NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7278 8.4293 116.2019 55.1524 30.3747 173.2571 2 C 4.2339 8.0004 113.9474 56.7950 30.3091 172.2476 3 D 4.6163 8.4368 118.7250 55.0465 40.0958 175.5355 4 L 4.0884 8.0813 120.5834 57.0241 42.2643 175.7295 5 P 4.5813 0.0000 0.0000 62.2938 32.3302 175.3403 6 C 4.3105 8.4824 113.2975 57.7528 30.6994 175.0140 7 G 3.8976 8.2132 107.5352 45.4265 0.0000 172.9012 8 V 4.1859 7.0877 119.1947 61.0544 32.5215 174.4163 9 Y 4.6736 7.9799 123.5843 56.6505 42.0922 174.4735 10 D 3.7426 7.9129 118.3172 51.7249 43.8171 174.6701 11 P 4.1115 0.0000 0.0000 64.4735 31.1970 178.0523 12 A 3.9838 8.6047 120.8993 55.1542 17.7337 179.6124 13 Q 3.8059 7.9435 116.2855 59.1034 28.7971 178.9634 14 A 4.0581 7.7817 121.1859 55.0326 18.4205 179.4037 15 R 3.8446 8.1767 117.3848 59.7789 30.2681 178.7551 16 I 3.7060 8.1479 119.9336 64.5253 37.0523 178.3559 17 E 4.0144 8.0341 118.6570 59.3102 29.3306 179.2335 18 A 4.0796 8.2296 120.8441 55.0853 18.3083 179.5766 19 E 3.9808 8.4812 117.7039 59.6168 29.4045 179.6827 20 S 4.1242 7.9198 114.9194 61.3004 62.8541 176.7731 21 V 3.5592 7.7216 121.0643 65.9447 31.2828 178.0548 22 K 4.1232 8.0411 119.0085 59.4866 32.0618 178.4668 23 A 4.0193 8.2339 121.2244 55.4027 18.1963 179.7366 24 I 3.7429 8.1352 118.5184 64.5691 37.0223 178.6615 25 Q 4.0075 8.1036 118.9698 59.0741 28.2980 178.8003 26 E 4.0312 8.2069 118.7728 59.3268 29.8535 179.2579 27 K 4.2355 8.1840 118.6676 59.6379 31.8916 179.3833 28 M 4.4094 8.5399 119.1896 58.2238 31.6924 178.2037 29 A 4.2010 8.0154 118.7638 53.5442 18.6536 177.5727 30 A 4.4932 7.6749 118.1600 51.6514 20.2056 176.2024 31 N 4.6596 7.9353 114.5418 52.1385 40.1651 172.9572 32 D 4.7890 8.6259 124.4693 53.2769 39.9330 176.6837 33 D 4.4412 8.6177 120.7563 54.3570 42.5970 176.1059 34 L 3.9388 8.6944 128.7065 59.0937 42.1443 179.1158 35 H 4.1785 8.3253 115.2758 58.6208 28.6754 177.5585 36 F 4.1975 8.9965 123.0309 61.3607 39.2608 177.1900 37 Q 3.9321 8.5270 118.0399 58.9075 28.3870 179.0327 38 I 3.6367 7.8368 120.6731 64.4761 37.1362 178.6442 39 R 3.8138 7.9947 118.5839 59.2116 29.8138 178.9940 40 A 3.7071 8.0396 120.7129 55.2920 18.2643 179.8542 41 T 3.7214 7.8331 114.1562 66.6741 68.4084 177.0161 42 V 3.5383 7.8658 120.2620 66.2478 31.5668 178.2095 43 I 4.0112 7.8964 121.0456 63.5984 36.8812 178.3261 44 K 3.9165 8.3582 121.0148 59.3306 32.0117 178.4467 45 E 3.9041 8.1809 119.6701 59.3400 29.1039 178.9136 46 Q 3.9546 7.8253 118.0100 59.1439 28.7722 179.0042 47 R 3.9456 8.1593 118.8808 59.1340 30.0954 178.9969 48 A 3.9890 8.2219 120.7699 55.0231 18.3046 179.3333 49 E 3.8919 8.1653 117.8636 59.3635 29.6813 179.0510 50 L 3.9191 8.0095 118.8874 57.6762 41.6673 179.2771 51 A 4.0613 8.2266 120.8153 55.1717 18.2295 179.8378 52 K 3.9095 8.1772 116.9426 59.7558 32.0848 178.9912 53 H 4.1327 8.3650 118.5106 59.6934 29.8347 176.9598 54 H 4.1843 8.2510 117.9527 58.9751 28.5549 177.8494 55 L 4.0876 8.0151 120.7447 57.8500 41.4091 179.2245 56 D 4.5529 8.4673 119.2079 57.4360 40.7769 179.0573 57 V 3.7275 8.0568 118.7863 65.9515 31.4606 178.0561 58 L 3.9079 8.0011 118.6982 57.5497 41.2581 179.3719 59 W 4.5893 8.3967 127.3360 60.6187 30.8149 177.7506 60 S 3.9969 8.7808 113.3070 60.2589 62.9140 175.1117 61 D 4.7140 8.3955 120.7153 56.1033 41.8558 177.3505 62 Y 3.4032 7.4948 118.2310 60.1123 39.0441 175.8120 63 F 3.9409 7.8123 118.2254 57.4625 39.4695 175.2685 64 K 4.5263 8.1561 123.9306 53.6264 35.0603 175.2509 65 P 4.4370 0.0000 0.0000 65.9010 31.0693 176.9934 66 P 4.2357 0.0000 0.0000 66.0122 31.1323 178.3391 67 H 4.3173 7.8957 114.9010 59.0010 28.3765 177.9407 68 F 4.3251 7.7190 117.9173 60.3329 38.8486 177.1593 69 E 4.2086 8.0791 117.8942 59.3748 29.3959 179.0589 70 S 4.2772 8.1545 114.4030 59.8325 64.2075 174.1154 71 Y 4.6525 7.9159 119.5386 54.6230 37.7114 174.0438 72 P 4.4014 0.0000 0.0000 64.7827 32.1271 177.1101 73 E 4.4667 8.1325 114.3095 56.2363 30.6670 177.5642 74 L 3.9052 8.4205 123.1145 58.7919 42.1172 178.1146 75 H 4.3719 8.4289 115.5584 59.6741 28.6670 177.6983 76 T 