NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1772 8.0249 121.4529 61.3671 37.7738 174.3064 2 Q 4.8165 8.5054 123.5165 53.5522 32.8440 173.6375 3 R 4.7334 9.4841 119.7055 54.8108 34.2434 174.6264 4 T 4.7998 8.9200 118.5394 59.8601 68.5939 172.3810 5 P 4.8655 0.0000 0.0000 62.8640 32.3203 176.1344 6 K 4.4322 9.4481 122.6445 56.4486 33.6725 176.0634 7 I 5.2078 8.2492 122.7889 59.8581 40.8570 174.6574 8 Q 4.8657 9.4147 125.4478 54.0593 32.4361 174.5001 9 V 5.1176 8.4937 123.1207 61.5005 34.1643 173.8421 10 Y 5.2745 8.4588 124.6710 56.8951 41.6989 172.8913 11 S 5.0665 8.9385 113.9805 56.4634 65.1870 174.3165 12 R 4.1241 8.8673 122.1929 59.2214 30.1732 176.4001 13 H 5.1525 8.3239 113.4981 52.4945 32.1307 171.6766 14 P 4.3826 0.0000 0.0000 62.9548 31.4113 176.1667 15 A 4.2100 8.6975 124.6675 52.2119 19.1319 176.5887 16 E 4.5305 8.5107 121.9549 53.9945 31.9664 174.5040 17 N 4.5663 8.8787 124.0060 55.2342 38.9276 175.7730 18 G 3.9176 9.2204 111.0960 45.3187 0.0000 173.1809 19 K 4.4367 7.7609 119.7713 54.1565 33.6480 176.3223 20 S 4.2371 8.3496 118.6787 59.1433 63.3386 172.4455 21 N 4.9108 8.4691 122.5266 53.2332 43.0299 172.2581 22 F 5.1248 8.8912 116.8310 55.5808 42.8711 174.0838 23 L 3.9695 8.8335 125.7678 53.4286 43.4666 174.7546 24 N 5.3882 8.7740 123.7351 51.4320 41.9389 172.9127 25 C 5.3229 9.3868 122.6847 55.1594 47.9417 171.9707 26 Y 5.4305 9.5659 129.5618 56.5341 40.0806 174.4550 27 V 5.0575 8.8121 121.2907 59.8635 34.3936 175.3387 28 S 4.9365 9.0420 118.3442 58.0555 66.8498 174.8937 29 G 4.3943 8.6130 106.8183 46.8293 0.0000 173.4358 30 F 5.1789 7.4352 114.4119 55.9171 40.9081 174.1972 31 H 5.3908 9.1199 118.9694 54.7941 33.7363 172.0211 32 P 4.8796 0.0000 0.0000 62.4365 32.4233 175.8392 33 S 4.0637 8.4206 112.8827 60.4302 63.3763 174.5414 34 D 4.4457 7.8694 121.2622 54.4381 41.0320 175.1560 35 I 4.5886 7.9366 122.3583 59.6897 41.4461 172.9664 36 E 4.5757 9.0310 129.3192 54.3299 31.9117 174.6925 37 V 4.6156 8.0013 126.0111 61.0573 34.3029 174.0530 38 D 4.9895 9.0496 127.3854 52.4410 44.6197 174.7484 39 L 5.0011 8.3510 121.5111 53.3232 44.1492 175.2872 40 L 5.2514 9.1446 123.2279 52.7462 45.2144 175.2846 41 K 4.2440 9.1092 124.5875 54.5969 34.3594 175.9129 42 N 4.1774 9.6543 128.0129 54.3920 36.4930 175.6761 43 G 3.9313 8.0514 103.4605 45.4917 0.0000 172.6439 44 E 4.5350 7.7062 121.0189 53.6970 31.3593 174.9793 45 R 4.3279 8.4273 125.5316 56.5478 30.5067 176.0487 46 I 4.0720 8.5760 127.5247 61.1465 37.8784 176.1038 47 E 4.1465 8.8088 124.7589 58.8905 29.7782 177.5701 48 K 4.2818 7.6852 118.9572 54.8206 30.7122 174.2170 49 V 4.4896 7.7196 120.2397 60.8778 34.3579 174.1226 50 E 4.6691 8.4269 126.9263 54.9704 32.6181 174.2942 51 H 5.2639 7.8066 115.0596 53.8392 31.5821 173.1845 52 S 4.5290 8.7190 115.1030 58.1188 64.0327 173.5098 53 D 4.5082 8.4677 120.3917 53.4725 41.2948 176.3271 54 L 4.0353 8.5303 125.3562 56.1635 42.6148 176.1034 55 S 4.7848 8.2768 120.8252 56.9179 67.8121 172.5207 56 F 5.2657 7.5287 114.3071 55.8358 40.9334 174.3315 57 S 4.7082 9.1671 117.0296 57.0944 64.0924 175.7102 58 K 3.5573 8.4384 120.5004 59.3250 31.6782 177.8277 59 D 4.4552 7.8380 116.0965 52.6944 39.4255 177.3497 60 W 3.5824 7.7430 119.0450 56.9220 28.1725 174.6602 61 S 4.3643 8.0350 114.0648 58.1380 64.1917 174.0123 62 F 5.0992 8.6368 121.3425 57.1416 40.5915 174.1550 63 Y 5.4817 8.3607 117.2818 56.0455 41.6001 173.9352 64 L 5.1388 9.6280 120.6501 53.3700 47.0918 174.6102 65 L 5.3709 9.2399 124.8995 53.9190 44.2415 174.5871 66 Y 5.1728 9.3324 124.9957 56.9750 40.3915 174.3920 67 Y 5.7768 8.3974 119.3990 57.4524 41.9800 173.2672 68 T 5.0269 8.2910 113.7827 60.6841 71.1279 172.5213 69 E 3.8506 8.6240 126.9364 56.4211 30.2542 176.1338 70 F 4.8253 9.0994 117.4807 55.9866 41.9544 173.5705 71 T 4.4710 8.1475 117.1562 60.7038 69.7701 172.1738 72 P 4.5626 0.0000 0.0000 62.9735 32.8694 175.8249 73 T 4.8547 8.3058 110.6874 59.7823 71.9472 173.0220 74 E 4.1220 8.9976 121.2174 58.7306 29.7219 177.7374 75 K 4.4200 7.8491 115.4355 57.4396 34.2231 176.5265 76 D 4.5321 7.9855 120.0395 54.5255 41.3767 175.1730 77 E 4.8647 9.2470 123.7174 54.9744 31.9503 174.7072 78 Y 5.3363 8.8527 120.3146 56.6077 42.1607 174.2444 79 A 5.0970 8.8211 122.2090 51.3235 23.7308 174.0898 80 C 5.3310 9.3735 119.4601 54.7504 44.9908 172.5635 81 R 5.0866 9.2631 126.5434 54.4990 32.4497 174.3591 82 V 4.7793 9.0488 126.2642 61.0240 34.5970 173.6358 83 N 5.3065 9.0650 125.9690 52.4347 42.4270 172.2865 84 H 4.8426 8.3990 121.5746 55.0681 32.9474 174.3124 85 V 3.5345 8.2373 122.6781 66.2449 31.3917 177.4085 86 T 4.1059 8.0083 108.3272 62.8629 69.0935 173.3579 87 L 4.7161 7.6258 123.5645 