.6818 37.2480 178.7162 76 L 3.9786 7.6396 119.6407 57.4398 41.1885 179.0740 77 K 4.1040 7.5510 115.8381 57.4800 32.2041 178.2866 78 K 3.9910 7.7450 118.9978 55.5582 33.0690 176.2204 79 K 2.0000 8.0248 118.6964 56.4268 29.6991 175.5925 80 G 4.0349 7.6427 105.1617 45.7826 0.0000 173.0407 81 H 4.5713 8.0885 119.3779 55.4030 27.7700 174.8579 82 H 5.2731 7.2156 113.7009 55.2421 29.7904 176.9776 83 E 4.1275 8.5209 121.0151 61.9981 29.0445 182.8542 84 A 4.2374 8.0348 119.7516 55.2999 18.5542 179.1385 85 E 4.1144 8.0928 116.2871 59.1712 29.7581 179.0945 86 L 3.9707 8.8366 121.5870 57.8354 42.0976 178.3823 87 K 3.7654 8.4952 120.0252 59.6124 31.9581 176.5150 88 P 4.2484 0.0000 0.0000 65.8655 31.1427 178.6064 89 L 4.0704 7.9437 116.9505 57.5680 41.6707 179.1412 90 A 4.1820 8.0638 120.8589 55.1055 18.2895 179.7572 91 Q 3.9217 8.4878 117.1807 59.2588 28.8811 179.1855 92 S 4.1531 8.4579 115.6221 61.2910 63.0389 176.4447 93 G 3.7136 8.5474 108.7476 46.6122 0.0000 175.2478 94 A 2.9566 8.0715 122.5186 53.2078 18.8522 178.5282 95 T 4.1291 7.4592 106.8172 63.5530 70.1952 175.5965 96 K 4.0840 7.7020 119.9558 58.3292 33.0135 177.8291 97 H 4.2033 7.5335 117.3460 56.9917 29.7148 175.8636 98 K 3.1055 7.4254 116.1201 56.9431 28.5224 175.4073 99 I 4.3477 7.4383 118.5367 59.0136 39.0023 175.1366 100 P 4.5560 0.0000 0.0000 62.2118 32.2342 177.3348 101 I 3.7245 8.2135 120.6464 64.4081 36.9768 178.8140 102 K 4.0923 7.7000 121.4016 59.1921 32.0798 178.1909 103 Y 4.2176 7.7523 116.9432 61.2741 37.7929 178.8087 104 L 4.2411 7.9210 119.2719 57.7168 41.6537 179.0938 105 E 4.2074 8.2074 118.4800 58.8057 29.3511 179.3339 106 F 4.5622 7.9552 118.0008 60.7198 38.9808 177.4384 107 I 3.7865 8.0728 118.3300 64.1624 37.7670 177.9550 108 S 4.2149 8.2928 116.1260 61.6453 62.6631 176.3351 109 E 4.0194 8.3330 120.8867 59.6506 29.2726 179.2106 110 A 4.0274 8.0472 120.4623 55.3163 18.3686 179.5426 111 I 3.6644 7.9155 118.1250 64.7137 37.1861 178.5563 112 I 3.8324 7.9068 120.2663 64.8333 37.0626 177.8570 113 H 4.1223 8.4456 118.9614 59.3808 29.5587 177.2987 114 V 3.5211 8.0167 119.9073 66.1176 31.3366 178.0368 115 L 3.7619 7.9098 118.6406 57.8439 41.0373 178.9236 116 H 4.4677 8.0807 117.6469 58.8782 29.9167 177.3294 117 S 4.1547 7.8280 116.4754 61.7080 62.7927 176.5548 118 R 3.9663 7.9224 119.5679 58.1044 30.5285 176.7188 119 H 5.0020 8.1369 115.8058 54.9421 29.9854 173.8100 120 P 4.1253 0.0000 0.0000 66.1200 31.4945 178.8315 121 G 3.9437 8.0562 103.2786 46.7497 0.0000 173.3217 122 D 4.9381 8.6555 118.5306 53.9218 42.6692 175.8489 123 F 5.1418 8.0154 119.8967 56.6604 39.3532 174.0677 124 G 3.9333 7.5666 110.0529 43.7213 0.0000 171.9920 125 A 3.9806 8.3427 120.8966 54.8393 18.1688 179.5640 126 D 4.1592 7.9057 117.0229 56.7651 39.6388 178.6196 127 A 3.9227 7.7633 122.5102 54.4591 18.4334 179.2343 128 Q 3.1037 8.1276 118.6526 58.8026 29.0861 178.6102 129 G 3.4929 8.0790 107.0748 47.5851 0.0000 175.6316 130 A 3.8883 8.0793 123.2616 55.1337 18.3907 179.4497 131 M 4.1060 8.5103 117.1144 58.3685 32.3092 177.9421 132 N 4.3133 8.2659 117.6076 56.6149 39.0731 176.9867 133 K 3.9285 7.8598 119.0935 59.4690 32.1454 179.3011 134 A 3.9256 7.7203 120.5861 55.0523 18.2500 179.6749 135 L 4.1345 8.0392 117.4538 57.4680 41.5564 179.3294 136 E 3.9835 8.2733 119.8586 58.9764 29.5967 178.4178 137 L 3.9741 8.1799 120.5680 58.0984 42.2164 178.5932 138 F 4.0741 8.3555 120.4588 61.6359 39.2977 177.3163 139 R 3.5365 8.2700 117.5643 58.8891 29.8777 179.0362 140 K 3.8539 8.2660 119.7271 59.5207 32.1968 178.7112 141 D 4.2888 7.9756 119.1438 57.2624 40.7564 178.6449 142 I 3.3067 7.3851 119.9784 64.3257 36.9368 178.1107 143 A 3.7056 7.7826 121.3729 55.3059 18.2609 179.4844 144 A 4.0200 7.8990 118.5340 54.7656 18.4384 180.0014 145 K 4.0472 7.8059 116.9938 59.5082 31.9964 179.0744 146 Y 4.4183 8.1668 117.3069 61.0972 37.3361 178.7971 147 K 4.0127 7.8751 119.6010 59.5704 32.0476 179.1055 148 E 4.1687 7.8706 115.8473 59.0208 29.2132 178.1826 149 L 4.5705 7.5664 117.0131 53.9861 42.0465 176.9631 150 G 3.9002 9.2551 107.7610 46.0934 0.0000 173.5936 151 Y 4.5525 9.9041 120.8842 57.9108 39.9963 175.6647 152 Q 4.3278 8.0573 120.2434 56.2543 27.9950 172.8054 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 4.17 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 0.96 0.00 0.00 1.09 