NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5183 8.3049 120.3145 54.8104 33.4188 174.9959 2 E 3.8062 8.5303 122.9951 56.3925 30.0287 176.5550 3 H 4.7955 8.1923 122.3848 53.8910 28.4510 173.7221 4 V 4.4508 7.4272 119.5684 59.8193 34.7923 175.0789 5 A 4.6025 8.3436 125.3451 50.3502 20.2586 176.4180 6 F 2.8748 8.4958 123.4499 59.6440 39.5471 175.6571 7 G 3.5377 7.5774 114.9758 45.2363 0.0000 173.4931 8 S 4.0497 7.3574 116.3314 58.4563 63.3572 175.2090 9 E 3.9388 8.8743 125.2278 58.8219 29.6902 177.2351 10 D 4.9882 7.6810 117.5596 53.7050 41.9084 177.9804 11 I 3.5738 7.5977 122.2650 64.1627 37.5365 176.9098 12 E 4.1166 8.0903 117.2090 59.1268 29.6619 178.5695 13 N 4.5306 8.1733 117.7697 56.5527 38.5561 177.4927 14 T 3.8770 7.7874 116.6218 66.4879 68.8049 175.9886 15 L 4.2944 8.0646 118.8624 55.7926 41.6320 178.6774 16 A 4.3193 7.6919 120.9052 54.1079 18.3736 178.6032 17 K 4.4191 7.4993 114.0975 56.3783 33.2319 176.2054 18 M 4.4468 7.4072 120.8628 53.8677 33.1066 176.4166 19 D 4.7329 8.4302 124.2561 52.6003 42.1103 176.6540 20 D 4.5283 8.7741 118.8647 57.7469 40.4576 179.4897 21 G 3.6262 8.0442 104.3184 47.9921 0.0000 175.3189 22 Q 4.1510 8.8328 120.8459 58.5194 28.7442 178.5299 23 L 3.9300 8.2156 120.2190 57.8556 41.4310 179.0552 24 D 4.6138 8.0395 117.6157 56.1799 40.9342 177.8058 25 G 3.8222 8.0614 105.8657 44.0383 0.0000 173.7757 26 L 4.0793 6.8971 120.7934 54.1902 42.0679 177.2411 27 A 4.1902 8.0227 123.0917 53.4849 18.7505 177.0968 28 F 5.1026 6.6361 109.5025 54.3505 41.7002 174.8688 29 G 4.1436 9.5423 107.1484 45.9976 0.0000 172.6975 30 A 5.4642 9.4996 125.2120 50.3358 22.8585 174.9420 31 I 4.9832 9.0223 123.6156 59.4920 40.8175 174.3142 32 Q 4.6097 8.8687 128.1781 54.1621 31.0967 174.1150 33 L 5.3708 8.7700 126.1870 52.8399 45.5997 176.5242 34 D 5.0261 8.9986 122.7088 52.3953 40.7181 177.3425 35 G 3.7749 8.7461 107.1717 48.0186 0.0000 174.1114 36 D 4.6882 8.4739 117.9923 54.7227 41.5868 177.2107 37 G 4.1227 8.8111 108.6469 45.0811 0.0000 173.1223 38 N 4.9023 8.8608 118.4125 52.8922 39.3695 174.2214 39 I 4.3309 8.5922 124.0098 61.2490 37.6453 176.4446 40 L 4.3909 9.1687 127.9367 56.3366 42.9619 177.2693 41 Q 4.7301 7.7351 115.3401 54.5990 33.7265 174.4294 42 F 5.0059 8.6951 123.9267 57.6910 42.0830 173.4191 43 N 5.0291 8.7077 124.7278 51.5859 39.6292 176.1850 44 A 4.0681 9.1024 120.2709 55.1985 18.2757 179.7454 45 A 3.9694 7.9215 118.9577 55.1134 18.4388 179.3223 46 E 3.9348 8.3776 117.5597 59.4611 29.7027 179.0851 47 G 3.9829 8.2168 105.7326 47.6724 0.0000 175.3509 48 D 4.4467 8.0274 120.3209 57.1719 40.8815 178.5913 49 I 4.0053 7.6990 120.0123 63.7591 37.3273 177.5480 50 T 4.6350 8.3354 107.2313 61.0277 69.9125 175.3539 51 G 4.0202 8.5680 110.5991 45.3749 0.0000 174.2213 52 R 4.0562 7.5420 118.1008 55.8576 30.9169 175.0566 53 D 4.9658 8.3147 120.5897 52.5904 42.2565 174.9474 54 P 4.0304 0.0000 0.0000 65.9685 31.2301 178.5694 55 K 4.1493 7.6404 113.2876 58.5191 32.0353 178.6886 56 Q 4.1680 7.9181 117.4943 57.2542 29.1179 177.3200 57 V 4.0569 7.2226 111.8607 60.6105 32.8220 175.8607 58 I 3.9342 6.9468 120.3448 62.7025 37.2385 176.3916 59 G 3.9576 9.2128 114.7369 45.1032 0.0000 173.8180 60 K 4.2706 7.9008 119.3228 55.3071 33.4643 175.1693 61 N 4.9456 9.2616 120.0640 52.4467 39.7839 175.9007 62 F 3.8336 9.0563 128.9262 61.0860 39.6401 177.0821 63 F 3.8764 7.6045 117.6102 59.3117 39.1802 176.6579 64 K 4.0278 8.4396 121.2437 58.1492 32.3735 176.3993 65 D 4.6497 7.8073 115.5335 55.9673 42.5847 177.9463 66 V 3.5809 7.4824 116.7741 65.0782 32.4391 176.2028 67 A 4.2915 7.3810 121.1312 49.7120 18.4359 174.9787 68 P 4.1446 0.0000 0.0000 64.7337 32.0327 179.0884 69 C 4.2584 7.6874 112.9094 60.2302 29.8965 174.0981 70 T 4.3198 7.7522 110.0053 61.1896 68.9011 174.1935 71 D 5.1792 7.7890 123.3890 52.9840 39.6670 174.8569 72 S 4.7491 7.9851 117.0755 56.1390 65.4385 174.8994 73 P 4.2043 0.0000 0.0000 65.7191 31.1952 178.6072 74 E 4.0992 7.8491 115.0625 57.9048 29.1586 175.9820 75 F 4.5028 7.3969 118.5388 58.3872 42.5362 175.4525 76 Y 4.1049 9.0433 120.5190 60.9058 38.8650 179.1196 77 G 3.6128 8.3301 107.9931 47.0960 0.0000 175.8097 78 K 3.9268 7.9360 120.3902 58.9640 32.0688 178.9331 79 F 4.1180 8.4994 121.2755 61.3412 39.3175 177.3927 80 K 3.7313 8.4956 118.7730 59.6960 32.3119 178.6737 81 E 3.8727 8.1078 120.7490 59.0606 29.4982 179.1216 82 G 3.7699 