NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4125 8.2893 120.3486 55.3473 32.9259 174.7464 2 N 4.6433 8.5619 124.1628 51.5525 38.8631 173.0552 3 I 4.5995 8.7804 121.0201 59.6168 41.9930 176.2958 4 I 4.3664 8.3314 123.9284 59.6402 38.4408 175.1156 5 K 4.4538 8.5914 124.7965 54.3815 34.0727 176.2766 6 A 4.5654 8.3817 126.3441 50.8093 20.8880 175.0800 7 N 5.0547 8.2288 117.0443 51.9701 41.4050 174.9399 8 V 3.8717 8.1787 114.3653 62.5390 32.3210 176.7267 9 A 4.1817 8.0732 123.7207 52.0677 18.7127 177.9980 10 A 4.6251 8.3258 122.3413 51.2942 21.4736 174.0661 11 P 4.6891 0.0000 0.0000 64.7570 32.2182 178.8217 12 D 4.7581 8.0819 115.7644 54.2991 40.5346 175.7562 13 A 4.6548 7.6046 124.7294 51.7405 20.3957 178.2585 14 R 4.8275 9.7456 120.8445 55.1149 32.7745 175.9043 15 V 4.9356 8.8269 124.3889 60.0028 34.7463 173.9518 16 A 4.9006 8.4867 128.6955 50.0995 21.4957 175.2167 17 I 4.7622 8.7338 123.8152 59.6237 39.4893 174.6928 18 T 4.8079 8.5999 117.9844 59.9810 70.8101 173.4810 19 I 5.2198 8.3032 126.4146 58.2374 40.5624 174.4275 20 A 5.0526 8.4303 127.9475 51.1783 19.1846 177.9251 21 R 4.4317 9.2922 119.8432 58.5274 30.2229 176.9931 22 F 4.6264 8.2134 121.4337 59.8757 39.7137 174.3315 23 N 4.6674 9.8474 123.9726 54.4972 35.5766 176.1069 24 Q 4.1767 8.3630 120.4596 59.4519 28.0536 177.9406 25 F 3.8978 8.4904 121.4938 61.1873 39.4133 176.5177 26 I 4.1876 8.2084 118.5789 63.8770 37.7678 177.7996 27 N 4.3724 8.3107 116.5868 56.3425 38.2536 177.0245 28 D 4.5692 8.7691 120.8608 57.5420 40.9673 178.7144 29 S 4.0597 7.9571 113.0911 61.0434 62.4510 175.3504 30 L 4.0346 7.8885 123.2481 58.6157 41.6158 178.5220 31 L 3.8516 8.2218 120.0516 57.8347 42.0235 178.4388 32 D 4.5135 8.3510 118.7511 57.4435 40.9269 179.6944 33 G 3.6107 8.1003 105.6265 47.7949 0.0000 175.2885 34 A 3.9174 7.8268 123.3583 54.6799 18.4178 179.3460 35 V 3.4574 7.9450 116.7817 66.3064 31.5474 177.3454 36 D 4.2981 8.1960 117.1672 57.7939 40.9893 177.7110 37 A 3.8780 8.3495 120.8461 55.8637 18.3886 179.0381 38 L 3.8528 8.5304 116.3008 59.2994 41.9082 179.8674 39 T 4.1960 8.3745 111.0048 63.9658 68.6232 176.2427 40 R 3.8602 8.1105 123.8786 58.2997 30.6596 177.9881 41 I 4.0841 7.9979 117.0096 63.4725 37.8174 177.1528 42 G 3.7251 7.9361 106.5286 45.2742 0.0000 173.9918 43 Q 3.7362 8.2266 119.9544 56.5341 27.8194 172.7884 44 V 3.8412 7.4696 116.4831 61.9645 32.2042 175.1868 45 K 4.3720 8.5523 128.7672 56.2138 32.6349 176.5826 46 D 4.6733 8.7900 124.3634 53.9949 39.1855 176.1958 47 D 4.7881 7.9731 117.3027 53.7542 40.2374 176.3263 48 N 4.7197 8.4794 117.7896 53.6221 39.3673 174.0765 49 I 4.9824 7.5866 120.2507 60.2521 38.4442 175.1852 50 T 4.7139 8.8223 117.3087 59.7047 71.9000 173.0094 51 V 4.5916 8.4099 123.6584 61.0657 34.1109 174.5551 52 V 4.3066 9.0173 128.9680 60.7739 33.7303 174.5413 53 W 4.8987 8.9981 129.1309 56.6200 29.5404 176.4924 54 V 4.3541 8.6702 119.1788 59.1027 33.6120 174.7844 55 P 4.3182 0.0000 0.0000 65.1027 31.3350 177.0501 56 G 4.4728 7.9682 108.3626 42.8414 0.0000 174.0830 57 A 4.0677 8.4856 120.5497 54.8154 18.0938 179.2347 58 Y 4.2001 8.1698 117.0384 60.5610 39.2116 177.3208 59 E 4.1515 8.1341 118.9232 57.7519 29.6619 178.3136 60 L 3.9118 7.6039 119.9756 58.2236 41.6315 176.9954 61 P 4.1699 0.0000 0.0000 64.8623 31.1113 178.0315 62 L 3.9043 7.6710 117.9414 58.4390 42.3324 179.3434 63 A 3.9799 7.8549 120.3238 55.5797 18.3031 179.8218 64 T 3.8255 8.1536 108.4543 64.5358 68.7027 176.1722 65 E 3.8452 8.9361 122.9588 59.1767 29.6089 178.2845 66 A 4.0114 8.0360 120.6143 55.6123 18.1864 179.5871 67 L 4.0757 7.5627 114.8073 57.8693 41.9149 179.5520 68 A 4.2014 8.3614 120.9094 55.2580 18.2251 179.7429 69 K 3.8543 8.1694 116.0344 59.7372 32.1471 178.8179 70 S 4.2027 8.0858 112.8499 59.6783 61.8312 175.9289 71 G 3.9533 8.6128 110.4781 46.2467 0.0000 176.0053 72 K 3.9255 7.6565 120.0877 56.2731 31.8786 182.2012 73 Y 5.1271 6.9270 114.2714 56.8146 40.5003 175.5931 74 D 4.6954 9.2810 122.7254 56.3223 41.8346 176.5479 75 A 4.5444 7.3977 116.9602 51.1682 22.4357 175.1145 76 V 4.7438 8.2513 120.7300 61.0401 34.4860 174.4604 77 V 4.3526 8.7246 128.3478 61.4979 33.4246 174.2076 78 A 4.8979 8.5809 