NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4105 8.3049 120.3490 55.4651 33.3049 174.0908 2 V 4.4316 8.0124 116.5923 58.8856 35.8456 172.6722 3 D 4.6828 8.0337 118.9156 53.5999 45.3419 174.3331 4 L 3.9474 8.8260 130.9592 56.6170 41.8565 176.6828 5 E 3.9931 8.0012 115.4305 59.1025 29.5861 177.9367 6 Q 4.1702 7.9427 118.3764 57.9498 29.5558 175.9402 7 E 4.2685 7.5936 117.3719 55.4884 30.0510 176.6782 8 F 4.1907 8.4123 117.0543 57.2181 38.4295 174.7165 9 A 4.4818 8.1469 124.2931 49.9435 21.9071 175.4345 10 L 4.3754 8.4604 123.0373 56.8081 41.0290 176.4556 11 G 4.0086 8.9540 114.2418 45.4150 0.0000 172.0386 12 G 3.9156 8.0839 107.4695 45.5471 0.0000 174.0734 13 R 4.5452 8.3164 119.4635 55.9161 32.3980 174.9530 14 C 5.2375 8.7583 114.4450 57.7301 33.7909 172.5276 15 L 5.1807 9.1889 117.7143 53.1613 45.7915 175.7915 16 A 5.1973 9.1581 124.8726 50.0893 21.8697 174.8996 17 F 4.5513 9.3787 126.2419 58.6394 39.8546 174.6441 18 H 4.7310 10.8443 122.0616 56.7777 30.0886 174.6879 19 G 4.1821 8.2082 112.6634 45.4366 0.0000 172.0063 20 P 4.4041 0.0000 0.0000 64.3912 31.9223 175.7936 21 L 4.5151 7.4993 116.9479 54.1493 44.9620 173.3026 22 M 4.8016 7.7181 117.1644 53.6643 34.8899 174.2976 23 Y 5.1893 8.5098 119.7322 55.9414 42.3828 174.7604 24 E 4.5478 9.2538 123.7110 56.4330 31.2079 175.2176 25 A 5.2121 9.1809 126.8210 49.1616 23.5070 175.4611 26 K 4.6108 8.1713 119.7829 54.8973 34.5852 175.1718 27 I 4.1041 8.2287 129.4268 62.1009 37.7889 175.3802 28 L 4.6357 9.0760 127.6909 55.9151 44.8399 175.5493 29 K 4.8604 8.2711 119.7470 55.1675 33.8086 174.6377 30 I 5.3800 9.3155 121.3479 59.0695 41.0322 174.2979 31 W 5.3747 8.9698 132.8874 55.9439 34.6364 173.6271 32 D 4.7390 7.2952 124.1809 52.0780 43.3665 174.1500 33 P 3.9983 0.0000 0.0000 64.2894 31.5930 178.3522 34 S 4.1491 8.2605 115.7930 61.0053 62.7354 175.0195 35 S 4.3900 7.1447 112.6624 56.8261 64.7625 173.7550 36 K 2.4800 6.7858 118.1465 56.7081 30.0393 172.9117 37 M 4.9445 6.2962 116.3619 54.2835 36.8949 173.0178 38 Y 5.5269 7.3834 117.3659 56.5444 41.7772 174.2384 39 T 4.8802 8.9566 106.5635 61.8574 72.5576 172.2877 40 S 5.2565 8.4194 116.3758 57.9258 66.2864 172.6779 41 I 5.3192 8.3459 114.4087 57.4951 41.0366 172.8791 42 P 4.7086 0.0000 0.0000 63.3667 31.1817 176.8459 43 N 4.5102 7.9290 122.2105 57.4149 39.8912 174.0891 44 D 4.4209 7.5584 120.5803 52.7102 42.9307 174.3504 45 K 4.6713 8.3106 115.9459 54.6006 35.2044 174.2605 46 P 4.3115 0.0000 0.0000 66.3148 31.7117 176.1580 47 G 3.5324 7.5709 110.5037 45.9192 0.0000 175.3251 48 G 3.8186 8.4394 109.0334 46.8135 0.0000 173.4459 49 S 4.7855 7.5943 114.9388 56.7364 66.9160 175.0780 50 S 4.1625 8.6418 117.9709 61.2228 62.9397 173.5760 51 Q 4.4935 7.3950 118.2114 55.8060 31.4383 172.3926 52 A 4.6874 8.1356 120.0479 52.9316 18.7407 178.3892 53 T 3.3379 7.6680 108.2626 63.2038 70.3898 174.3380 54 K 4.3907 7.0256 120.6681 54.9013 36.0889 173.9937 55 E 4.3643 8.8794 119.4383 56.8756 28.7839 176.4810 56 I 3.9958 8.4630 126.1072 60.7310 37.7546 176.5508 57 K 4.2562 8.6655 127.1422 55.4367 32.8546 175.0939 58 P 4.7509 0.0000 0.0000 62.6270 31.6045 175.7531 59 Q 4.4799 7.6997 121.9269 53.3128 32.9035 174.7590 60 K 3.8462 8.6682 119.6077 57.2941 32.4588 176.5331 61 L 4.9284 8.3359 123.1600 53.7291 42.9158 175.6402 62 G 4.3043 8.9413 106.7156 45.6670 0.0000 175.3358 63 E 4.1441 8.4777 122.2549 58.8997 29.6363 178.2426 64 D 4.6149 7.6663 111.8754 54.7792 43.9965 173.7915 65 E 4.8557 7.7247 114.9167 55.8191 32.5543 174.1247 66 S 4.6973 8.5359 115.0611 57.1395 66.9004 173.8269 67 I 3.6684 7.6724 119.1649 58.5415 38.2093 174.0594 68 P 4.3676 0.0000 0.0000 62.0165 31.8036 177.1474 69 E 3.9494 8.6549 119.1294 59.3221 28.9844 179.0610 70 E 3.8664 8.1835 118.8080 58.8486 30.0064 177.8541 71 I 4.2175 7.6832 111.5968 62.0514 38.5451 177.5829 72 I 3.7382 6.9409 121.1882 64.2808 37.0138 176.7051 73 N 4.6091 8.0118 112.5919 53.6974 37.0186 173.7560 74 G 4.2813 7.8191 105.1446 44.6379 0.0000 172.6859 75 K 4.0721 8.7719 118.1237 57.5463 32.8488 176.2448 76 C 4.8168 8.6696 121.3712 57.7866 32.4975 173.3044 77 F 5.3222 8.9116 