3.8380 7.9442 116.6344 66.2947 68.3066 176.3078 77 L 3.7875 8.0331 122.2990 58.2642 42.2063 179.3136 78 V 3.5551 7.8881 118.1546 65.8620 31.4419 177.4309 79 N 4.0371 7.9912 116.8161 56.7336 38.7603 176.7908 80 E 3.7744 8.3324 120.0890 58.8452 29.4470 179.2506 81 A 3.8352 7.4546 120.9518 55.3080 18.5071 180.1924 82 V 3.5981 7.7151 110.8955 64.3970 31.5446 179.0559 83 K 3.9859 8.0536 118.1887 59.2031 31.8249 179.2739 84 A 4.1056 8.0914 121.3418 55.0564 18.2760 179.7074 85 L 4.0264 7.8452 117.5054 57.9518 41.4280 179.8328 86 S 4.1195 8.1040 115.1030 61.5175 62.5157 176.5987 87 A 3.9977 7.8374 122.4711 54.9646 18.5131 179.2658 88 A 4.1756 7.9577 120.8179 54.4996 18.1598 179.9888 89 K 3.9370 7.7660 116.3232 59.4385 32.2085 178.4834 90 A 4.4401 7.3466 117.6398 51.3777 18.7427 176.7135 91 S 4.6479 7.2849 112.1902 57.5476 65.6124 173.9327 92 T 4.3599 8.3360 113.3388 61.2639 69.5690 173.7995 93 D 4.5302 8.3410 124.4382 53.2271 41.4210 175.0125 94 P 4.6465 0.0000 0.0000 64.8808 31.2517 178.3304 95 A 4.0188 8.7521 120.4976 55.2084 17.7214 179.7467 96 T 3.9970 8.2382 108.7735 64.8866 68.8971 177.2659 97 G 3.6057 8.0270 108.1783 47.5076 0.0000 175.3800 98 Q 3.9891 8.2434 122.0289 58.7018 29.1629 178.0800 99 K 3.7679 8.2201 120.6044 59.3516 32.2313 178.6163 100 A 4.1728 7.8879 120.5956 55.3172 18.3580 179.6089 101 L 4.0160 7.8780 117.4889 58.0089 41.5305 179.5382 102 D 4.3418 8.4202 119.2197 57.5810 40.7469 178.4466 103 Y 4.4850 7.7786 116.7653 61.2798 37.8414 178.6524 104 I 3.8216 8.1198 120.5597 64.2925 37.1406 178.3582 105 A 4.1431 8.1831 121.7805 55.2304 18.1252 179.7479 106 Q 4.0535 7.9754 116.5319 59.1047 28.7350 178.9070 107 I 3.8322 7.9269 121.0593 64.1766 37.1560 177.8544 108 D 4.3737 8.6413 119.4870 57.1785 41.1419 178.1727 109 K 4.0771 8.1659 120.0574 59.8352 32.2382 178.8077 110 I 3.5262 7.6120 119.6048 64.0658 36.9950 177.9500 111 F 4.0478 8.6524 121.9424 61.4653 39.2629 177.4244 112 W 4.1944 8.2773 118.0987 59.5640 28.9026 178.5066 113 E 4.1227 8.2424 118.7730 59.5723 28.7114 179.3410 114 T 4.0757 7.7450 108.7209 64.3542 68.9269 176.6242 115 K 4.0441 7.3770 120.6253 59.1404 32.1406 179.0181 116 K 4.1999 7.9888 117.5463 58.7168 32.1509 177.4907 117 A 4.3247 7.7876 124.6229 52.5259 18.4748 176.9330 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 H 8.43 4.73 0.00 3.19 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.00 4.23 0.00 3.17 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 3 D 8.44 4.62 0.00 2.89 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 4 L 8.08 4.09 0.00 1.62 1.77 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.29 2.09 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 6 C 8.48 4.31 0.00 3.01 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 7 G 8.21 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 8 V 7.09 4.19 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 0.71 0.00 0.00 0.85 0.00 0.00 9 Y 7.98 4.67 0.00 2.78 2.37 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 10 D 7.91 3.74 0.00 2.58 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 11 P 0.00 4.11 0.00 2.24 1.87 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.03 0.00 12 A 8.60 3.98 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 13 Q 7.94 3.81 0.00 1.87 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 14 A 7.78 4.06 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 15 R 8.18 3.84 0.00 1.90 2.10 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 16 I 8.15 3.71 1.87 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 1.53 1.01 0.92 0.00 0.00 17 E 8.03 4.01 0.00 2.17 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 2.57 2.55 0.00 18 A 8.23 4.08 1.41 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 0.00 0.00 0.00 19 E 8.48 3.98 0.00 2.20 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 2.62 0.00 20 S 7.92 4.12 0.00 4.09 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 21 V 7.72 3.56 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 1.00 0.00 0.00 1.01 0.00 0.00 22 