NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.4849 8.0385 120.6275 54.4352 43.7588 178.1760 23 A 3.8230 8.1860 124.1591 55.1726 18.0186 178.8901 24 D 4.3066 9.0956 118.4474 57.4559 41.3511 177.4700 25 S 4.1702 8.6318 115.9245 61.5529 62.8975 176.7501 26 K 3.8805 8.1907 120.8288 59.5746 31.8130 179.0103 27 A 4.0449 8.1285 121.0518 55.3626 18.2074 180.0983 28 V 3.6910 8.1687 117.6681 64.6232 31.6287 178.5126 29 L 4.2184 8.5010 120.1957 57.9459 41.5220 179.0848 30 N 4.3379 8.3167 116.8365 56.4790 38.7345 176.5087 31 Q 4.2015 8.5438 121.0428 59.4472 29.1630 178.3851 32 A 4.2317 8.5233 121.9373 55.1752 18.4419 179.6331 33 V 3.5484 8.1709 116.5179 66.1466 31.6374 178.1183 34 A 4.1377 8.3212 120.2829 55.5322 18.3465 179.4117 35 D 4.3790 8.6030 117.7672 57.5297 40.8547 179.1034 36 L 4.1898 8.7037 119.9190 57.7765 41.5784 179.6463 37 S 3.8895 7.9116 115.1952 61.5379 62.5600 177.0193 38 V 3.5960 7.9099 120.6267 65.7934 31.2175 177.7406 39 A 3.9960 8.5801 120.9527 55.5220 18.2030 178.8976 40 H 3.9801 8.4331 116.6884 59.5502 29.8975 177.2502 41 S 4.1120 7.9382 114.3075 61.5866 62.1402 176.2768 42 I 3.7117 8.0290 122.6395 64.3765 36.8380 178.4520 43 L 3.9409 8.2725 120.2881 57.9453 41.3359 179.1138 44 H 3.7389 8.1318 118.3172 58.8226 29.5954 176.9841 45 Q 4.1964 7.9870 121.4193 59.3125 29.0053 178.4122 46 V 3.6231 7.9598 119.3192 66.4045 31.3179 177.0580 47 H 4.0947 8.3056 116.7498 59.4845 29.6488 176.7772 48 W 4.6896 8.2658 119.0435 59.6168 28.8122 177.5021 49 Y 4.3852 8.5942 114.9261 57.1098 37.8230 175.3553 50 M 4.4859 7.6553 120.1812 56.1818 32.8077 175.6105 51 R 4.6663 9.0414 123.5890 55.0061 34.6417 173.7599 52 G 4.2789 8.8969 106.1075 42.7666 0.0000 173.2434 53 R 4.2081 8.2495 119.8973 57.3183 30.3617 177.3258 54 G 4.2796 9.4750 109.5455 45.4472 0.0000 175.0795 55 F 4.1378 8.6757 122.3793 61.9391 39.0854 176.7222 56 M 4.2990 8.3370 115.4209 58.4491 32.0252 177.7731 57 I 3.7023 7.5441 119.4666 63.8493 37.6341 177.9734 58 W 4.1289 8.2038 119.5189 59.0195 28.7263 178.3904 59 H 3.9296 8.1383 118.5271 58.6800 29.6864 175.4148 60 P 4.2339 0.0000 0.0000 65.2529 31.1494 178.0718 61 K 3.5007 7.4297 119.7390 59.6083 31.9337 178.2831 62 M 3.9892 8.0040 118.8371 58.7255 31.8317 178.4649 63 D 4.1752 7.6634 118.2266 57.2747 40.9533 178.7176 64 E 3.8965 7.7722 118.4330 59.6959 29.5321 178.8949 65 Y 4.4686 7.9241 116.7272 61.4297 37.8756 178.4662 66 M 4.0638 8.5215 120.0894 58.4037 32.0604 178.3979 67 E 3.8800 8.2999 119.4208 59.1646 29.8863 178.5544 68 E 3.6371 8.1365 119.2750 59.2389 29.7336 178.7030 69 I 3.8263 8.1120 120.2529 64.7110 37.2179 178.1415 70 D 4.4563 8.5677 120.1203 57.2429 40.5880 179.1690 71 G 3.4501 7.8525 106.3217 47.8604 0.0000 175.4921 72 Y 4.2733 7.3726 118.9432 60.6019 37.8312 177.9940 73 L 4.0865 8.1021 121.3658 58.4628 42.1477 178.6909 74 D 4.2804 8.1089 117.7330 57.2393 41.1691 177.7890 75 E 3.8865 8.1440 119.8605 59.5267 29.6278 178.7338 76 M 3.9086 8.6994 119.1959 58.2648 31.9268 178.6331 77 S 4.0797 8.2696 113.4404 61.5131 62.6595 175.8620 78 E 4.0939 8.3955 120.2898 58.1760 29.2378 179.0415 79 R 3.8331 8.0714 119.6992 59.0845 30.0706 178.0739 80 L 3.9037 8.0433 120.2563 58.2343 42.0347 179.0008 81 I 3.8533 7.9333 119.8319 64.8364 36.8285 178.5494 82 T 3.8748 7.6031 115.2757 66.4406 68.3489 175.8495 83 L 4.3666 7.8272 118.0707 54.9037 41.6871 177.6019 84 G 3.8184 8.2416 107.7190 45.4873 0.0000 173.9635 85 G 3.8432 8.0151 109.3071 43.7959 0.0000 174.2148 86 A 4.4884 7.9036 121.2371 48.8388 19.4246 173.8487 87 P 4.4197 0.0000 0.0000 62.8451 32.1102 