119.5628 55.6902 42.7051 173.9983 78 F 4.8465 10.0347 128.6411 58.1694 40.2121 174.0136 79 I 5.0248 8.2028 120.2788 59.1312 41.0265 174.1426 80 H 4.9041 8.5893 124.5873 54.9986 30.6256 173.9221 81 Y 4.8897 8.1501 124.7115 57.8146 38.2796 175.6669 82 Q 4.3908 9.1664 124.4838 56.4780 29.7099 177.3525 83 G 3.4637 8.8906 108.1987 45.5534 0.0000 173.0812 84 W 4.9801 7.1098 117.5296 53.8968 33.2759 175.0638 85 K 4.0532 8.2544 118.6721 56.8386 32.0458 178.6980 86 S 4.2886 8.7886 118.2813 60.8921 63.0038 176.6406 87 S 4.2170 8.2006 115.8161 61.2519 61.3716 175.0361 88 W 4.3884 8.8659 119.3636 57.0145 28.5758 175.3120 89 D 4.5642 8.1202 120.3003 54.7806 40.2678 174.8425 90 E 4.6068 8.1567 123.4700 54.0166 33.6486 174.4549 91 W 5.6637 8.7615 124.2326 56.2893 30.3691 175.8394 92 V 4.5937 8.4263 114.0878 59.8751 36.1578 175.0704 93 G 4.3909 8.4030 109.5798 44.6237 0.0000 174.3672 94 Y 4.1066 8.6966 115.9778 59.7293 38.0466 178.3835 95 D 4.6763 8.4125 118.5970 56.7543 41.4500 176.8978 96 R 4.7036 8.4701 116.2021 55.8002 33.5825 175.5798 97 I 5.0482 7.3386 115.8711 59.4748 40.9927 174.6627 98 R 4.9672 8.7037 123.5764 54.3603 35.0630 174.6754 99 A 4.7081 8.6069 122.9479 51.4410 19.9750 176.4015 100 Y 4.2795 8.7467 121.7107 57.9090 39.2178 174.7889 101 N 4.6219 8.0611 121.9464 50.6596 40.0429 174.9007 102 E 3.8433 8.5414 119.1132 59.3306 29.5726 178.4251 103 E 3.9696 8.1688 119.0604 59.1370 29.7380 178.0332 104 N 4.5156 8.4607 115.8041 55.2479 38.7540 177.1585 105 I 3.7094 7.5320 121.1930 63.3680 37.3115 178.0011 106 A 4.0211 8.2699 122.7827 55.0886 18.1709 179.4845 107 M 4.0330 8.1284 115.6450 58.3687 31.2864 178.5640 108 K 3.7573 7.9825 121.4062 59.0543 32.4815 178.8869 109 K 4.0523 8.5129 119.3923 59.9251 32.3126 178.9789 110 R 3.9090 7.8890 119.0740 59.0486 30.2035 178.3569 111 L 4.1276 8.1495 118.5598 57.8791 41.6364 179.3130 112 A 4.0837 8.4747 120.8866 55.0581 17.9810 179.0836 113 N 4.2483 7.8913 114.4509 56.2881 39.0211 176.0429 114 L 4.2862 8.0014 120.6448 56.1404 42.4629 175.7853 115 E 4.1407 7.6758 123.9849 56.6543 29.5461 176.1002 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 8.30 4.41 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 V 8.01 4.43 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 0.80 0.00 0.00 0.93 0.00 0.00 3 D 8.03 4.68 0.00 2.54 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 0.00 0.00 0.00 0.00 4 L 8.83 3.95 0.00 1.91 1.71 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.00 3.99 0.00 2.01 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 2.45 2.26 0.00 6 Q 7.94 4.17 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 7 E 7.59 4.27 0.00 1.97 1.55 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 2.30 2.20 0.00 8 F 8.41 4.19 0.00 2.51 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 9 A 8.15 4.48 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 10 L 8.46 4.38 0.00 1.73 1.73 1.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.95 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 0.00 0.00 0.00 0.00 12 G 8.08 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 13 R 8.32 4.55 0.00 1.29 1.36 0.00 2.22 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.00 14 C 8.76 5.24 0.00 2.94 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 15 L 9.19 5.18 0.00 1.52 1.50 1.06 0.65 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 16 A 9.16 5.20 1.30 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 0.00 0.00 0.00 17 F 9.38 4.55 0.00 3.30 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 18 H 10.84 4.73 0.00 3.38 3.41 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.21 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 0.00 0.00 0.00 0.00 20 P 0.00 4.40 0.00 2.16 2.22 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 21 L 7.50 4.52 0.00 1.62 0.84 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.72 4.80 0.00 1.23 0.57 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.44 0.00 23 Y 8.51 5.19 0.00 3.28 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 24 E 9.25 4.55 0.00 2.20 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 2.42 2.67 0.00 25 A 9.18 5.21 1.05 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 26 K 8.17 4.61 0.00 1.76 1.64 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 27 I 8.23 4.10 2.