K 8.04 4.12 0.00 1.90 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 A 8.23 4.02 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 24 I 8.14 3.74 2.01 0.00 0.00 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 1.52 0.76 0.89 0.00 0.00 25 Q 8.10 4.01 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 26 E 8.21 4.03 0.00 2.10 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 2.36 2.65 0.00 27 K 8.18 4.24 0.00 2.16 2.20 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.73 7.81 28 M 8.54 4.41 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.45 0.00 29 A 8.02 4.20 1.39 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 30 A 7.67 4.49 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 31 N 7.94 4.66 0.00 2.27 2.32 0.00 0.00 7.13 8.28 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 32 D 8.63 4.79 0.00 2.85 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 33 D 8.62 4.44 0.00 2.78 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 34 L 8.69 3.94 0.00 1.80 1.66 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.33 4.18 0.00 3.45 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.00 4.20 0.00 3.13 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 37 Q 8.53 3.93 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 38 I 7.84 3.64 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.88 0.00 0.00 39 R 7.99 3.81 0.00 1.83 1.90 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 40 A 8.04 3.71 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 41 T 7.83 3.72 4.33 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 1.18 0.00 0.00 42 V 7.87 3.54 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 1.01 0.00 0.00 0.93 0.00 0.00 43 I 7.90 4.01 1.86 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 1.36 1.33 0.89 0.00 0.00 44 K 8.36 3.92 0.00 1.81 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 E 8.18 3.90 0.00 2.28 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 2.29 2.38 0.00 46 Q 7.83 3.95 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 47 R 8.16 3.95 0.00 1.83 2.11 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 48 A 8.22 3.99 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 49 E 8.17 3.89 0.00 2.19 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 0.00 2.29 2.37 0.00 50 L 8.01 3.92 0.00 1.93 1.68 0.93 0.68 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 51 A 8.23 4.06 1.47 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 52 K 8.18 3.91 0.00 2.01 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.67 7.81 53 H 8.37 4.13 0.00 3.21 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.25 4.18 0.00 3.36 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.02 4.09 0.00 1.88 1.76 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.47 4.55 0.00 2.93 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 57 V 8.06 3.73 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 1.05 0.00 0.00 0.85 0.00 0.00 58 L 8.00 3.91 0.00 2.07 1.69 0.75 0.39 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 59 W 8.40 4.59 0.00 3.47 3.60 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 60 S 8.78 4.00 0.00 4.05 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 61 D 8.40 4.71 0.00 2.95 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 62 Y 7.49 3.40 0.00 1.43 2.41 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 0.00 63 F 7.81 3.94 0.00 2.92 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 0.00 0.00 0.00 64 K 8.16 4.53 0.00 1.42 1.55 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.15 7.81 65 P 0.00 4.44 0.00 2.15 2.17 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 66 P 0.00 4.24 0.00 1.97 2.04 0.00 3.36 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 67 H 7.90 4.32 0.00 2.95 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.72 4.33 0.00 3.18 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 69 E 8.08 4.21 0.00 2.13 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 2.38 2.55 0.00 70 S 8.15 4.28 0.00 3.83 