130.4009 49.8049 20.6364 175.2655 79 L 5.2723 7.9543 123.0396 52.7355 44.4134 176.4091 80 G 4.2043 7.6923 108.3184 45.9622 0.0000 171.8647 81 T 5.0457 8.5445 116.1686 61.4935 71.9826 174.2477 82 V 4.2233 9.2367 125.4349 61.3279 34.0036 173.8541 83 I 4.8099 8.1740 128.6334 59.5299 38.7277 175.9638 84 R 3.6641 8.4515 127.7686 56.5475 30.3066 176.3341 85 G 4.4271 8.3279 116.0770 44.2508 0.0000 172.9307 86 G 3.6332 8.7937 107.6455 47.5426 0.0000 173.2956 87 T 4.5297 7.5972 108.2960 59.7054 71.6425 173.4577 88 A 4.4858 8.3670 121.2393 52.7389 18.7978 178.6463 89 H 4.2998 8.3477 120.1756 60.3589 29.7471 176.8943 90 F 4.0233 8.4887 121.9484 61.5651 38.9826 176.6231 91 E 3.6097 7.9516 118.1099 59.5334 29.3867 178.3900 92 Y 4.3191 7.3943 115.8817 60.7310 38.1236 177.5565 93 V 3.6925 7.7094 119.4573 65.8114 31.6124 177.7889 94 A 4.0817 7.7988 120.2001 55.2485 18.0797 179.6151 95 G 3.6235 8.1267 104.7115 47.7206 0.0000 176.0033 96 G 3.8822 8.6459 108.1489 45.7907 0.0000 174.6653 97 A 4.2894 7.7736 122.4456 54.2115 19.8260 179.1269 98 S 4.1698 8.2354 111.7758 61.8324 62.4076 176.2431 99 N 4.4469 8.4833 119.3755 55.9630 38.3418 177.3545 100 G 3.7408 7.7219 106.5267 48.1240 0.0000 175.4938 101 L 3.9959 8.0754 121.5891 57.2069 41.8766 179.5795 102 A 3.9969 8.0402 120.5999 55.0937 18.2414 179.6771 103 S 3.9580 8.2709 111.6467 61.5029 62.4704 176.1241 104 V 3.5467 7.7349 120.8112 66.2626 31.1203 177.6721 105 A 4.3480 7.8021 121.0924 54.8252 18.0114 179.4466 106 Q 3.9084 7.6848 116.2804 59.1607 29.1331 177.7842 107 D 4.5315 8.0589 119.5082 56.9066 41.2666 178.3687 108 S 4.3900 8.3690 112.7337 58.4052 63.5408 175.3803 109 G 3.8763 8.0278 109.5853 45.8601 0.0000 173.7388 110 V 3.9896 7.5658 120.8532 61.5972 33.0798 173.5831 111 P 4.5572 0.0000 0.0000 62.5599 32.5527 175.1783 112 V 4.8890 8.3882 123.5058 61.0285 34.0469 174.2318 113 A 4.4402 8.8892 130.4487 50.9525 20.3805 176.3221 114 F 4.7995 8.9866 126.8195 56.2903 38.3235 175.9210 115 G 3.9213 8.0325 118.1331 44.9867 0.0000 171.1960 116 V 4.5498 6.1165 117.7173 60.5592 33.7927 176.0256 117 L 4.2606 8.7154 129.5699 55.1125 42.7386 176.7101 118 T 5.5045 8.7436 112.8408 58.7747 68.8826 172.5909 119 T 4.5907 8.1565 120.9159 61.0121 72.0917 175.0916 120 E 4.0989 9.7895 120.7260 57.4198 30.4658 177.2803 121 S 4.7210 7.5878 111.8515 55.5878 67.6717 174.8266 122 I 3.6953 8.2082 123.0331 64.2557 36.5927 177.9700 123 E 3.9218 8.1953 119.0335 59.7800 29.6851 178.6760 124 Q 4.2876 8.0985 117.4354 58.7972 28.7915 178.5055 125 A 4.0210 7.8325 121.5790 55.4451 17.9691 179.7773 126 I 3.7695 7.9076 118.0990 64.5802 37.0949 178.5300 127 E 4.6447 8.0617 120.2597 57.9589 29.2780 178.3379 128 R 4.5495 7.9165 115.7885 55.6494 30.6018 176.6277 129 A 4.8209 7.1517 120.6987 52.6914 19.5213 177.1062 130 G 4.4664 8.0177 107.8853 48.1743 0.0000 175.3850 131 T 4.6259 7.4943 115.7926 60.0610 68.8085 175.7001 132 K 3.7768 9.2504 117.1320 59.3401 31.7374 177.8532 133 A 4.5682 7.7963 119.3353 52.0554 20.0030 178.9044 134 G 3.7505 8.0502 110.6125 47.3388 0.0000 173.9005 135 N 5.3024 8.2275 117.2488 50.8620 40.7489 175.4627 136 K 3.9538 8.9583 128.7492 59.2635 32.0923 178.7836 137 G 4.0921 8.3055 107.7113 47.3162 0.0000 175.5449 138 A 4.0274 7.8580 123.1330 54.3201 18.5011 179.2309 139 E 3.8432 8.5244 118.0252 59.3451 29.7221 178.9346 140 A 4.0641 8.5759 122.4452 54.3578 18.4039 179.3607 141 A 3.9033 8.2021 119.5467 55.3210 18.3796 179.8793 142 L 3.9166 8.0874 117.6978 58.2515 41.2570 179.9849 143 T 3.8473 8.0105 109.2604 64.4256 68.5072 176.2829 144 A 3.9693 7.9321 123.9791 55.0649 18.4014 179.1500 145 L 3.8930 7.8542 117.1140 58.1664 41.7455 179.2823 146 E 4.0918 8.4288 119.0703 59.8976 29.4160 178.8667 147 M 4.0304 7.9940 118.1746 58.4140 31.9383 178.4005 148 I 3.6919 7.7900 119.9275 64.9026 37.3042 178.1340 149 N 4.3251 7.9800 116.4608 56.2552 38.1507 177.6082 150 V 3.6016 7.8195 119.0244 66.0191 31.8232 177.9373 151 L 4.0823 8.3888 118.9721 57.7833 41.4043 179.0959 152 K 3.8539 8.1143 118.4454 59.5794 32.1085 177.2025 153 A 4.4326 8.2136 120.2183 51.9220 19.2842 177.3270 154 I 3.8815 7.7740 128.1385 63.6558 38.8916 174.6675 