0.00 0.00 2 L 8.08 4.49 0.00 0.83 0.90 0.63 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 10.57 4.49 0.00 4.07 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 4 E 8.92 4.26 0.00 2.19 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 0.00 2.44 2.55 0.00 5 G 8.09 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.02 3.96 0.00 2.13 1.66 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 2.19 2.26 0.00 7 W 8.53 4.22 0.00 3.52 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 8 Q 8.37 4.15 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.72 0.00 9 L 7.86 4.03 0.00 1.84 1.76 0.89 1.15 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 7.90 3.77 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 1.27 0.00 0.00 0.87 0.00 0.00 11 L 8.59 4.45 0.00 1.85 1.82 0.99 1.21 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 12 H 8.35 4.22 0.00 3.29 3.63 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 8.16 3.74 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.28 0.00 0.00 14 W 8.73 4.01 0.00 3.63 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 15 A 7.74 4.16 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 16 K 7.67 3.92 0.00 1.49 1.51 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.29 1.40 7.81 17 V 6.96 2.78 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 0.25 0.00 0.00 -0.14 0.00 0.00 18 E 7.47 3.83 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 19 A 7.23 4.15 1.23 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 0.00 0.00 20 D 7.82 4.67 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.45 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 0.91 0.00 0.00 0.90 0.00 0.00 22 A 8.07 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 23 G 8.03 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 24 H 8.77 4.16 0.00 3.04 3.25 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 25 G 8.51 3.71 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 0.00 0.00 0.00 26 Q 8.28 3.96 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 27 D 7.92 4.30 0.00 2.74 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 28 I 7.81 3.64 1.97 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 0.72 0.89 0.00 0.00 29 L 7.51 3.53 0.00 1.44 1.27 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.77 3.81 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.91 0.00 0.00 31 R 8.18 3.81 0.00 1.94 2.12 0.00 3.04 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 32 L 7.82 4.09 0.00 1.73 1.39 1.01 0.82 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 33 F 7.80 4.61 0.00 3.14 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.00 4.04 0.00 2.33 1.84 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.32 7.81 35 S 8.65 4.33 0.00 3.58 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 36 H 8.23 4.91 0.00 3.12 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.85 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 4.67 0.00 2.29 2.34 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.89 0.00 38 E 8.31 4.10 0.00 2.38 2.39 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 2.47 2.62 0.00 39 T 7.98 3.79 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 0.75 0.00 0.00 40 L 8.19 3.99 0.00 1.88 1.69 -0.23 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.78 3.76 0.00 2.47 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 0.00 2.35 2.24 0.00 42 K 8.08 4.23 0.00 1.07 1.38 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.74 7.81 43 F 8.35 4.69 0.00 2.98 2.43 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 44 D 8.55 4.56 0.00 2.65 2.67 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 45 R 7.80 3.87 0.00 1.92 2.01 0.00 2.36 0.00 0.00 2.87 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 0.00 46 F 8.10 4.76 0.00 2.89 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 47 K 7.71 3.89 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.29 7.81 48 H 8.17 4.44 0.00 3.24 3.45 0.00 5.49 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 49 L 7.99 4.25 0.00 1.61 1.62 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.08 4.16 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.36 7.81 51 T 7.40 4.73 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 8.69 3.73 0.00 2.04 