3.48 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 71 Y 7.92 4.65 0.00 2.98 2.79 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 72 P 0.00 4.40 0.00 2.07 2.17 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 73 E 8.13 4.47 0.00 2.16 2.24 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 2.37 2.30 0.00 74 L 8.42 3.91 0.00 1.82 1.90 0.54 -0.26 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 75 H 8.43 4.37 0.00 3.25 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.94 3.84 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 1.18 0.00 0.00 77 L 8.03 3.79 0.00 1.87 1.89 1.04 0.77 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 78 V 7.89 3.56 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 0.96 0.00 0.00 1.17 0.00 0.00 79 N 7.99 4.04 0.00 2.69 2.75 0.00 0.00 7.23 7.08 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 80 E 8.33 3.77 0.00 1.35 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 2.17 2.45 0.00 81 A 7.45 3.84 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 82 V 7.72 3.60 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 0.82 0.00 0.00 0.84 0.00 0.00 83 K 8.05 3.99 0.00 1.93 1.81 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.46 7.81 84 A 8.09 4.11 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.03 0.00 1.92 1.73 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.10 4.12 0.00 4.05 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 87 A 7.84 4.00 1.39 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 88 A 7.96 4.18 1.39 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 89 K 7.77 3.94 0.00 1.98 2.01 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 A 7.35 4.44 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 91 S 7.28 4.65 0.00 3.82 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 92 T 8.34 4.36 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 1.21 0.00 0.00 93 D 8.34 4.53 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 P 0.00 4.65 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 95 A 8.75 4.02 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 96 T 8.24 4.00 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 1.22 0.00 0.00 97 G 8.03 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 3.99 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 99 K 8.22 3.77 0.00 1.95 1.97 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.30 7.81 100 A 7.89 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 4.02 0.00 1.91 1.74 0.93 1.13 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 0.00 102 D 8.42 4.34 0.00 2.58 2.56 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 0.00 0.00 0.00 0.00 103 Y 7.78 4.48 0.00 3.24 2.90 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 0.00 104 I 8.12 3.82 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 0.94 0.00 0.00 105 A 8.18 4.14 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 0.00 0.00 106 Q 7.98 4.05 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 107 I 7.93 3.83 2.09 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 1.46 0.89 1.07 0.00 0.00 108 D 8.64 4.37 0.00 2.94 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 0.00 109 K 8.17 4.08 0.00 1.98 2.05 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.58 7.81 110 I 7.61 3.53 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.43 -0.10 0.00 0.00 111 F 8.65 4.05 0.00 3.01 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 0.00 112 W 8.28 4.19 0.00 3.55 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 0.00 113 E 8.24 4.12 0.00 2.29 2.16 0.00 0.00 0.00 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 2.71 0.00 114 T 7.74 4.08 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 1.33 0.00 0.00 115 K 7.38 4.04 0.00 1.98 1.92 0.00 1.46 0.00 0.00 0.81 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.45 0.30 7.81 116 K 7.99 4.20 0.00 1.83 1.91 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.80 7.81 117 A 7.79 4.32 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