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 8.29 4.41 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.56 4.64 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.78 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.59 4.45 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.57 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 7 N 8.23 5.05 0.00 2.66 2.68 0.00 0.00 6.98 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 8 V 8.18 3.87 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.07 4.18 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 10 A 8.33 4.63 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 11 P 0.00 4.69 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.76 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.60 4.65 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 14 R 9.75 4.83 0.00 1.43 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.83 4.94 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.49 4.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.73 4.76 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.75 0.00 0.00 18 T 8.60 4.81 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 1.09 0.00 0.00 19 I 8.30 5.22 0.71 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.16 0.33 0.00 0.00 20 A 8.43 5.05 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 21 R 9.29 4.43 0.00 2.09 2.52 0.00 2.86 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.21 4.63 0.00 3.16 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 23 N 9.85 4.67 0.00 2.98 3.00 0.00 0.00 6.88 7.98 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 24 Q 8.36 4.18 0.00 2.52 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 3.90 0.00 3.12 3.19 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 0.00 0.00 0.00 0.00 26 I 8.21 4.19 2.11 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 1.66 0.77 0.95 0.00 0.00 27 N 8.31 4.37 0.00 2.87 2.93 0.00 0.00 7.06 8.08 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 28 D 8.77 4.57 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.96 4.06 0.00 3.81 3.96 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 30 L 7.89 4.03 0.00 1.92 1.64 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.22 3.85 0.00 1.81 1.80 0.77 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.35 4.51 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.10 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 0.00 0.00 0.00 34 A 7.83 3.92 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 35 V 7.94 3.46 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 0.98 0.00 0.00 0.94 0.00 0.00 36 D 8.20 4.30 0.00 2.82 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 37 A 8.35 3.88 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 38 L 8.53 3.85 0.00 1.85 1.73 0.89 0.55 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 39 T 8.37 4.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 40 R 8.11 3.86 0.00 1.81 2.24 0.00 3.24 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 8.00 4.08 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.91 0.00 0.00 42 G 7.94 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 43 Q 8.23 3.74 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.47 3.84 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 0.88 0.00 0.00 0.94 0.00 0.00 45 K 8.55 4.37 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.79 4.67 0.00 2.83 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 47 D 7.97 4.79 0.00 2.79 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 48 N 8.48 4.72 0.00 2.89 2.99 0.00 0.00 6.91 7.16 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 49 I 7.59 4.98 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.89 0.00 0.00 50 T 8.82 4.71 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 51 V 8.41 4.59 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 0.50 0.00 0.00 0.84 0.00 0.00 52 V 9.02 4.31 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 9.00 4.90 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.67 4.35 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 0.86 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.32 