NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1947 8.0093 121.4339 61.5734 38.3358 175.4178 5 N 4.9449 8.6525 121.5541 49.7369 38.2295 172.3862 6 T 4.6014 8.5168 110.4759 60.7179 73.2152 175.8475 7 F 4.2653 8.4105 120.5915 61.1559 38.9734 177.5786 8 D 4.5599 8.3627 117.7149 57.4117 40.7029 178.9555 9 G 3.7220 7.8782 106.0760 48.0959 0.0000 175.9062 10 V 3.6967 8.1657 121.1572 65.1396 31.3949 177.7379 11 A 4.0855 8.1793 120.6752 55.5969 18.2565 179.4374 12 D 4.2680 8.5325 117.5833 57.4623 40.7774 178.4140 13 Y 3.9111 7.9153 119.6579 60.7005 38.8266 178.0975 14 L 3.9217 8.2953 120.2095 58.0393 41.5183 179.6870 15 Q 3.4605 7.4372 116.5181 58.6311 28.6209 178.3753 16 T 3.6581 7.1279 115.7989 65.2876 68.7959 175.8424 17 Y 4.3132 7.7781 116.7872 56.4973 38.9424 175.4309 18 H 3.4127 7.2454 116.4032 55.5639 27.0232 174.4468 19 K 4.5767 6.9541 110.7274 56.1328 35.4565 174.9887 20 L 4.2094 8.4369 120.3039 53.7354 42.6288 175.3131 21 P 3.8702 0.0000 0.0000 62.0606 31.8153 177.4657 22 D 4.4336 8.3814 119.5517 57.3357 40.9272 177.6248 23 N 4.4588 8.0182 114.5721 53.6639 37.9731 173.7324 24 Y 5.0849 7.7113 117.4661 57.0190 40.4735 174.6231 25 I 5.5185 8.5274 113.9299 59.1402 41.7838 174.6994 26 T 4.7840 8.5572 113.9101 60.4384 70.4142 175.6615 27 K 4.1383 9.4460 121.5477 59.4207 31.9120 180.0196 28 S 4.3023 8.1221 114.7087 61.3431 63.2545 176.2577 29 E 4.0214 8.0786 120.8663 59.0633 29.3674 179.0266 30 A 4.0636 8.2160 121.8269 54.7805 18.4534 179.5102 31 Q 4.2700 8.9258 116.8456 59.2167 28.6453 178.8472 32 A 4.0621 7.8721 120.1117 55.3716 18.5944 179.4048 33 L 4.2097 7.8863 114.6070 55.7560 41.6509 178.0809 34 G 4.1438 7.8610 107.5236 44.7714 0.0000 173.7507 35 W 4.4086 8.4350 130.6759 57.1567 31.1972 175.7204 36 V 3.7996 9.5607 125.5305 60.5431 32.6889 175.4118 37 A 3.6569 7.6421 130.8275 55.4274 18.0309 179.5617 38 S 4.5191 7.9834 110.8824 60.9915 63.0784 175.9371 39 K 4.2485 7.9481 121.0271 53.9800 32.1582 182.3076 40 G 2.9460 7.5056 105.3914 47.2194 0.0000 174.4130 41 N 5.1267 7.9284 112.8215 51.3011 38.2504 175.8879 42 L 3.8846 8.5494 122.8595 58.8989 41.8418 178.5469 43 A 4.3392 8.1171 116.9531 53.2968 18.8419 177.3190 44 D 4.6568 8.7654 117.1377 55.9012 41.8366 179.0415 45 V 4.0431 7.7396 109.7187 62.5984 33.0914 176.5107 46 A 4.6879 8.4961 122.8316 49.5591 19.3622 173.5769 47 P 4.3526 0.0000 0.0000 63.6244 32.3247 177.7733 48 G 3.9685 8.8698 110.5563 45.3416 0.0000 173.7047 49 K 4.4964 7.3914 118.0933 56.0859 33.3501 176.6682 50 S 4.5731 8.2699 117.9826 56.6927 67.4263 173.6094 51 V 4.3214 7.7703 115.2995 60.8260 32.6780 175.4153 52 G 4.2321 9.6528 110.1010 46.7879 0.0000 174.4175 53 G 4.3881 9.7026 109.6426 44.3834 0.0000 173.9802 54 D 4.7382 7.8978 119.6151 53.7797 42.3790 175.8935 55 I 4.2451 8.3897 122.4872 61.5383 38.0576 175.2831 56 F 4.7586 8.8865 129.6973 56.2922 39.9613 175.2868 57 S 3.9435 8.2149 122.1105 59.5748 62.8170 173.8497 58 N 3.9677 6.5705 117.3266 54.4795 36.4139 175.5459 59 R 4.1189 7.5486 116.4533 58.1508 30.8591 178.1882 60 E 4.0498 8.2279 116.0812 56.8688 29.7582 176.6952 61 G 4.0271 7.9907 106.2186 46.2186 0.0000 174.8960 62 K 4.1484 8.2847 119.3123 57.6574 32.6022 177.4227 63 L 4.1563 7.1535 118.2644 51.1813 43.7224 174.5255 64 P 4.2650 0.0000 0.0000 63.0516 31.5668 176.5219 65 G 4.0822 8.2947 111.7096 44.2199 0.0000 172.4831 66 K 4.1315 7.9921 116.1396 55.2582 34.6246 174.0249 67 S 4.1945 8.8975 121.5523 60.5735 62.8185 175.1029 68 G 3.8454 8.8657 113.2090 45.3164 0.0000 172.8309 69 R 3.9517 7.7173 120.4844 55.8664 30.9404 175.4364 70 T 4.6384 7.9632 121.2643 61.5098 71.6549 173.1805 71 W 5.0252 8.5914 123.9482 55.0338 32.5875 174.8426 72 R 5.2522 8.4669 121.6723 54.3361 34.2836 173.9104 73 E 5.4759 9.3097 117.9075 