177.0519 88 F 4.7178 8.5712 120.0102 59.0249 39.3032 176.5845 89 S 4.8988 9.0009 119.1842 56.7548 63.5259 174.5768 90 T 4.4926 6.7848 109.6941 59.9422 72.8797 173.5842 91 L 3.9508 8.1835 122.2796 57.6638 41.6980 179.7074 92 K 3.8364 7.7953 119.1398 59.5601 32.2261 178.4475 93 E 3.6851 7.6505 118.2427 59.2581 29.3245 179.4255 94 F 4.4208 7.4748 117.5664 60.9256 38.8489 177.9058 95 S 4.1742 8.1969 113.5806 61.6899 62.6873 176.2952 96 E 4.1378 7.9262 120.1062 58.7489 29.4405 178.2477 97 N 4.4513 7.8066 115.3891 54.0892 39.2624 175.9717 98 S 4.4531 7.5089 114.6371 58.5448 62.9018 173.8813 99 Q 4.2559 8.8676 124.7952 56.2335 29.0522 176.2248 100 L 4.0618 7.6316 119.2427 53.7906 42.5235 176.2603 101 K 4.5952 8.2315 121.1285 54.5985 34.4760 175.5290 102 E 4.7594 8.4636 121.0829 54.6915 32.3687 175.5383 103 V 4.5402 7.7478 113.0312 59.0005 35.8254 175.5566 104 L 4.0035 8.3231 121.0628 54.5877 41.9765 177.9443 105 G 2.3917 7.9754 110.7536 45.4889 0.0000 172.9678 106 D 4.3008 7.2601 120.9964 52.7767 43.1662 175.6129 107 Y 4.7925 8.6339 124.4120 59.9243 38.0688 176.5851 108 N 4.7769 8.7280 116.5079 53.0390 39.0739 175.4126 109 V 3.9029 7.2680 118.8246 62.5710 32.3352 176.5372 110 T 4.3103 9.1203 118.0974 61.0218 70.9967 175.9547 111 I 3.6378 8.2370 122.2658 64.6082 37.0570 177.9547 112 E 3.7873 8.1969 119.4355 59.5862 29.3337 178.6866 113 E 3.9111 8.1638 118.2341 59.4009 29.5986 179.3901 114 Q 3.9256 8.3351 118.4581 59.0896 28.7461 178.9718 115 L 3.7437 8.2825 120.0294 57.4056 41.5080 179.3700 116 A 3.8562 8.1824 121.3078 55.0330 18.1838 179.6834 117 R 3.7453 7.9179 117.3150 59.4163 30.1292 178.9118 118 V 3.2107 7.4725 117.8753 65.6769 31.3470 178.0117 119 V 3.4261 7.6778 118.1443 66.0724 31.3225 177.7259 120 E 3.9359 8.1433 118.1206 59.4330 29.2559 179.4768 121 V 3.6409 7.8817 118.2140 66.3143 31.5490 178.1475 122 F 4.4334 8.6333 117.7898 60.6417 38.6506 177.9803 123 R 3.9475 8.5000 118.2964 59.1456 29.7713 178.3027 124 Y 3.9024 8.1710 119.3786 60.7449 38.7444 178.3042 125 L 3.3471 8.1651 119.6935 57.4387 41.6642 179.2259 126 A 3.7753 8.0073 120.8224 55.2102 18.2876 179.6192 127 A 3.8186 7.7123 119.1218 54.9769 18.4131 179.6503 128 L 3.6603 7.3665 119.1183 58.1572 42.0731 179.2597 129 F 4.6083 8.0037 118.2702 60.2312 38.8038 177.5514 130 Q 3.8958 8.0553 119.4688 58.9272 28.8215 177.9289 131 K 3.8374 7.9622 120.7805 59.5229 32.1476 178.5788 132 G 2.3369 7.9526 106.0079 47.3540 0.0000 174.9208 133 F 4.0454 8.3748 123.7887 61.1854 39.3339 176.8692 134 D 4.4226 8.7464 118.5136 57.5257 40.7621 179.1890 135 V 3.5810 7.9757 119.0567 65.8562 31.6301 178.2749 136 S 4.3933 8.1367 115.5636 60.7507 62.8323 175.7240 137 D 4.0854 8.1604 122.0651 57.3413 40.7042 178.0703 138 E 3.9410 7.9741 117.4839 59.5111 29.6161 178.7391 139 E 4.2922 7.9822 115.6124 56.2419 29.8051 177.4186 140 G 3.7923 7.6574 107.0439 46.6897 0.0000 174.8409 141 D 4.6098 7.8081 121.7453 52.7651 39.4632 176.4812 142 S 4.0959 8.0732 120.4144 60.3745 63.5049 176.6265 143 V 3.4901 7.6167 121.6871 66.2930 31.4528 177.7959 144 T 3.6834 7.9227 115.2119 66.5581 68.2762 175.8165 145 N 4.5764 8.1519 120.2028 56.2069 38.8886 176.2712 146 D 4.3680 8.3273 119.4141 57.4473 41.4068 178.1830 147 I 3.5497 7.5650 120.2557 64.4675 36.9538 178.4875 148 F 3.9970 7.9560 118.5514 60.2469 38.6767 177.3788 149 N 4.3498 8.3059 116.9029 56.6156 38.7615 177.1094 150 V 3.5389 7.9045 119.4268 65.9351 31.6290 177.7992 151 A 3.4131 7.4228 121.4293 54.1270 17.9063 179.3821 152 K 3.9610 8.2166 118.1871 59.6662 32.3981 178.4427 153 A 3.9681 8.0241 