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.84 1.17 0.00 0.00 28 L 9.08 4.64 0.00 1.69 1.85 1.00 0.68 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 29 K 8.27 4.86 0.00 1.70 1.33 0.00 1.37 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.72 7.81 30 I 9.32 5.38 2.21 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.22 1.43 0.00 0.00 31 W 8.97 5.37 0.00 3.23 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.30 4.74 0.00 2.70 2.18 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 33 P 0.00 4.00 0.00 2.19 2.49 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 34 S 8.26 4.15 0.00 3.75 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 35 S 7.14 4.39 0.00 3.53 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 36 K 6.79 2.48 0.00 1.74 1.86 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.35 7.81 37 M 6.30 4.94 0.00 1.99 1.69 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 38 Y 7.38 5.53 0.00 3.73 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 39 T 8.96 4.88 4.35 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 1.28 0.00 0.00 40 S 8.42 5.26 0.00 4.05 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 41 I 8.35 5.32 1.92 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 1.10 1.48 1.01 0.00 0.00 42 P 0.00 4.71 0.00 2.12 2.30 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 43 N 7.93 4.51 0.00 2.67 2.93 0.00 0.00 6.74 8.33 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 44 D 7.56 4.42 0.00 2.60 2.28 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 45 K 8.31 4.67 0.00 2.00 1.81 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.45 7.81 46 P 0.00 4.31 0.00 2.16 2.33 0.00 3.91 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 2.12 2.23 0.00 47 G 7.57 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 0.00 0.00 0.00 0.00 48 G 8.44 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 49 S 7.59 4.79 0.00 3.86 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 50 S 8.64 4.16 0.00 3.87 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 51 Q 7.40 4.49 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.53 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 52 A 8.14 4.69 1.30 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 0.00 0.00 0.00 53 T 7.67 3.34 4.27 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 1.23 0.00 0.00 54 K 7.03 4.39 0.00 1.88 1.71 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 55 E 8.88 4.36 0.00 1.90 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 2.34 2.44 0.00 56 I 8.46 4.00 2.08 0.00 0.00 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 1.30 0.82 1.04 0.00 0.00 57 K 8.67 4.26 0.00 1.60 1.69 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81 58 P 0.00 4.75 0.00 1.89 2.00 0.00 3.25 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 59 Q 7.70 4.48 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 60 K 8.67 3.85 0.00 1.78 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 61 L 8.34 4.93 0.00 2.08 2.30 1.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.94 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 0.00 0.00 0.00 0.00 63 E 8.48 4.14 0.00 1.91 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 2.38 2.41 0.00 64 D 7.67 4.61 0.00 2.51 2.45 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 65 E 7.72 4.86 0.00 1.92 1.60 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 2.45 1.47 0.00 66 S 8.54 4.70 0.00 3.84 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 67 I 7.67 3.67 0.69 0.00 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 -0.36 -1.10 0.00 0.00 68 P 0.00 4.37 0.00 2.17 2.15 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 69 E 8.65 3.95 0.00 2.00 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 0.00 2.38 2.34 0.00 70 E 8.18 3.87 0.00 1.92 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 