7.9412 105.8229 46.6281 0.0000 175.9317 83 V 3.2172 7.3649 121.0383 65.0054 31.5189 177.7009 84 A 4.0605 7.7303 119.5003 55.1858 18.3344 179.3303 85 S 4.3603 7.9872 111.8706 58.9285 63.1050 175.4339 86 G 3.9969 9.3798 109.5488 45.3296 0.0000 172.6664 87 N 5.0884 7.7081 114.7513 51.5520 40.8043 173.0859 88 L 4.7001 8.3709 121.9033 54.4046 45.9121 173.6648 89 N 5.2012 8.6691 123.7227 53.5838 40.4650 172.7461 90 T 4.8635 9.2174 120.4731 60.4314 71.5069 171.8949 91 M 5.4553 8.6543 127.0757 53.8981 35.2957 174.1386 92 F 5.0069 8.5914 118.8671 56.0291 41.6018 173.2615 93 E 4.8549 8.9535 120.0889 56.6782 30.9262 174.8656 94 Y 4.8076 8.7490 121.5114 57.2087 43.1805 173.1109 95 T 4.6691 7.8368 119.4098 61.7833 71.0845 173.6376 96 F 5.3173 9.1370 126.4116 56.3248 40.4317 176.3683 97 D 4.9490 8.8179 120.5533 53.1791 40.7541 174.0785 98 Y 4.5155 8.2568 121.2995 57.8705 39.0462 174.9915 99 Q 3.2876 8.4267 127.7975 56.1755 26.4673 173.1246 100 M 4.6134 7.5086 110.5811 54.2799 33.7787 174.3228 101 T 3.9459 8.4002 117.0837 63.0296 69.0617 172.6911 102 P 4.6672 0.0000 0.0000 63.5606 32.1688 175.8380 103 T 4.5962 9.0652 120.6064 61.5386 72.0613 173.0416 104 K 4.5938 8.6586 128.4750 56.1747 33.7441 175.9495 105 V 4.6878 8.8686 119.6449 59.5404 36.8504 173.8713 106 K 4.6687 8.8271 123.6118 54.8173 34.1086 174.9675 107 V 4.9979 8.6532 127.4646 61.3082 34.4451 173.6581 108 H 5.2495 9.4630 127.1346 54.8377 32.6434 171.6795 109 M 5.1470 9.2320 126.5134 53.7299 34.3638 175.3334 110 K 5.1299 8.9338 123.9430 54.5274 36.2444 175.1596 111 K 4.3853 8.9839 129.1161 56.5036 32.7388 176.4062 112 A 4.5271 8.2750 129.1150 51.5292 18.7844 177.5856 113 L 4.0499 8.7370 121.1912 57.8062 42.4910 178.0944 114 S 4.2374 7.9847 112.0011 58.2657 63.2651 174.6505 115 G 3.6389 8.5038 111.3506 48.4102 0.0000 173.6472 116 D 4.7279 7.5049 118.0327 52.3049 40.3505 174.2569 117 S 4.7674 7.0963 115.2476 56.8462 67.7174 173.9617 118 Y 4.8337 8.6870 117.8956 56.2171 42.0684 174.5483 119 W 4.6939 9.2932 124.5238 55.6028 31.3851 175.6455 120 V 4.5995 8.8158 123.9025 61.3738 33.2845 174.0983 121 F 5.7597 9.1220 127.6447 56.0601 41.6593 175.3368 122 V 5.3192 9.4083 121.9489 61.3291 35.1201 174.1927 123 K 4.9723 8.7664 125.3505 54.9664 36.3838 175.8182 124 R 4.3561 8.4890 119.8329 56.2755 31.0578 177.3484 125 V 3.9348 7.8437 114.5193 61.6595 32.3863 175.6985 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 4.52 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 2 E 8.53 3.81 0.00 1.89 1.78 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 2.25 2.52 0.00 3 H 8.19 4.80 0.00 3.14 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.43 4.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.95 0.00 0.00 5 A 8.34 4.60 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 6 F 8.50 2.87 0.00 2.46 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 7 G 7.58 3.54 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 0.00 8 S 7.36 4.05 0.00 3.80 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 9 E 8.87 3.94 0.00 1.87 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 2.28 2.39 0.00 10 D 7.68 4.99 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 11 I 7.60 3.57 1.74 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.02 0.81 0.00 0.00 12 E 8.09 4.12 0.00 2.38 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 2.34 2.43 0.00 13 N 8.17 4.53 0.00 3.01 2.91 0.00 0.00 6.88 6.33 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 14 T 7.79 3.88 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 1.17 0.00 0.00 15 L 8.06 4.29 0.00 1.57 1.38 0.76 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.69 4.32 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 17 K 7.50 4.42 0.00 1.99 1.95 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.47 7.81 18 M 7.41 4.45 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 19 D 8.43 4.73 0.00 2.97 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 20 D 8.77 4.53 0.00 2.77 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 21 G 8.04 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 22 Q 8.83 4.15 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.69 2.38 0.00 23 L 8.22 3.93 0.00 2.02 1.76 1.20 1.00 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 24 D 8.04 4.61 0.00 2.87 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 25 