NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4338 8.3193 116.7966 58.0150 63.8675 172.9610 2 I 3.8373 7.2345 114.1013 60.2009 37.9785 174.3253 3 Q 3.8544 9.5683 119.4750 58.4603 29.3478 179.2829 4 A 4.2475 7.9281 116.3178 51.0230 16.3603 175.7804 5 E 4.8818 7.0727 112.7009 57.1799 31.2086 176.4281 6 E 4.8250 7.5882 120.6983 57.2103 37.4300 176.2524 7 W 4.9408 6.8109 112.7361 55.4893 29.2896 174.6178 8 Y 5.1327 6.8585 120.5375 56.5891 41.1420 174.8094 9 F 4.2747 9.7118 125.9143 57.9895 41.5689 175.8717 10 G 4.4465 5.8982 108.4838 45.0838 0.0000 175.2273 11 K 4.6196 8.2902 121.0552 54.3451 30.5690 174.1855 12 L 4.5959 7.5303 122.5354 53.3211 45.3667 174.8947 13 G 4.3943 8.0168 109.7613 44.1221 0.0000 173.4933 14 R 4.0531 8.2539 114.3320 57.7395 29.8438 178.2882 15 K 4.3180 7.7089 121.8681 58.7820 32.3058 178.0250 16 D 4.3678 8.0059 117.6336 56.9156 41.3008 177.9357 17 A 3.8869 7.6103 120.6418 54.8808 18.2330 179.4297 18 E 3.9069 8.0684 115.8455 59.4223 29.7357 178.7555 19 R 4.2423 7.8673 117.6753 57.2862 30.1173 177.6829 20 Q 4.2449 8.0568 116.8172 58.3616 28.9135 177.3803 21 L 4.3402 7.7718 119.7005 57.1786 41.9970 179.1029 22 L 4.1433 7.5566 117.1992 56.9824 42.8297 178.2970 23 S 4.2769 7.5790 114.0689 57.9158 60.3654 168.5049 24 F 3.8418 8.3995 127.6698 58.2278 38.4462 173.0794 25 G 3.6678 7.5275 124.8469 45.1754 0.0000 172.6761 26 N 4.7728 7.4680 117.2695 50.8470 44.0294 173.3835 27 P 4.6092 0.0000 0.0000 62.3797 32.7665 176.0033 28 R 4.8283 7.8961 113.7216 57.0133 30.7340 177.1159 29 G 3.8920 9.0735 105.0139 45.9050 0.0000 172.7772 30 T 4.6784 7.5755 117.9566 62.2427 69.7680 174.0405 31 F 5.6625 9.4426 126.8829 55.3511 41.1520 175.5273 32 L 4.7229 8.1031 125.7682 54.5386 43.7892 174.7894 33 I 5.8100 8.1413 118.0513 58.7836 42.2183 174.6536 34 R 5.4604 7.9232 118.0574 56.0626 31.6207 173.3371 35 E 4.3763 8.9727 120.4144 56.4547 30.2850 176.8002 36 S 4.3239 8.7694 121.3629 58.0768 64.0191 174.5499 37 E 4.4970 8.6875 123.5605 56.7433 29.5239 177.2753 38 T 3.9636 7.5513 114.8935 64.4554 67.5698 174.0699 39 T 4.6426 7.3393 113.7602 59.6553 69.9276 172.9394 40 K 3.9523 8.6206 120.1950 57.8428 32.2700 177.3847 41 G 4.9538 7.2778 120.9967 46.2743 0.0000 171.4492 42 A 4.5235 6.9468 125.3159 51.9807 22.8595 175.0009 43 Y 5.2881 7.9913 112.6543 57.4433 41.9333 174.6299 44 S 5.0144 8.7876 112.5154 58.3904 66.8930 174.1735 45 L 5.9388 8.4863 124.2792 52.3418 43.1210 175.6936 46 S 4.9267 8.3770 120.6711 58.1169 64.6809 172.7341 47 I 4.3452 8.1954 114.1716 59.0074 41.2294 173.7225 48 R 4.8853 8.3562 124.0440 54.8795 32.3688 174.6554 49 D 5.1252 8.7252 125.6033 52.9838 42.9988 174.3625 50 W 4.6148 8.7200 134.0734 56.6214 32.1688 174.5827 51 D 3.9281 6.1883 120.1886 51.9554 43.9766 174.4742 52 D 4.6827 7.4892 121.1229 53.0337 39.7495 177.4739 53 M 4.5418 6.6414 111.1025 56.4495 32.2856 173.8560 54 K 4.0964 7.7445 124.0941 57.4815 36.4578 172.9417 55 G 3.7952 6.3159 103.1541 43.9064 0.0000 172.7453 56 D 5.0692 8.7087 119.7932 55.0040 41.9418 174.2083 57 H 4.8948 8.0426 116.6829 56.2549 33.9622 173.0889 58 V 5.0542 7.9943 116.8486 63.6074 34.3234 172.9765 59 K 4.4802 7.9539 130.1532 56.1007 35.3464 173.8551 60 H 5.1462 7.9700 113.3956 55.4555 33.1356 173.7802 61 Y 4.4019 8.7984 118.9959 55.2669 40.0907 173.6478 62 K 4.0884 8.7089 124.3152 57.2193 32.9640 175.6274 63 I 4.2584 8.7023 128.6540 60.6600 39.1781 175.4340 64 R 4.7331 7.9644 126.2748 54.8422 33.3964 174.0421 65 K 5.0082 8.0376 119.4830 55.2242 35.1742 175.7726 66 L 4.3961 8.8025 127.7575 54.6971 42.2415 178.0547 67 D 4.4480 8.5987 121.3455 56.8174 41.0148 177.1861 68 N 4.4709 8.0251 114.7063 53.5824 39.0198 175.7988 69 G 3.9619 9.2069 107.0789 45.7198 0.0000 172.8189 