NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1898 8.1633 120.2514 54.9240 34.1869 173.6722 2 K 4.5655 7.7425 120.2261 53.9143 34.4685 174.0413 3 W 4.9576 10.1118 126.5839 54.8873 32.7740 174.2009 4 E 5.3324 8.7988 122.2974 54.9851 31.4668 175.1862 5 M 4.8105 8.6757 119.7933 54.0520 34.9087 174.5477 6 G 4.2532 8.7537 107.7740 46.5233 0.0000 172.8820 7 L 4.5318 8.9091 121.9999 53.3978 45.7252 175.5493 8 Q 4.1740 8.7426 124.9770 55.7432 29.7940 176.6694 9 E 3.8881 9.0488 122.3513 59.7405 29.0364 179.2676 10 E 3.8557 7.9589 116.6847 59.6340 29.3993 178.4718 11 Y 4.3464 7.5249 117.2398 60.4025 37.9707 177.8399 12 I 3.6720 7.4791 120.6507 64.3449 37.2134 178.0183 13 E 3.9239 8.0616 119.5384 59.3318 29.6225 178.6554 14 L 4.0415 7.6575 118.3571 57.7594 41.6219 179.7014 15 I 4.1406 7.8314 121.1829 63.8259 36.8901 178.5395 16 K 4.0140 7.8780 117.9728 59.3139 31.9964 178.6092 17 A 4.2743 8.0444 118.6484 52.5180 18.5577 178.3620 18 G 3.9284 7.9087 105.4886 45.4529 0.0000 175.0070 19 K 3.9896 7.9935 119.2051 58.5202 32.5509 177.2508 20 K 4.4079 8.0267 123.7704 55.6625 31.4993 176.3963 21 K 4.6374 8.6780 125.8524 56.3283 33.6573 176.2950 22 I 5.1123 7.6432 120.2791 59.2843 40.9697 174.2292 23 E 4.5446 9.3074 127.4066 54.4124 31.7626 174.7468 24 G 4.4680 8.8306 114.5528 45.5195 0.0000 172.5543 25 R 4.9028 8.6829 121.6156 54.3154 35.5506 174.2240 26 L 4.0403 7.7233 120.3223 54.2814 42.1571 177.7890 27 Y 4.5763 8.0726 126.6949 56.7846 36.4908 173.5968 28 D 3.8055 7.1138 122.2889 51.6779 42.4059 177.2882 29 E 3.7159 8.1886 117.7006 59.7591 29.0256 179.1334 30 K 3.8649 7.6908 118.8109 59.5411 32.3306 178.9233 31 R 3.4877 8.0811 117.8146 58.4214 29.7334 178.3849 32 R 4.1551 7.3866 115.4803 56.5253 29.7550 176.6285 33 Q 4.4809 6.8337 115.0064 55.5676 29.1973 175.1399 34 I 4.5332 7.0458 119.4631 60.1764 38.6508 175.1967 35 K 4.7234 9.1547 122.3245 54.1566 35.7398 173.9440 36 P 4.6324 0.0000 0.0000 64.5169 31.6277 176.3271 37 G 4.0979 8.9266 110.9078 45.7396 0.0000 173.8320 38 D 4.8525 8.2075 119.4673 54.1690 42.6598 175.3148 39 I 4.9791 8.8015 120.3347 59.6755 40.8563 174.9337 40 I 4.7714 8.6026 126.3273 59.5554 40.2465 174.5417 41 I 4.5805 9.0201 129.1673 59.8765 38.6241 174.7624 42 F 5.1809 9.4083 127.1869 56.8168 40.6573 175.7629 43 E 3.9055 9.8296 122.2422 57.8018 28.0444 174.9609 44 G 3.7776 9.0312 100.7131 46.7129 0.0000 173.1753 45 G 4.0312 8.0467 107.1085 44.7095 0.0000 176.4395 46 K 4.1376 7.6187 118.9318 58.6621 32.5494 176.9045 47 L 4.5766 7.4256 119.6241 53.8137 46.1297 173.4808 48 K 5.1277 8.7500 126.3314 54.8213 35.3721 174.9560 49 V 5.0229 8.7123 118.9238 59.6056 36.6212 174.0812 50 K 4.6756 9.0658 124.3393 55.0453 34.3566 175.4576 51 V 4.3550 8.7159 127.7096 62.5737 31.9069 176.2214 52 K 4.3546 9.2621 127.8423 57.2819 33.6426 176.7060 53 G 4.2069 7.6003 104.6401 45.4511 0.0000 172.5325 54 I 5.1117 8.2549 121.0028 59.4617 40.7924 175.0938 55 R 4.3672 8.7963 125.8344 54.2408 33.6106 174.4627 56 V 4.3434 7.8678 123.6263 61.2874 33.4919 174.0748 57 Y 4.8735 9.0334 124.8276 56.0767 41.8581 176.4785 58 S 4.5293 8.8636 114.2037 60.0782 64.0689 174.4966 59 S 4.5204 7.3522 114.8604 56.1680 66.6323 175.0076 60 F 4.0638 9.1398 121.9135 60.2148 38.5478 177.9715 61 K 3.9467 8.1391 118.9394 59.7831 32.0816 178.5403 62 E 3.9009 8.0317 118.5479 59.3999 29.2576 179.0204 63 M 2.5500 7.7034 118.1498 58.1564 32.2672 178.3190 64 L 3.9825 8.0932 119.3811 57.8582 41.5540 179.4113 65 E 3.9500 7.9282 117.6388 59.1110 29.4295 179.0089 66 K 4.0893 7.6278 118.8204 59.3751 32.4650 178.4388 67 E 4.3597 8.2433 117.6682 56.0324 29.8113 175.1724 68 G 3.8061 8.1249 111.3302 45.3638 0.0000 173.8567 69 I 3.6823 8.4537 126.2206 63.8403 38.2529 177.5518 70 E 4.1540 8.2084 120.4717 58.8573 29.8595 177.7288 71 N 4.7423 8.3611 115.3636 54.3392 39.2881 176.5996 72 V 4.1717 7.7722 116.1784 63.9309 33.2630 175.9517 73 L 4.7883 8.2295 120.4092 51.1427 41.7111 172.9317 74 P 4.9017 