121.0248 55.6460 18.2701 179.6800 154 S 4.0967 7.9238 110.9527 61.4368 62.4412 176.3996 155 I 3.5700 7.8244 122.7474 64.2116 36.7552 178.2270 156 E 4.0257 8.4724 119.7615 59.1505 29.2756 179.2196 157 K 4.2343 8.0610 119.4267 60.0860 32.2773 178.5105 158 H 4.4314 8.2549 116.3991 59.0286 28.5147 177.8558 159 I 3.8418 8.1152 121.6744 64.0075 36.9002 178.0455 160 W 4.4212 8.5243 129.2927 61.0802 30.4620 177.9418 161 M 3.3338 7.8380 118.2917 58.0336 31.3112 178.8314 162 L 3.9982 8.3992 119.5315 57.9334 41.7350 179.5663 163 Q 3.9663 8.4194 118.0152 58.8307 28.6297 178.6738 164 A 4.0299 8.3725 122.1837 55.3015 18.2175 179.1190 165 E 3.9655 8.2340 116.7283 59.4462 29.7722 178.2959 166 L 4.3267 7.5894 115.8158 54.6832 41.8383 177.3922 167 G 3.9343 8.3835 107.2400 45.8934 0.0000 173.3725 168 Q 4.5941 8.1275 116.4244 53.0904 32.6741 175.1924 169 A 4.3228 8.3975 122.3320 51.7251 19.0549 176.3925 170 P 4.3839 0.0000 0.0000 63.8652 32.0281 177.2506 171 K 3.8197 8.1152 115.8913 57.2125 29.5873 174.7038 172 L 4.1779 7.7795 121.1357 55.2177 41.4907 177.8068 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 22 L 8.04 4.48 0.00 1.72 1.74 0.91 0.38 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 23 A 8.19 3.82 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 24 D 9.10 4.31 0.00 2.98 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 25 S 8.63 4.17 0.00 3.87 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 26 K 8.19 3.88 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 27 A 8.13 4.04 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 28 V 8.17 3.69 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 1.01 0.00 0.00 0.82 0.00 0.00 29 L 8.50 4.22 0.00 1.91 1.81 0.94 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.32 4.34 0.00 2.85 2.64 0.00 0.00 6.89 6.20 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 31 Q 8.54 4.20 0.00 2.46 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.78 0.00 32 A 8.52 4.23 1.73 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 33 V 8.17 3.55 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.02 0.00 0.00 34 A 8.32 4.14 1.59 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 35 D 8.60 4.38 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.70 4.19 0.00 1.78 1.80 1.21 1.25 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 37 S 7.91 3.89 0.00 3.43 3.26 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 38 V 7.91 3.60 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 1.07 0.00 0.00 1.02 0.00 0.00 39 A 8.58 4.00 1.48 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 40 H 8.43 3.98 0.00 3.32 3.49 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 41 S 7.94 4.11 0.00 3.98 4.11 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 42 I 8.03 3.71 1.98 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 1.49 0.63 0.86 0.00 0.00 43 L 8.27 3.94 0.00 1.75 1.68 1.12 0.91 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 44 H 8.13 3.74 0.00 3.03 2.66 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 45 Q 7.99 4.20 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 46 V 7.96 3.62 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 0.95 0.00 0.00 1.02 0.00 0.00 47 H 8.31 4.09 0.00 3.03 3.29 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.27 4.69 0.00 3.61 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.59 4.39 0.00 3.23 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 50 M 7.66 4.49 0.00 2.37 2.41 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.86 0.00 51 R 9.04 4.67 0.00 1.88 1.78 0.00 3.32 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 52 G 8.