70 G 4.7653 7.5265 108.9243 45.6812 0.0000 167.2824 71 Y 5.2969 8.2580 124.0089 58.3088 39.5594 174.2265 72 Y 5.3371 8.4261 122.1580 55.9166 41.0227 176.4449 73 I 3.9264 8.9678 124.7435 63.3061 38.0936 176.0837 74 T 4.9467 7.9770 113.9801 60.0534 70.0248 174.2910 75 T 3.4434 8.7166 117.2791 63.2108 68.8492 175.2071 76 R 3.9581 8.0929 122.3558 58.6290 30.3511 176.2446 77 A 4.4547 7.9331 119.2436 51.2890 22.3895 175.1594 78 Q 5.3105 8.4084 120.1065 54.7074 32.0997 173.5749 79 F 4.5499 8.9620 114.6073 56.8322 42.5905 174.4822 80 E 4.2503 9.0613 117.2657 58.5944 30.7881 175.0188 81 T 4.9417 7.4662 111.6985 60.0674 70.5756 173.2505 82 L 3.7567 8.5028 120.5923 57.0534 41.5543 179.0944 83 Q 3.7665 8.2132 119.8979 59.0397 29.0985 178.0746 84 Q 4.0297 7.9203 119.0138 58.5465 28.8115 178.2159 85 L 2.8375 7.4652 120.4347 58.1645 40.6792 179.5676 86 V 2.9739 6.9941 112.7639 63.1679 30.8610 178.2899 87 Q 3.8378 7.0460 119.0027 59.2206 29.1244 177.0963 88 H 4.3201 7.8071 118.7902 59.3700 30.0834 176.8390 89 Y 4.5984 8.4292 119.9491 60.3110 37.3673 178.2616 90 S 4.1037 7.6738 115.3705 61.0040 62.9707 175.5276 91 E 4.4329 7.7114 118.4729 55.9383 30.3215 175.9578 92 R 4.5382 6.9774 116.7147 54.4149 34.5525 175.8878 93 A 3.6462 8.2584 122.5151 53.2544 18.7006 178.5966 94 A 3.6570 7.2536 117.1737 51.1877 16.8730 177.8218 95 G 3.6300 7.4425 109.6246 45.5536 0.0000 173.5335 96 L 4.2440 7.1600 120.9712 54.3833 41.6768 176.6182 97 S 4.2938 8.5260 113.9386 61.1781 62.1460 174.1328 98 S 4.3308 7.3320 110.6329 56.1040 65.2387 172.9019 99 R 4.0162 7.6363 120.8169 54.2551 30.5873 175.1722 100 L 4.1660 8.1655 117.8274 55.3314 40.0449 176.5595 101 V 3.6940 8.5693 110.0914 62.6390 31.7502 176.5208 102 V 3.7993 8.3914 125.1364 65.1635 32.0086 174.9455 103 P 4.6463 0.0000 0.0000 62.0510 33.1346 174.4793 104 S 4.7333 8.4196 113.9124 57.2366 65.2421 174.2661 105 H 4.0175 9.3647 122.1844 58.2266 28.2016 175.1182 106 K 3.7634 7.2463 123.0746 57.1882 32.0319 176.0658 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 S 8.32 4.43 0.00 3.89 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 2 I 7.23 3.84 1.97 0.00 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.22 0.95 0.00 0.00 3 Q 9.57 3.85 0.00 1.53 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.35 0.00 0.00 0.00 0.00 0.00 2.76 2.46 0.00 4 A 7.93 4.25 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 5 E 7.07 4.88 0.00 1.73 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.70 0.00 6 E 7.59 4.83 0.00 1.76 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 0.00 2.10 2.02 0.00 7 W 6.81 4.94 0.00 3.57 3.33 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 8 Y 6.86 5.13 0.00 2.73 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 9 F 9.71 4.27 0.00 2.85 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 10 G 5.90 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 0.00 0.00 0.00 0.00 11 K 8.29 4.62 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.45 7.81 12 L 7.53 4.60 0.00 1.59 1.53 1.00 1.13 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 13 G 8.02 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 0.00 0.00 0.00 0.00 14 R 8.25 4.05 0.00 1.64 1.92 0.00 2.89 0.00 0.00 3.