0.0000 0.0000 63.5316 32.1116 175.6508 75 G 4.0477 8.7793 110.6085 45.5929 0.0000 174.2034 76 V 3.7398 7.3205 119.7822 62.5345 31.6800 176.1362 77 K 4.2010 8.7096 127.5459 58.3223 32.6343 177.6209 78 S 4.8329 7.5911 112.2466 55.7622 67.2572 175.0977 79 I 3.7742 8.2115 123.2113 64.4432 36.8824 178.5874 80 E 3.9888 8.1287 119.1038 59.5183 29.3835 179.0442 81 E 4.0621 8.2867 118.7447 59.1913 29.3546 179.5508 82 G 3.6392 8.1402 105.8005 48.0112 0.0000 175.8112 83 V 3.8259 8.1880 121.4522 65.6077 31.2494 178.1988 84 K 3.9603 7.7501 117.4663 59.2348 32.0020 178.9859 85 V 3.5574 7.5649 118.5124 66.4369 31.3503 177.8534 86 Y 4.1509 7.4298 116.1517 60.8308 37.1811 178.2733 87 R 4.3479 7.9490 120.8464 58.6621 29.8835 178.4369 88 Q 3.8653 7.4245 117.1005 57.8425 28.6023 177.3645 89 F 4.5792 6.7640 114.3832 57.2069 40.3601 175.8232 90 Y 5.0426 8.1403 116.5619 55.6084 40.9344 175.1522 91 D 4.9064 8.7468 124.3547 52.9221 42.0160 177.2547 92 E 4.1099 8.7830 119.9341 59.6783 29.4753 179.5090 93 E 3.9766 8.2702 118.2016 59.5467 29.5190 179.4792 94 R 4.0325 8.5578 118.1288 59.0448 30.1145 178.6403 95 E 3.8982 8.3037 119.1432 59.4259 29.4658 179.1760 96 K 3.9700 8.0651 117.2861 59.1652 32.1227 179.0632 97 K 3.8909 7.8518 119.3084 58.9955 32.1624 177.6523 98 Y 4.6172 8.1778 115.2494 57.0164 39.4963 176.4809 99 G 3.8960 8.6618 106.2855 44.4527 0.0000 171.5851 100 V 4.6330 8.4823 117.5560 60.6775 34.9119 174.7340 101 V 4.7487 8.7935 126.2218 59.7713 34.4881 174.2047 102 A 4.8769 9.2965 126.3170 50.6105 20.9046 175.8131 103 I 4.5196 8.6803 125.0380 60.1209 39.0008 175.1717 104 E 4.6501 9.1730 130.7880 55.9332 30.3146 175.6121 105 I 5.2256 8.6189 120.2675 59.1310 41.2640 174.5728 106 E 4.6823 8.8381 123.4890 53.7698 32.6312 173.0286 107 P 4.8436 0.0000 0.0000 63.0191 32.3075 175.5945 108 I 4.4634 8.4806 124.8515 59.3515 39.0397 175.8311 109 E 4.1464 8.7814 125.4099 56.7065 29.3917 176.6825 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 8.16 4.19 0.00 0.83 1.84 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 2 K 7.74 4.57 0.00 1.42 1.52 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.35 7.81 3 W 10.11 4.96 0.00 3.17 3.01 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 4 E 8.80 5.33 0.00 1.87 1.87 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 2.20 2.27 0.00 5 M 8.68 4.81 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.40 0.00 6 G 8.75 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 0.00 0.00 0.00 0.00 7 L 8.91 4.53 0.00 1.33 1.42 0.57 0.21 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 8 Q 8.74 4.17 0.00 2.28 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.60 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 9 E 9.05 3.89 0.00 2.00 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 2.34 2.37 0.00 10 E 7.96 3.86 0.00 1.97 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 1.64 1.47 0.00 11 Y 7.52 4.35 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.48 3.67 2.02 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 1.38 0.81 0.93 0.00 0.00 13 E 8.06 3.92 0.00 2.01 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 2.37 2.39 0.00 14 L 7.66 4.04 0.00 1.97 1.76 1.00 0.86 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 15 I 7.83 4.14 2.02 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 1.72 1.79 0.98 0.00 0.00 16 K 7.88 4.01 0.00 1.92 1.90 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.73 7.81 17 A 8.04 4.27 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 18 G 7.91 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 19 K 7.99 3.99 0.00 1.90 1.89 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 20 K 8.03 4.41 0.00 1.85 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.35 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.57 7.81 21 K 8.68 4.64 0.00 1.79 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.58 7.81 22 I 7.64 5.11 1.91 