55.0129 33.7994 174.2722 74 A 5.0408 8.9145 120.7680 50.6451 22.9312 175.4991 75 D 5.0633 8.9204 121.8650 54.2797 41.4559 176.1045 76 I 4.4851 8.0889 121.9996 60.3497 40.5888 176.0744 77 N 4.1321 9.1067 121.5128 53.9187 36.4897 173.7590 78 Y 4.2855 7.4045 121.6067 57.4632 39.5763 174.7280 79 T 3.9718 7.3039 115.1966 62.2200 70.6236 173.8550 80 S 4.1955 6.4355 112.6345 58.1006 65.7847 175.3849 81 G 3.9007 8.6483 106.5324 45.5462 0.0000 173.2472 82 F 4.4614 8.5695 119.9298 56.9799 39.8004 175.4629 83 R 4.1159 8.8666 122.8143 56.8536 30.5813 177.0322 84 N 4.8893 8.5959 118.6072 52.4657 39.8342 174.6002 85 S 4.1734 8.4798 111.8862 58.8013 64.5183 173.0502 86 D 5.2807 8.5035 122.3209 53.6252 42.5456 175.7892 87 R 5.0634 9.1270 120.9358 54.7185 35.3298 173.6546 88 I 5.2091 9.0813 122.7524 59.4421 40.7930 174.0623 89 L 5.5544 9.4491 129.1179 53.1371 44.4164 175.0441 90 Y 5.7201 8.8205 121.6198 55.4378 41.4336 175.3949 91 S 3.8679 8.3473 118.6720 56.6704 64.6009 175.4225 92 S 3.3983 7.7878 115.1082 60.3237 62.6186 174.9386 93 D 4.5074 7.2373 118.1657 52.0112 39.3143 175.8032 94 W 3.8557 6.9406 117.5908 58.2126 27.1638 174.3786 95 L 4.5659 7.8731 117.7487 54.3072 42.3870 176.0897 96 I 5.4993 8.2813 121.8558 60.0324 40.3482 174.3389 97 Y 5.2692 9.7283 123.9264 56.1000 42.5465 174.3860 98 K 5.2757 9.1734 119.2568 55.6988 36.7244 175.0053 99 T 4.8674 8.9162 115.2328 60.5479 70.7439 174.0799 100 T 4.9944 8.7245 114.6566 60.0192 69.8478 173.3043 101 D 4.6856 7.0942 121.3533 53.9922 39.9934 174.8214 102 H 3.3807 8.2811 111.0098 58.4078 26.7203 175.0918 103 Y 3.0579 7.0523 108.6954 59.0975 36.3304 172.1678 104 Q 4.1833 7.7591 120.6975 58.3887 29.0509 176.8369 105 T 4.6817 7.4987 105.1515 59.6909 71.8539 172.9047 106 F 5.2662 8.5550 120.3452 56.1847 43.1478 174.2679 107 T 4.7452 8.9117 117.8099 61.4919 72.0256 173.3541 108 K 3.4565 8.4968 127.4297 55.8936 32.4646 176.4386 109 I 4.3917 8.4951 119.0608 60.6020 39.6952 175.8121 110 R 4.1919 7.5670 125.3841 56.5520 31.1025 174.6089 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 4 I 8.01 4.19 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.95 0.00 0.00 5 N 8.65 4.94 0.00 2.85 2.83 0.00 0.00 6.40 6.34 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 6 T 8.52 4.60 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 1.20 0.00 0.00 7 F 8.41 4.27 0.00 3.14 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 8 D 8.36 4.56 0.00 2.75 2.78 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 9 G 7.88 3.72 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 0.00 0.00 0.00 10 V 8.17 3.70 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 0.97 0.00 0.00 1.03 0.00 0.00 11 A 8.18 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.27 0.00 2.81 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 Y 7.92 3.91 0.00 3.24 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 14 L 8.30 3.92 0.00 1.93 1.69 0.62 0.78 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 15 Q 7.44 3.46 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 16 T 7.13 3.66 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 0.08 0.00 0.00 17 Y 7.78 4.31 0.00 2.18 2.47 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 18 H 7.25 3.41 0.00 3.25 3.46 0.00 5.71 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 19 K 6.95 4.58 0.00 2.01 1.86 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.59 7.81 20 L 8.44 4.21 0.00 1.67 1.56 0.77 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.87 0.00 2.14 1.03 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.40 0.00 22 D 8.38 4.43 0.00 2.61 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 23 N 8.02 4.46 0.00 2.75 2.89 0.00 0.00 6.