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 15 K 7.71 4.32 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.37 7.81 16 D 8.01 4.37 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.61 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 18 E 8.07 3.91 0.00 2.22 2.26 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 2.49 2.33 0.00 19 R 7.87 4.24 0.00 1.97 1.97 0.00 3.27 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 20 Q 8.06 4.24 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 21 L 7.77 4.34 0.00 1.89 1.69 0.83 0.50 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 22 L 7.56 4.14 0.00 1.73 1.80 0.98 1.22 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 23 S 7.58 4.28 0.00 3.92 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 24 F 8.40 3.84 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.53 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 26 N 7.47 4.77 0.00 2.55 2.73 0.00 0.00 7.19 7.88 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 27 P 0.00 4.61 0.00 2.19 2.06 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 28 R 7.90 4.83 0.00 2.22 2.36 0.00 3.31 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 29 G 9.07 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 30 T 7.58 4.68 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 31 F 9.44 5.66 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 32 L 8.10 4.72 0.00 1.05 1.42 0.50 -0.15 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 33 I 8.14 5.81 2.23 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 1.15 1.76 0.99 0.00 0.00 34 R 7.92 5.46 0.00 2.07 1.95 0.00 3.16 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.00 35 E 8.97 4.38 0.00 1.80 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 1.76 1.95 0.00 36 S 8.77 4.32 0.00 3.79 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 37 E 8.69 4.50 0.00 1.93 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 2.25 2.26 0.00 38 T 7.55 3.96 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 1.21 0.00 0.00 39 T 7.34 4.64 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 40 K 8.62 3.95 0.00 1.78 1.90 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 41 G 7.28 4.95 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 42 A 6.95 4.52 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 43 Y 7.99 5.29 0.00 2.93 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 44 S 8.79 5.01 0.00 3.96 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 45 L 8.49 5.94 0.00 1.83 1.76 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.38 4.93 0.00 3.64 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 47 I 8.20 4.35 0.56 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 0.74 0.57 0.50 0.00 0.00 48 R 8.36 4.89 0.00 1.84 2.05 0.00 3.33 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 49 D 8.73 5.13 0.00 2.87 2.50 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 50 W 8.72 4.61 0.00 3.44 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 51 D 6.19 3.93 0.00 2.22 1.84 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 52 D 7.49 4.68 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 M 6.64 4.54 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 54 K 7.74 4.10 0.00 1.68 1.78 0.00 1.26 0.00 0.00 1.67 0.00 0.00 2.68 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.89 0.88 7.81 55 G 6.32 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 0.00 0.00 0.00 56 D 8.71 5.07 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.04 4.89 0.00 3.24 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.99 5.05 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 0.69 0.00 0.00 1.00 0.00 0.00 59 K 7.95 4.48 0.00 1.73 1.52 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.29 7.81 60 H 7.97 5.15 0.00 2.97 3.09 0.00 5.69 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 61 Y 8.80 4.40 0.00 3.19 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 62 K 8.71 4.09 0.00 1.78 1.80 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.47 7.81 63 I 8.70 4.26 1.91 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 0.96 0.52 0.81 0.00 0.00 64 R 7.96 4.73 0.00 1.47 0.85 0.00 3.16 