52.7768 43.2222 176.8501 88 S 4.3049 8.7450 118.9777 60.6428 63.4228 174.1248 89 Q 4.5832 7.5604 116.1021 53.1799 31.4585 172.3873 90 P 4.4737 0.0000 0.0000 63.2834 32.2774 175.4820 91 K 4.5068 9.2433 124.8471 55.0634 34.1280 174.9496 92 I 4.9445 8.3532 127.5742 59.4945 39.6041 174.8956 93 V 4.4229 8.7489 127.3007 60.8738 33.9115 174.7181 94 K 4.7468 8.7607 127.7033 55.6164 33.0694 176.6868 95 W 4.4934 9.3322 135.0000 57.5870 31.5222 174.7448 96 D 4.4253 8.5175 126.4173 51.9595 42.2095 176.2341 97 R 3.6620 7.6945 127.1935 58.3554 30.1150 176.3785 98 D 4.8975 8.3311 116.2335 54.5234 41.1379 176.2872 99 M 4.3906 8.0904 125.3250 55.6107 32.8657 175.1827 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 I 8.02 4.18 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 1.41 1.07 0.92 0.00 0.00 2 Q 8.51 4.82 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 3 R 9.48 4.73 0.00 1.86 2.05 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 4 T 8.92 4.80 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 1.25 0.00 0.00 5 P 0.00 4.87 0.00 2.01 1.72 0.00 3.76 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 6 K 9.45 4.43 0.00 1.86 1.83 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 7 I 8.25 5.21 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.96 0.00 0.00 8 Q 9.41 4.87 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 9 V 8.49 5.12 2.32 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 0.99 0.00 0.00 1.11 0.00 0.00 10 Y 8.46 5.27 0.00 3.18 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 11 S 8.94 5.07 0.00 4.30 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 12 R 8.87 4.12 0.00 1.85 2.19 0.00 3.11 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.00 13 H 8.32 5.15 0.00 3.27 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.38 0.00 2.24 2.15 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 15 A 8.70 4.21 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.51 4.53 0.00 1.97 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 0.00 2.26 2.32 0.00 17 N 8.88 4.57 0.00 2.77 2.79 0.00 0.00 7.24 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 18 G 9.22 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 19 K 7.76 4.44 0.00 1.79 1.70 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.64 7.81 20 S 8.35 4.24 0.00 3.79 3.70 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 0.00 0.00 0.00 0.00 21 N 8.47 4.91 0.00 2.73 2.42 0.00 0.00 7.02 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 22 F 8.89 5.12 0.00 2.94 2.89 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 23 L 8.83 3.97 0.00 0.27 0.85 -0.21 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.77 5.39 0.00 1.44 2.00 0.00 0.00 5.98 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 25 C 9.39 5.32 0.00 2.91 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 26 Y 9.57 5.43 0.00 3.41 3.22 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 0.00 0.00 0.00 27 V 8.81 5.06 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 0.62 0.00 0.00 1.09 0.00 0.00 28 S 9.04 4.94 0.00 3.84 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 29 G 8.61 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 30 F 7.44 5.18 0.00 3.05 3.17 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 0.00 0.00 0.00 0.00 31 H 9.12 5.39 0.00 3.28 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.88 0.00 2.14 2.17 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 33 S 8.42 4.06 0.00 3.27 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 34 D 7.87 4.45 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.94 4.59 1.47 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.51 0.81 0.00 0.00 36 E 9.03 4.58 0.00 1.97 1.67 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 2.09 2.14 0.00 37 V 8.00 4.62 0.67 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 0.28 0.00 0.00 0.42 0.00 0.00 38 D 9.05 4.99 0.00 2.49 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 39 L 8.35 5.00 0.00 1.57 1.54 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.14 5.25 0.00 1.52 1.51 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.11 4.24 0.00 1.80 1.61 0.00 1.95 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 0.81 7.81 42 N 9.65 4.18 0.00 2.72 2.76 0.00 0.00 7.12 7.58 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 43 G 8.05 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 44 E 7.71 4.54 0.00 2.02 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 2.21 2.25 0.00 45 R 8.43 4.33 0.00 1.79 1.83 0.00 3.27 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 46 I 8.58 4.07 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.93 