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.71 5.08 0.00 3.01 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 25 I 8.53 5.52 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.98 0.94 0.00 0.00 26 T 8.56 4.78 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 27 K 9.45 4.14 0.00 1.99 2.23 0.00 1.86 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.67 1.50 7.81 28 S 8.12 4.30 0.00 4.10 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 29 E 8.08 4.02 0.00 2.26 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 0.00 2.31 2.35 0.00 30 A 8.22 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 31 Q 8.93 4.27 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 32 A 7.87 4.06 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 33 L 7.89 4.21 0.00 2.00 1.80 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.86 4.14 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 0.00 35 W 8.43 4.41 0.00 3.21 3.27 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 36 V 9.56 3.80 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 0.81 0.00 0.00 0.93 0.00 0.00 37 A 7.64 3.66 0.84 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 38 S 7.98 4.52 0.00 3.89 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 39 K 7.95 4.25 0.00 1.79 1.71 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.25 7.81 40 G 7.51 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 0.00 0.00 0.00 41 N 7.93 5.13 0.00 2.89 3.01 0.00 0.00 6.34 6.67 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 42 L 8.55 3.88 0.00 1.31 1.62 0.55 0.32 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 43 A 8.12 4.34 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 44 D 8.77 4.66 0.00 2.92 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 45 V 7.74 4.04 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 0.79 0.00 0.00 1.11 0.00 0.00 46 A 8.50 4.69 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 47 P 0.00 4.35 0.00 2.03 2.00 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 48 G 8.87 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 0.00 0.00 0.00 49 K 7.39 4.50 0.00 1.91 1.62 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.38 7.81 50 S 8.27 4.57 0.00 3.03 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.77 4.32 1.82 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 -0.21 0.00 0.00 0.86 0.00 0.00 52 G 9.65 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 0.00 0.00 0.00 0.00 53 G 9.70 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 54 D 7.90 4.74 0.00 2.72 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 55 I 8.39 4.25 1.88 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 1.24 0.74 0.96 0.00 0.00 56 F 8.89 4.76 0.00 2.90 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 57 S 8.21 3.94 0.00 3.83 3.76 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 58 N 6.57 3.97 0.00 2.92 2.85 0.00 0.00 7.23 7.65 0.00 0.00 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 R 7.55 4.12 0.00 1.73 1.88 0.00 3.13 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 60 E 8.23 4.05 0.00 1.98 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 2.34 2.37 0.00 61 G 7.99 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 62 K 8.28 4.15 0.00 1.98 2.14 0.00 2.02 0.00 0.00 1.98 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.56 7.81 63 L 7.15 4.16 0.00 0.76 0.18 -0.67 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.27 0.00 2.30 2.13 0.00 3.12 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 65 G 8.29 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 0.00 0.00 0.00 0.00 66 K 7.99 4.13 0.00 1.71 1.52 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 1.28 7.81 67 S 8.90 4.19 0.00 3.87 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 68 G 8.87 3.85 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 0.00 0.00 0.00 69 R 7.72 3.95 0.00 1.57 1.89 0.00 3.11 0.00 0.00 2.