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.25 4.21 0.00 1.87 1.96 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 G 9.48 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.68 4.14 0.00 3.39 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 56 M 8.34 4.30 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.74 0.00 57 I 7.54 3.70 1.65 0.00 0.00 0.57 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 0.63 -0.14 0.00 0.00 58 W 8.20 4.13 0.00 3.38 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 59 H 8.14 3.93 0.00 1.71 2.50 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.23 0.00 2.16 2.21 0.00 3.58 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 2.03 1.94 0.00 61 K 7.43 3.50 0.00 1.49 1.81 0.00 0.99 0.00 0.00 1.05 0.00 0.00 2.60 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.90 0.56 7.81 62 M 8.00 3.99 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.03 0.00 63 D 7.66 4.18 0.00 2.79 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 64 E 7.77 3.90 0.00 1.91 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 2.24 0.00 65 Y 7.92 4.47 0.00 3.23 3.15 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 66 M 8.52 4.06 0.00 1.85 2.15 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.31 0.00 67 E 8.30 3.88 0.00 1.99 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 0.00 2.24 2.27 0.00 68 E 8.14 3.64 0.00 2.08 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 1.87 2.01 0.00 69 I 8.11 3.83 2.13 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 1.87 0.90 1.02 0.00 0.00 70 D 8.57 4.46 0.00 2.88 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 71 G 7.85 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.37 4.27 0.00 3.24 2.84 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 0.00 0.00 0.00 0.00 73 L 8.10 4.09 0.00 1.85 1.95 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.11 4.28 0.00 2.89 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 75 E 8.14 3.89 0.00 2.10 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 2.21 2.29 0.00 76 M 8.70 3.91 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.02 0.00 77 S 8.27 4.08 0.00 3.98 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 78 E 8.40 4.09 0.00 2.08 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 2.44 0.00 79 R 8.07 3.83 0.00 1.91 1.98 0.00 3.09 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 80 L 8.04 3.90 0.00 1.78 1.84 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.93 3.85 1.86 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 1.52 0.68 0.90 0.00 0.00 82 T 7.60 3.87 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 1.19 0.00 0.00 83 L 7.83 4.37 0.00 1.73 1.69 0.98 1.27 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 84 G 8.24 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 85 G 8.02 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.90 4.49 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.42 0.00 2.26 2.08 0.00 3.78 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 2.01 2.01 0.00 88 F 8.57 4.72 0.00 3.38 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 89 S 9.00 4.90 0.00 4.02 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 90 T 6.78 4.49 4.08 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 1.14 0.00 0.00 91 L 8.18 3.95 0.00 1.69 1.81 1.00 0.99 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 92 K 7.80 3.84 0.00 1.76 1.71 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 