0.00 2.18 2.30 0.00 3.75 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 2.16 2.04 0.00 56 G 7.97 4.47 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 0.00 0.00 0.00 57 A 8.49 4.07 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 58 Y 8.17 4.20 0.00 2.93 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 59 E 8.13 4.15 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 60 L 7.60 3.91 0.00 1.76 1.70 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.03 1.85 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 62 L 7.67 3.90 0.00 1.63 1.66 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.85 3.98 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 64 T 8.15 3.83 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 1.20 0.00 0.00 65 E 8.94 3.85 0.00 1.99 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 0.00 2.31 2.34 0.00 66 A 8.04 4.01 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 67 L 7.56 4.08 0.00 1.74 1.65 0.63 0.97 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 68 A 8.36 4.20 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 69 K 8.17 3.85 0.00 1.73 1.91 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 70 S 8.09 4.20 0.00 3.92 4.26 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 71 G 8.61 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 0.00 0.00 0.00 0.00 72 K 7.66 3.93 0.00 1.83 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.93 5.13 0.00 3.13 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 74 D 9.28 4.70 0.00 2.55 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 75 A 7.40 4.54 1.20 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 0.00 0.00 76 V 8.25 4.74 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 0.96 0.00 0.00 0.84 0.00 0.00 77 V 8.72 4.35 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.58 4.90 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 0.00 0.00 0.00 0.00 0.00 79 L 7.95 5.27 0.00 1.38 1.40 0.85 0.62 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 80 G 7.69 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 0.00 0.00 0.00 81 T 8.54 5.05 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 1.19 0.00 0.00 82 V 9.24 4.22 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 0.92 0.00 0.00 0.87 0.00 0.00 83 I 8.17 4.81 1.85 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 1.24 0.70 0.84 0.00 0.00 84 R 8.45 3.66 0.00 0.67 1.39 0.00 3.07 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 85 G 8.33 4.43 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 0.00 86 G 8.79 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 87 T 7.60 4.53 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 1.24 0.00 0.00 88 A 8.37 4.49 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 89 H 8.35 4.30 0.00 3.29 3.42 0.00 5.62 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 90 F 8.49 4.02 0.00 3.10 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 91 E 7.95 3.61 0.00 1.96 1.12 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 2.00 2.18 0.00 92 Y 7.39 4.32 0.00 3.00 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 93 V 7.71 3.69 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 1.05 0.00 0.00 0.76 0.00 0.00 94 A 7.80 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.13 3.62 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 0.00 0.00 0.00 96 G 8.65 3.88 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 0.00 0.00 0.00 97 A 7.77 4.29 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.24 4.17 0.00 3.71 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 99 N 8.48 4.45 0.00 2.80 2.83 0.00 0.00 6.95 7.81 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 0.00 100 G 7.72 3.74 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 0.00 0.00 0.00 101 L 8.08 4.00 0.00 1.89 1.81 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.04 4.00 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 0.00 103 S 8.27 3.96 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.73 3.55 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 1.04 0.00 0.00 0.97 0.00 0.00 105 A 7.80 4.35 