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 2.35 2.36 0.00 53 A 7.82 3.89 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 54 E 8.12 4.08 0.00 2.10 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 2.29 2.31 0.00 55 M 8.66 3.96 0.00 1.94 2.25 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 56 K 8.76 3.94 0.00 1.74 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.72 7.81 57 A 7.36 4.29 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 58 S 7.55 4.28 0.00 3.91 3.78 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 59 E 8.74 4.23 0.00 2.02 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 2.30 1.93 0.00 60 D 8.02 4.62 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.11 3.59 0.00 1.24 1.44 0.76 0.05 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 62 K 7.64 3.92 0.00 1.95 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.59 3.99 0.00 2.17 1.94 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 64 H 8.52 4.32 0.00 3.58 3.72 0.00 5.80 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 8.38 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 7.90 3.60 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 67 T 8.58 3.90 4.48 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 1.29 0.00 0.00 68 V 7.93 3.63 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 1.08 0.00 0.00 0.88 0.00 0.00 69 L 7.92 4.26 0.00 1.84 1.93 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.08 3.96 4.42 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 1.25 0.00 0.00 71 A 7.80 3.95 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 72 L 8.05 3.69 0.00 1.55 1.55 0.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.24 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 0.00 0.00 0.00 74 A 8.02 3.99 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 75 I 7.66 3.76 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.91 0.00 0.00 76 L 7.64 3.98 0.00 1.26 1.62 0.08 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.55 4.10 0.00 1.66 1.78 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.47 7.81 78 K 7.74 3.99 0.00 2.05 1.76 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.43 1.34 7.81 79 K 8.02 2.00 0.00 1.14 0.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.41 0.75 7.81 80 G 7.64 4.03 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 0.00 0.00 0.00 81 H 8.09 4.57 0.00 3.13 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.22 5.27 0.00 3.32 3.47 0.00 5.67 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.52 4.13 0.00 1.99 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 2.33 1.98 0.00 84 A 8.03 4.24 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 85 E 8.09 4.11 0.00 2.29 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 2.39 2.43 0.00 86 L 8.84 3.97 0.00 1.83 1.80 0.76 0.20 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 87 K 8.50 3.77 0.00 2.04 1.83 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 88 P 0.00 4.25 0.00 2.15 2.12 0.00 4.08 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 89 L 7.94 4.07 0.00 1.95 1.79 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.06 4.18 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 91 Q 8.49 3.92 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 92 S 8.46 4.15 0.00 3.97 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 0.00 93 G 8.55 3.71 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 0.00 0.00 0.00 94 A 8.07 2.96 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 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.46 4.13 4.13 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 1.16 0.00 0.00 96 K 7.70 4.08 0.00 1.56 1.31 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.41 7.81 97 H 7.53 4.20 0.00 3.11 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.43 3.11 0.00 1.77 1.77 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.84 1.23 7.81 99 I 7.44 4.35 2.09 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 1.43 0.93 1.19 0.00 0.00 100 P 0.00 4.56 0.00 1.87 1.92 0.00 3.28 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.07 0.00 101 I 8.21 3.72 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.07 0.85 0.00 0.00 102 K 7.70 4.09 0.00 1.67 1.51 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.07 7.81 103 Y 7.75 4.22 0.00 3.29 3.08 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 0.00 0.00 0.00 0.00 104 L 7.92 4.24 0.00 1.90 1.85 0.