2.28 2.37 0.00 71 I 7.68 4.22 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.16 0.89 0.00 0.00 72 I 6.94 3.74 1.99 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 0.93 0.31 1.08 0.00 0.00 73 N 8.01 4.61 0.00 2.83 2.95 0.00 0.00 5.98 7.24 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 74 G 7.82 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 75 K 8.77 4.07 0.00 1.83 1.45 0.00 1.14 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.29 7.81 76 C 8.67 4.82 0.00 2.39 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 0.00 0.00 0.00 0.00 77 F 8.91 5.32 0.00 2.98 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 78 F 10.03 4.85 0.00 2.11 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 79 I 8.20 5.02 1.63 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.25 0.92 0.00 0.00 80 H 8.59 4.90 0.00 3.37 3.22 0.00 5.62 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 81 Y 8.15 4.89 0.00 3.29 3.02 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 82 Q 9.17 4.39 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 5.88 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 83 G 8.89 3.46 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 0.00 84 W 7.11 4.98 0.00 2.60 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 0.00 0.00 0.00 0.00 85 K 8.25 4.05 0.00 1.87 1.81 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.48 7.81 86 S 8.79 4.29 0.00 3.95 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 0.00 87 S 8.20 4.22 0.00 4.06 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 88 W 8.87 4.39 0.00 3.46 3.32 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 89 D 8.12 4.56 0.00 2.64 2.18 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 90 E 8.16 4.61 0.00 2.08 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 2.19 2.41 0.00 91 W 8.76 5.66 0.00 2.97 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 92 V 8.43 4.59 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 0.85 0.00 0.00 0.96 0.00 0.00 93 G 8.40 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 94 Y 8.70 4.11 0.00 3.22 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 95 D 8.41 4.68 0.00 2.67 2.77 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 96 R 8.47 4.70 0.00 1.83 2.13 0.00 3.32 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 97 I 7.34 5.05 1.86 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 1.09 1.44 0.73 0.00 0.00 98 R 8.70 4.97 0.00 1.84 1.86 0.00 3.41 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 99 A 8.61 4.71 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.75 4.28 0.00 2.97 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 0.00 101 N 8.06 4.62 0.00 2.91 2.85 0.00 0.00 5.91 7.70 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 0.00 102 E 8.54 3.84 0.00 2.06 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 2.35 2.40 0.00 103 E 8.17 3.97 0.00 2.07 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 0.00 2.40 2.42 0.00 104 N 8.46 4.52 0.00 2.79 2.79 0.00 0.00 7.37 7.29 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 0.00 105 I 7.53 3.71 1.89 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.05 0.82 0.00 0.00 106 A 8.27 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 0.00 107 M 8.13 4.03 0.00 2.33 2.50 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 108 K 7.98 3.76 0.00 1.87 1.96 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.47 7.81 109 K 8.51 4.05 0.00 1.96 2.03 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.69 1.43 7.81 110 R 7.89 3.91 0.00 1.90 2.24 0.00 3.48 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 111 L 8.15 4.13 0.00 1.94 1.63 0.46 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.47 4.08 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 0.00 113 N 7.89 4.25 0.00 2.73 3.13 0.00 0.00 7.50 7.79 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 0.00 114 L 8.00 4.29 0.00 1.67 1.90 0.95 0.90 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 0.00 115 E 7.68 4.14 0.00 1.96 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 2.36 2.34 0.00