G 8.06 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 26 L 6.90 4.08 0.00 1.25 0.43 0.57 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.02 4.19 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 28 F 6.64 5.10 0.00 3.36 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.54 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 30 A 9.50 5.46 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 31 I 9.02 4.98 1.64 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 0.59 0.41 0.82 0.00 0.00 32 Q 8.87 4.61 0.00 1.14 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 33 L 8.77 5.37 0.00 1.80 1.61 0.28 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 D 9.00 5.03 0.00 2.97 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 35 G 8.75 3.77 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 36 D 8.47 4.69 0.00 2.92 2.84 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 37 G 8.81 4.12 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 0.00 0.00 0.00 38 N 8.86 4.90 0.00 3.08 2.75 0.00 0.00 7.00 6.80 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 39 I 8.59 4.33 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 1.03 0.00 0.00 40 L 9.17 4.39 0.00 1.46 1.65 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.74 4.73 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 42 F 8.70 5.01 0.00 3.03 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 43 N 8.71 5.03 0.00 3.02 2.98 0.00 0.00 6.45 7.22 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 44 A 9.10 4.07 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 45 A 7.92 3.97 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 46 E 8.38 3.93 0.00 1.90 1.46 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 1.47 2.05 0.00 47 G 8.22 3.98 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 0.00 0.00 0.00 48 D 8.03 4.45 0.00 2.89 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 49 I 7.70 4.01 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.70 1.06 0.00 0.00 50 T 8.34 4.64 4.37 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 1.52 0.00 0.00 51 G 8.57 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 0.00 0.00 0.00 52 R 7.54 4.06 0.00 2.15 1.61 0.00 3.18 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 53 D 8.31 4.97 0.00 2.68 2.48 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 54 P 0.00 4.03 0.00 2.27 2.62 0.00 3.70 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 55 K 7.64 4.15 0.00 1.75 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.62 7.81 56 Q 7.92 4.17 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 57 V 7.22 4.06 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 0.55 0.00 0.00 -0.05 0.00 0.00 58 I 6.95 3.93 1.85 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 1.28 0.57 0.97 0.00 0.00 59 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 60 K 7.90 4.27 0.00 1.86 1.66 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.39 7.81 61 N 9.26 4.95 0.00 2.73 2.70 0.00 0.00 7.19 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 62 F 9.06 3.83 0.00 2.67 2.14 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 63 F 7.60 3.88 0.00 2.49 2.14 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 64 K 8.44 4.03 0.00 1.64 1.74 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.35 7.81 65 D 7.81 4.65 0.00 2.69 2.58 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 66 V 7.48 3.58 1.78 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 0.65 0.00 0.00 0.81 0.00 0.00 67 A 7.38 4.29 -0.29 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 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.14 0.00 1.84 1.90 0.00 3.03 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 0.85 0.44 0.00 69 C 7.69 4.26 0.00 3.26 3.19 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 70 T 7.75 4.32 3.03 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 0.57 0.00 0.00 71 D 7.79 5.18 0.00 2.74 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 72 S 7.99 4.75 0.00 4.30 4.07 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 73 P 0.00 4.20 0.00 2.21 2.13 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 74 E 7.85 4.10 0.00 2.28 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 0.00 2.43 2.32 0.00 75 F 7.40 4.50 0.00 2.72 2.92 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 76 Y 