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.21 4.21 0.00 2.14 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 2.36 2.48 0.00 106 F 7.96 4.56 0.00 3.33 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 0.00 107 I 8.07 3.79 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 1.10 0.00 0.00 108 S 8.29 4.21 0.00 4.20 4.01 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 0.00 109 E 8.33 4.02 0.00 2.35 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 0.00 2.68 2.60 0.00 110 A 8.05 4.03 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 0.00 111 I 7.92 3.66 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 1.04 0.00 0.00 112 I 7.91 3.83 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.86 1.11 0.00 0.00 113 H 8.45 4.12 0.00 3.33 3.59 0.00 5.79 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 8.02 3.52 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 1.03 0.00 0.00 1.00 0.00 0.00 115 L 7.91 3.76 0.00 1.35 0.37 0.71 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.08 4.47 0.00 3.51 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.83 4.15 0.00 3.88 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 0.00 118 R 7.92 3.97 0.00 1.60 1.48 0.00 3.10 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 119 H 8.14 5.00 0.00 3.13 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.94 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 4.13 0.00 2.16 2.07 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 121 G 8.06 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 8.66 4.94 0.00 2.68 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 0.00 123 F 8.02 5.14 0.00 2.94 3.08 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 0.00 0.00 0.00 0.00 124 G 7.57 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 0.00 0.00 0.00 125 A 8.34 3.98 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 0.00 126 D 7.91 4.16 0.00 2.86 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 0.00 127 A 7.76 3.92 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 0.00 128 Q 8.13 3.10 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.93 1.16 0.00 129 G 8.08 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.89 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 8.51 4.11 0.00 2.40 2.38 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.85 0.00 132 N 8.27 4.31 0.00 3.05 2.90 0.00 0.00 7.10 6.08 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 0.00 133 K 7.86 3.93 0.00 1.91 1.67 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.61 7.81 134 A 7.72 3.93 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 0.00 135 L 8.04 4.13 0.00 1.80 1.83 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.27 3.98 0.00 2.22 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 2.32 2.33 0.00 137 L 8.18 3.97 0.00 1.87 1.96 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.36 4.07 0.00 3.07 3.32 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 0.00 139 R 8.27 3.54 0.00 1.87 1.87 0.00 3.20 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.00 0.00 140 K 8.27 3.85 0.00 1.96 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 7.98 4.29 0.00 3.02 2.67 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 0.00 142 I 7.39 3.31 1.57 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.18 0.11 0.00 0.00 143 A 7.78 3.71 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 0.00 144 A 7.90 4.02 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 0.00 145 K 7.81 4.05 0.00 1.89 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.60 7.81 146 Y 8.17 4.42 0.00 3.13 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 0.00 147 K 7.88 4.01 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 148 E 7.87 4.17 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 149 L 7.57 4.57 0.00 1.76 1.73 0.97 1.42 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 0.00 150 G 9.26 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 9.90 4.55 0.00 2.53 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 0.00 152 Q 8.06 4.33 0.00 2.11 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.42 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00