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 0.00 106 Q 7.68 3.91 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.06 4.53 0.00 2.69 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 0.00 108 S 8.37 4.39 0.00 4.02 4.04 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 0.00 109 G 8.03 3.88 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 0.00 0.00 0.00 110 V 7.57 3.99 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 1.01 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.56 0.00 2.12 1.96 0.00 3.78 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 2.12 2.09 0.00 112 V 8.39 4.89 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 0.85 0.00 0.00 0.98 0.00 0.00 113 A 8.89 4.44 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 0.00 114 F 8.99 4.80 0.00 3.00 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 0.00 115 G 8.03 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 0.00 116 V 6.12 4.55 1.24 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 0.66 0.00 0.00 -0.14 0.00 0.00 117 L 8.72 4.26 0.00 1.62 1.58 0.92 0.69 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 0.00 118 T 8.74 5.50 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 1.24 0.00 0.00 119 T 8.16 4.59 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 120 E 9.79 4.10 0.00 1.97 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 2.31 2.30 0.00 121 S 7.59 4.72 0.00 3.95 3.86 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 0.00 122 I 8.21 3.70 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.87 0.00 0.00 123 E 8.20 3.92 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.10 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.83 4.02 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 0.00 126 I 7.91 3.77 2.00 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 1.89 1.37 0.99 0.00 0.00 127 E 8.06 4.64 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 128 R 7.92 4.55 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 129 A 7.15 4.82 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 0.00 130 G 8.02 4.47 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 0.00 0.00 0.00 131 T 7.49 4.63 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 1.23 0.00 0.00 132 K 9.25 3.78 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.80 4.57 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 0.00 134 G 8.05 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 0.00 135 N 8.23 5.30 0.00 2.70 2.65 0.00 0.00 6.93 7.31 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 0.00 136 K 8.96 3.95 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.31 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 0.00 138 A 7.86 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 0.00 139 E 8.52 3.84 0.00 2.03 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 2.31 2.33 0.00 140 A 8.58 4.06 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 0.00 141 A 8.20 3.90 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 0.00 142 L 8.09 3.92 0.00 1.99 1.72 0.91 0.56 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 0.00 143 T 8.01 3.85 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 1.24 0.00 0.00 144 A 7.93 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 0.00 145 L 7.85 3.89 0.00 1.87 1.90 1.01 0.89 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 0.00 146 E 8.43 4.09 0.00 2.01 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 2.38 0.00 147 M 7.99 4.03 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.79 3.69 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.91 0.92 0.00 0.00 149 N 7.98 4.33 0.00 2.92 2.86 0.00 0.00 6.74 8.99 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 0.00 150 V 7.82 3.60 2.22 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 0.83 0.00 0.00 1.02 0.00 0.00 151 L 8.39 4.08 0.00 1.86 1.69 0.93 0.64 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 0.00 152 K 8.11 3.85 0.00 1.82 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.21 4.43 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 0.00 154 I 7.77 3.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.91 0.00 0.00