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.95 0.00 70 T 7.96 4.64 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 1.12 0.00 0.00 71 W 8.59 5.03 0.00 3.46 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 72 R 8.47 5.25 0.00 0.67 1.53 0.00 2.96 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 73 E 9.31 5.48 0.00 2.12 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 2.44 2.38 0.00 74 A 8.91 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.92 5.06 0.00 2.65 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 76 I 8.09 4.49 1.26 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.01 -0.22 0.00 0.00 77 N 9.11 4.13 0.00 2.74 2.90 0.00 0.00 6.93 7.43 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 78 Y 7.40 4.29 0.00 3.17 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 79 T 7.30 3.97 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 1.07 0.00 0.00 80 S 6.44 4.20 0.00 3.84 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 81 G 8.65 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 82 F 8.57 4.46 0.00 3.19 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 83 R 8.87 4.12 0.00 1.99 1.96 0.00 3.02 0.00 0.00 3.54 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 84 N 8.60 4.89 0.00 2.86 2.98 0.00 0.00 6.03 7.64 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 85 S 8.48 4.17 0.00 3.47 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 86 D 8.50 5.28 0.00 2.77 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 87 R 9.13 5.06 0.00 1.68 1.86 0.00 3.61 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.00 88 I 9.08 5.21 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.87 1.11 0.00 0.00 89 L 9.45 5.55 0.00 1.55 1.32 0.28 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.82 5.72 0.00 3.24 3.25 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 91 S 8.35 3.87 0.00 3.02 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 92 S 7.79 3.40 0.00 3.72 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 93 D 7.24 4.51 0.00 2.69 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 94 W 6.94 3.86 0.00 3.51 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.57 0.00 2.11 1.94 1.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.28 5.50 2.01 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 1.12 0.00 0.00 97 Y 9.73 5.27 0.00 2.82 2.91 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 98 K 9.17 5.28 0.00 1.18 1.56 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.01 1.13 7.81 99 T 8.92 4.87 3.53 0.00 0.00 0.00 0.00 0.00 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 0.00 100 T 8.72 4.99 4.34 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 1.26 0.00 0.00 101 D 7.09 4.69 0.00 2.80 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 0.00 102 H 8.28 3.38 0.00 3.23 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.05 3.06 0.00 3.33 3.40 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 0.00 104 Q 7.76 4.18 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 105 T 7.50 4.68 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 1.17 0.00 0.00 106 F 8.56 5.27 0.00 2.97 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 0.00 107 T 8.91 4.75 4.15 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 1.13 0.00 0.00 108 K 8.50 3.46 0.00 0.79 1.34 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 1.09 7.81 109 I 8.50 4.39 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.75 0.00 0.00 110 R 7.57 4.19 0.00 1.87 1.95 0.00 3.33 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00