93 E 7.65 3.69 0.00 1.90 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 94 F 7.47 4.42 0.00 3.24 2.98 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 95 S 8.20 4.17 0.00 3.80 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 96 E 7.93 4.14 0.00 1.94 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 2.29 2.38 0.00 97 N 7.81 4.45 0.00 2.31 2.67 0.00 0.00 6.97 7.33 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 98 S 7.51 4.45 0.00 4.07 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 99 Q 8.87 4.26 0.00 1.82 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 100 L 7.63 4.06 0.00 1.46 1.44 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.23 4.60 0.00 1.62 1.64 0.00 1.50 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.43 7.81 102 E 8.46 4.76 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 103 V 7.75 4.54 2.02 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 0.70 0.00 0.00 0.85 0.00 0.00 104 L 8.32 4.00 0.00 1.54 1.50 0.90 0.86 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 0.00 105 G 7.98 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 0.00 0.00 0.00 0.00 0.00 0.00 106 D 7.26 4.30 0.00 2.47 2.35 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 0.00 107 Y 8.63 4.79 0.00 3.14 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 0.00 108 N 8.73 4.78 0.00 2.86 2.89 0.00 0.00 6.92 7.22 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 0.00 109 V 7.27 3.90 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 0.82 0.00 0.00 0.90 0.00 0.00 110 T 9.12 4.31 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 1.27 0.00 0.00 111 I 8.24 3.64 1.87 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 1.78 1.02 0.80 0.00 0.00 112 E 8.20 3.79 0.00 1.98 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 2.32 2.37 0.00 113 E 8.16 3.91 0.00 2.29 1.95 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 2.30 2.32 0.00 114 Q 8.34 3.93 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 115 L 8.28 3.74 0.00 1.30 1.25 -0.36 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.18 3.86 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 0.00 117 R 7.92 3.75 0.00 1.88 2.12 0.00 3.08 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 118 V 7.47 3.21 1.89 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 -0.04 0.00 0.00 0.81 0.00 0.00 119 V 7.68 3.43 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 1.05 0.00 0.00 0.86 0.00 0.00 120 E 8.14 3.94 0.00 2.19 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 2.43 0.00 121 V 7.88 3.64 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 1.25 0.00 0.00 0.95 0.00 0.00 122 F 8.63 4.43 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.50 3.95 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 124 Y 8.17 3.90 0.00 3.10 3.15 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 0.00 125 L 8.17 3.35 0.00 1.54 0.79 1.00 1.15 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 0.00 126 A 8.01 3.78 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 0.00 127 A 7.71 3.82 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 0.00 128 L 7.37 3.66 0.00 1.09 1.30 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.00 4.61 0.00 3.13 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 0.00 130 Q 8.06 3.90 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 131 K 7.96 3.84 0.00 1.81 1.87 0.00 1.54 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.42 7.81 132 G 7.95 2.34 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 