0.00 0.00 47 E 8.81 4.15 0.00 1.96 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 2.30 2.33 0.00 48 K 7.69 4.28 0.00 1.71 1.77 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.48 7.81 49 V 7.72 4.49 2.10 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 0.89 0.00 0.00 0.96 0.00 0.00 50 E 8.43 4.67 0.00 1.16 1.45 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 2.10 2.04 0.00 51 H 7.81 5.26 0.00 2.20 1.85 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.72 4.53 0.00 3.98 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 53 D 8.47 4.51 0.00 2.69 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 54 L 8.53 4.04 0.00 1.63 1.62 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.28 4.78 0.00 2.72 3.22 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 0.00 0.00 0.00 56 F 7.53 5.27 0.00 2.77 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 57 S 9.17 4.71 0.00 4.08 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 58 K 8.44 3.56 0.00 1.62 1.70 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.34 7.81 59 D 7.84 4.46 0.00 2.76 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 60 W 7.74 3.58 0.00 3.28 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 61 S 8.04 4.36 0.00 3.97 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 62 F 8.64 5.10 0.00 1.63 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 0.00 0.00 0.00 0.00 63 Y 8.36 5.48 0.00 3.04 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 64 L 9.63 5.14 0.00 1.91 1.65 1.22 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.24 5.37 0.00 2.07 1.72 1.09 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.33 5.17 0.00 3.12 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 67 Y 8.40 5.78 0.00 3.09 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 68 T 8.29 5.03 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 1.08 0.00 0.00 69 E 8.62 3.85 0.00 1.68 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 1.47 2.19 0.00 70 F 9.10 4.83 0.00 2.73 2.61 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 71 T 8.15 4.47 4.16 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 0.00 0.00 1.15 0.00 0.00 72 P 0.00 4.56 0.00 2.26 1.96 0.00 3.28 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 2.02 1.55 0.00 73 T 8.31 4.85 4.29 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 1.29 0.00 0.00 74 E 9.00 4.12 0.00 1.98 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 2.31 2.31 0.00 75 K 7.85 4.42 0.00 1.90 1.92 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.46 7.81 76 D 7.99 4.53 0.00 2.92 2.54 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 77 E 9.25 4.86 0.00 1.98 1.86 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 2.29 2.44 0.00 78 Y 8.85 5.34 0.00 3.18 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 79 A 8.82 5.10 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 80 C 9.37 5.33 0.00 2.96 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 81 R 9.26 5.09 0.00 1.82 1.68 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 82 V 9.05 4.78 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 0.70 0.00 0.00 0.81 0.00 0.00 83 N 9.06 5.31 0.00 2.73 2.53 0.00 0.00 6.29 7.91 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 84 H 8.40 4.84 0.00 3.07 3.03 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.24 3.53 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 0.85 0.00 0.00 0.79 0.00 0.00 86 T 8.01 4.11 4.32 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 1.34 0.00 0.00 87 L 7.63 4.72 0.00 1.92 1.82 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.74 4.30 0.00 3.97 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 89 Q 7.56 4.58 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 90 P 0.00 4.47 0.00 1.93 2.00 0.00 3.64 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 2.01 2.07 0.00 91 K 9.24 4.51 0.00 1.77 1.64 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.41 7.81 92 I 8.35 4.94 1.88 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 1.22 0.77 0.93 0.00 0.00 93 V 8.75 4.42 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 1.14 0.00 0.00 0.96 0.00 0.00 94 K 8.76 4.75 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.48 7.81 95 W 9.33 4.49 0.00 3.25 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 96 D 8.52 4.43 0.00 2.60 2.43 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 97 R 7.69 3.66 0.00 1.17 1.20 0.00 3.16 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 98 D 8.33 4.90 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 M 8.09 4.39 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00