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 65 K 8.04 5.01 0.00 2.03 1.68 0.00 1.23 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.15 0.72 7.81 66 L 8.80 4.40 0.00 1.91 1.61 1.07 1.06 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 67 D 8.60 4.45 0.00 2.66 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 68 N 8.03 4.47 0.00 2.71 2.85 0.00 0.00 7.22 7.66 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 69 G 9.21 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 0.00 0.00 0.00 70 G 7.53 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 5.30 0.00 3.06 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 72 Y 8.43 5.34 0.00 3.59 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 73 I 8.97 3.93 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 1.17 0.00 0.00 74 T 7.98 4.95 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 1.38 0.00 0.00 75 T 8.72 3.44 3.97 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 1.15 0.00 0.00 76 R 8.09 3.96 0.00 1.82 2.05 0.00 3.31 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 77 A 7.93 4.45 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 78 Q 8.41 5.31 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.42 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 79 F 8.96 4.55 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.06 4.25 0.00 2.11 2.11 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 2.33 2.29 0.00 81 T 7.47 4.94 4.36 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 1.30 0.00 0.00 82 L 8.50 3.76 0.00 1.61 1.51 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.21 3.77 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.60 2.72 0.00 84 Q 7.92 4.03 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 85 L 7.47 2.84 0.00 0.91 1.71 -0.54 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 86 V 6.99 2.97 0.67 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 -2.10 0.00 0.00 0.16 0.00 0.00 87 Q 7.05 3.84 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 88 H 7.81 4.32 0.00 3.49 3.17 0.00 5.83 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 89 Y 8.43 4.60 0.00 2.79 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 90 S 7.67 4.10 0.00 4.08 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 91 E 7.71 4.43 0.00 1.78 1.91 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 2.21 2.25 0.00 92 R 6.98 4.54 0.00 1.61 1.60 0.00 3.00 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 93 A 8.26 3.65 1.14 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 0.00 0.00 94 A 7.25 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.44 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 96 L 7.16 4.24 0.00 0.27 1.17 0.70 0.39 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 97 S 8.53 4.29 0.00 4.22 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 0.00 98 S 7.33 4.33 0.00 3.81 2.63 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 99 R 7.64 4.02 0.00 2.14 1.85 0.00 3.20 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 100 L 8.17 4.17 0.00 1.80 1.73 0.95 0.22 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 0.00 101 V 8.57 3.69 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 1.00 0.00 0.00 1.26 0.00 0.00 102 V 8.39 3.80 2.25 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 0.75 0.00 0.00 0.95 0.00 0.00 103 P 0.00 4.65 0.00 2.24 2.11 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 104 S 8.42 4.73 0.00 3.86 3.81 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 0.00 105 H 9.36 4.02 0.00 3.23 3.49 0.00 5.59 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 0.00 106 K 7.25 3.76 0.00 1.74 1.76 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.38 7.81