0.00 133 F 8.37 4.05 0.00 3.24 3.24 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 0.00 134 D 8.75 4.42 0.00 2.81 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 0.00 135 V 7.98 3.58 2.13 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 1.07 0.00 0.00 0.90 0.00 0.00 136 S 8.14 4.39 0.00 4.30 4.19 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 0.00 137 D 8.16 4.09 0.00 2.38 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 0.00 138 E 7.97 3.94 0.00 2.06 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 2.33 2.63 0.00 139 E 7.98 4.29 0.00 1.95 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 2.43 0.00 140 G 7.66 3.79 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 0.00 0.00 0.00 141 D 7.81 4.61 0.00 2.71 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 0.00 142 S 8.07 4.10 0.00 4.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.62 3.49 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.92 3.68 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 1.32 0.00 0.00 145 N 8.15 4.58 0.00 2.69 2.81 0.00 0.00 6.40 8.09 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 0.00 146 D 8.33 4.37 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.57 3.55 1.57 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 0.52 0.00 0.00 148 F 7.96 4.00 0.00 3.34 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 0.00 149 N 8.31 4.35 0.00 3.30 3.01 0.00 0.00 6.81 7.78 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 0.00 150 V 7.90 3.54 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 0.99 0.00 0.00 0.99 0.00 0.00 151 A 7.42 3.41 -0.08 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 0.00 0.00 152 K 8.22 3.96 0.00 2.07 2.00 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 153 A 8.02 3.97 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 0.00 154 S 7.92 4.10 0.00 3.95 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 0.00 155 I 7.82 3.57 1.84 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.80 0.72 0.00 0.00 156 E 8.47 4.03 0.00 2.15 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 2.34 2.56 0.00 157 K 8.06 4.23 0.00 2.08 2.03 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.71 1.94 7.81 158 H 8.25 4.43 0.00 3.43 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.12 3.84 2.17 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 1.58 1.11 1.00 0.00 0.00 160 W 8.52 4.42 0.00 3.39 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 M 7.84 3.33 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.10 0.00 162 L 8.40 4.00 0.00 1.71 1.60 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.42 3.97 0.00 2.38 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 164 A 8.37 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 0.00 165 E 8.23 3.97 0.00 2.17 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 0.00 2.25 2.42 0.00 166 L 7.59 4.33 0.00 1.78 1.64 0.80 0.87 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 0.00 167 G 8.38 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 0.00 168 Q 8.13 4.59 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 169 A 8.40 4.32 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 0.00 170 P 0.00 4.38 0.00 2.13 2.30 0.00 3.88 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 2.08 2.39 0.00 171 K 8.12 3.82 0.00 1.87 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.26 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.62 7.81 172 L 7.78 4.18 0.00 1.63 1.58 0.92 0.96 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