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 1.26 0.91 0.97 0.00 0.00 23 E 9.31 4.54 0.00 2.13 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 2.45 2.38 0.00 24 G 8.83 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 25 R 8.68 4.90 0.00 1.69 1.72 0.00 3.36 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 26 L 7.72 4.04 0.00 1.30 1.37 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.07 4.58 0.00 2.72 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 28 D 7.11 3.81 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.19 3.72 0.00 1.78 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 2.29 2.39 0.00 30 K 7.69 3.86 0.00 1.69 1.79 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.41 7.81 31 R 8.08 3.49 0.00 2.02 1.92 0.00 3.17 0.00 0.00 3.00 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 32 R 7.39 4.16 0.00 1.60 1.63 0.00 2.75 0.00 0.00 2.88 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 33 Q 6.83 4.48 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.68 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.00 34 I 7.05 4.53 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.10 0.92 0.00 0.00 35 K 9.15 4.72 0.00 1.91 1.89 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.47 7.81 36 P 0.00 4.63 0.00 2.08 2.21 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 37 G 8.93 4.10 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 0.00 0.00 0.00 38 D 8.21 4.85 0.00 2.92 2.93 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 39 I 8.80 4.98 1.79 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 1.19 1.21 0.90 0.00 0.00 40 I 8.60 4.77 1.48 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 1.27 0.75 -0.06 0.00 0.00 41 I 9.02 4.58 1.83 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 1.16 0.96 0.92 0.00 0.00 42 F 9.41 5.18 0.00 3.13 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.83 3.91 0.00 2.22 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 2.27 2.33 0.00 44 G 9.03 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 0.00 0.00 0.00 45 G 8.05 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 46 K 7.62 4.14 0.00 1.81 1.93 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.56 7.81 47 L 7.43 4.58 0.00 1.94 1.63 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.75 5.13 0.00 1.85 1.61 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 49 V 8.71 5.02 2.27 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 0.89 0.00 0.00 0.99 0.00 0.00 50 K 9.07 4.68 0.00 1.84 1.68 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 51 V 8.72 4.36 2.21 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 1.06 0.00 0.00 1.00 0.00 0.00 52 K 9.26 4.35 0.00 1.64 1.85 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.54 7.81 53 G 7.60 4.21 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 0.00 0.00 0.00 54 I 8.25 5.11 1.83 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 1.35 0.98 0.82 0.00 0.00 55 R 8.80 4.37 0.00 1.73 1.49 0.00 3.13 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 56 V 7.87 4.34 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 57 Y 9.03 4.87 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.86 4.53 0.00 3.95 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 0.00 59 S 7.35 4.52 0.00 4.18 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 60 F 9.14 4.06 0.00 3.12 3.07 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 0.00 0.00 0.00 61 K 8.14 3.95 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.57 7.81 62 E 8.03 3.90 0.00 2.06 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 2.33 2.31 0.00 63 M 7.70 2.55 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 64 L 8.09 3.98 0.00 1.89 1.74 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.93 3.95 0.00 1.89 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 2.33 2.57 0.00 66 K 7.63 4.09 0.00 1.74 1.51 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.77 1.63 