9.04 4.10 0.00 2.91 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 77 G 8.33 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 78 K 7.94 3.93 0.00 1.94 1.84 0.00 1.00 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.40 1.32 7.81 79 F 8.50 4.12 0.00 3.39 3.30 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 80 K 8.50 3.73 0.00 1.83 1.84 0.00 1.08 0.00 0.00 1.37 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.85 1.42 7.81 81 E 8.11 3.87 0.00 2.04 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 2.23 2.41 0.00 82 G 7.94 3.77 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 83 V 7.36 3.22 1.72 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 1.02 0.00 0.00 -0.69 0.00 0.00 84 A 7.73 4.06 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 85 S 7.99 4.36 0.00 3.85 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 86 G 9.38 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 0.00 0.00 0.00 87 N 7.71 5.09 0.00 2.84 2.90 0.00 0.00 5.55 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 88 L 8.37 4.70 0.00 1.78 1.66 1.00 0.47 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 89 N 8.67 5.20 0.00 2.78 2.73 0.00 0.00 6.85 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 90 T 9.22 4.86 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 1.40 0.00 0.00 91 M 8.65 5.46 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 92 F 8.59 5.01 0.00 3.23 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 93 E 8.95 4.85 0.00 1.95 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 2.38 2.33 0.00 94 Y 8.75 4.81 0.00 3.25 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 95 T 7.84 4.67 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 1.29 0.00 0.00 96 F 9.14 5.32 0.00 3.09 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 97 D 8.82 4.95 0.00 2.77 2.76 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 98 Y 8.26 4.52 0.00 2.79 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 99 Q 8.43 3.29 0.00 1.70 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 1.16 1.49 0.00 100 M 7.51 4.61 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 101 T 8.40 3.95 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 0.00 102 P 0.00 4.67 0.00 1.96 2.05 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 103 T 9.07 4.60 4.38 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 1.26 0.00 0.00 104 K 8.66 4.59 0.00 1.82 1.64 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 105 V 8.87 4.69 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 0.49 0.00 0.00 0.27 0.00 0.00 106 K 8.83 4.67 0.00 1.63 1.30 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.35 7.81 107 V 8.65 5.00 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 0.00 0.00 0.66 0.00 0.00 0.89 0.00 0.00 108 H 9.46 5.25 0.00 2.78 2.81 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.23 5.15 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 110 K 8.93 5.13 0.00 1.72 1.76 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.66 7.81 111 K 8.98 4.39 0.00 1.95 1.74 0.00 2.00 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 0.92 7.81 112 A 8.27 4.53 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.74 4.05 0.00 1.68 1.78 1.00 0.95 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 0.00 114 S 7.98 4.24 0.00 3.97 3.83 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 0.00 115 G 8.50 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 0.00 116 D 7.50 4.73 0.00 2.61 2.57 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 0.00 117 S 7.10 4.77 0.00 3.71 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.69 4.83 0.00 3.15 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 0.00 119 W 9.29 4.69 0.00 2.91 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 0.00 120 V 8.82 4.60 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 1.20 0.00 0.00 0.89 0.00 0.00 121 F 9.12 5.76 0.00 2.93 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 0.00 122 V 9.41 5.32 2.52 0.00 0.00 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 1.32 0.00 0.00 123 K 8.77 4.97 0.00 1.60 1.51 0.00 1.00 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.88 7.81 124 R 8.49 4.36 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 125 V 7.84 3.93 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 0.57 0.00 0.00 0.91 0.00 0.00