7.81 67 E 8.24 4.36 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 2.36 2.48 0.00 68 G 8.12 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 0.00 0.00 0.00 69 I 8.45 3.68 1.89 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 1.32 1.36 0.97 0.00 0.00 70 E 8.21 4.15 0.00 2.09 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 2.39 2.41 0.00 71 N 8.36 4.74 0.00 3.07 2.86 0.00 0.00 6.37 7.27 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 72 V 7.77 4.17 2.15 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 0.96 0.00 0.00 1.03 0.00 0.00 73 L 8.23 4.79 0.00 1.65 1.55 0.72 0.77 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 74 P 0.00 4.90 0.00 2.07 2.16 0.00 3.80 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.33 0.00 75 G 8.78 4.05 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 76 V 7.32 3.74 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 0.84 0.00 0.00 0.98 0.00 0.00 77 K 8.71 4.20 0.00 1.96 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.42 7.81 78 S 7.59 4.83 0.00 4.28 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.21 3.77 1.89 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 1.65 0.97 0.95 0.00 0.00 80 E 8.13 3.99 0.00 2.06 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 2.41 2.48 0.00 81 E 8.29 4.06 0.00 2.20 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 0.00 2.32 2.33 0.00 82 G 8.14 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.19 3.83 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.10 0.00 0.00 84 K 7.75 3.96 0.00 1.99 1.81 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 85 V 7.56 3.56 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 0.90 0.00 0.00 0.92 0.00 0.00 86 Y 7.43 4.15 0.00 2.65 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 0.00 0.00 0.00 0.00 87 R 7.95 4.35 0.00 2.11 2.01 0.00 3.26 0.00 0.00 3.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 88 Q 7.42 3.87 0.00 1.27 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 89 F 6.76 4.58 0.00 2.04 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 90 Y 8.14 5.04 0.00 3.27 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 91 D 8.75 4.91 0.00 2.96 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 92 E 8.78 4.11 0.00 2.09 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 2.49 2.49 0.00 93 E 8.27 3.98 0.00 2.23 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 2.43 2.37 0.00 94 R 8.56 4.03 0.00 2.23 2.25 0.00 3.27 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 95 E 8.30 3.90 0.00 2.25 2.21 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 2.22 2.02 0.00 96 K 8.07 3.97 0.00 1.93 1.83 0.00 1.59 0.00 0.00 1.99 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.48 7.81 97 K 7.85 3.89 0.00 1.59 1.57 0.00 1.46 0.00 0.00 0.88 0.00 0.00 2.48 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.40 1.07 7.81 98 Y 8.18 4.62 0.00 3.01 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 99 G 8.66 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 0.00 100 V 8.48 4.63 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.47 0.00 0.00 101 V 8.79 4.75 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 0.76 0.00 0.00 0.89 0.00 0.00 102 A 9.30 4.88 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 0.00 103 I 8.68 4.52 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.96 0.00 0.00 104 E 9.17 4.65 0.00 2.06 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 2.34 2.29 0.00 105 I 8.62 5.23 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 1.12 0.00 0.00 106 E 8.84 4.68 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 107 P 0.00 4.84 0.00 2.01 2.02 0.00 3.73 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 2.17 2.19 0.00 108 I 8.48 4.46 1.99 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 1.25 0.60 0.92 0.00 0.00 109 E 8.78 4.15 0.00 1.97 1.87 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 2.33 2.32 0.00