NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Y 4.9876 8.1293 118.3579 58.0828 39.2722 173.4752 16 S 4.4343 8.2568 116.3836 56.5188 64.5530 171.9341 17 N 4.8741 8.8992 117.3738 53.0645 39.0847 176.2041 18 A 4.8325 7.7136 121.8388 52.2116 19.5928 176.9661 19 I 4.8758 9.0053 112.5276 59.3351 42.1503 174.2810 20 V 4.8991 8.6246 122.4461 61.3340 34.4038 174.2106 21 V 4.7874 9.1153 129.2165 61.5794 33.3182 174.6513 22 L 5.0738 8.9855 128.8481 54.5296 43.2044 175.4245 23 C 5.6182 9.1872 121.7699 58.9366 35.4850 172.5170 24 T 5.3526 8.6559 112.7159 59.9551 71.6807 172.6944 25 A 4.6057 8.8233 123.5669 49.3221 22.3866 175.6961 26 P 4.5165 0.0000 0.0000 65.5275 31.9917 176.3392 27 D 4.6168 7.3773 117.1850 51.2188 43.5615 176.0551 28 E 3.9314 8.6646 118.8429 59.2496 29.3765 179.2551 29 A 3.9753 7.9925 120.6370 55.4232 18.4545 179.7467 30 S 4.0454 8.8056 112.6942 61.3829 62.9572 176.4641 31 A 3.9333 7.8951 124.1741 54.9804 18.1128 179.6220 32 Q 3.8981 8.4035 116.9334 59.1186 28.8226 178.7015 33 N 4.3054 8.1692 117.4122 56.3168 38.5472 177.1752 34 L 4.0495 8.1599 121.4506 58.0478 42.1367 178.7510 35 A 4.0359 8.3343 120.6819 55.2456 18.3218 179.3572 36 A 3.9383 8.4143 119.6036 55.4335 18.4374 179.9207 37 Q 3.9086 8.2074 116.3789 59.1411 28.8931 178.9891 38 V 3.2080 8.0227 119.4019 66.0757 31.5137 178.0991 39 L 4.0767 8.2426 118.8345 57.7050 41.2356 179.7252 40 G 3.5945 8.0119 104.8619 47.5751 0.0000 174.8292 41 E 4.0750 7.9488 117.8696 55.5113 30.3109 176.5312 42 K 3.7729 7.8885 118.3916 57.6813 30.0886 176.3319 43 L 4.4644 7.8055 116.2940 54.7381 42.7426 176.8037 44 A 4.6176 7.3908 119.6404 50.7364 22.1169 175.6313 45 A 4.1340 8.7236 122.2710 53.9036 19.9562 177.8196 46 C 4.8368 7.8840 114.0476 58.0778 35.5084 173.0698 47 V 4.6205 8.4117 124.7130 61.3734 33.6514 174.3512 48 T 4.5721 8.7752 125.0723 61.7943 70.8165 173.2634 49 L 4.8709 8.4407 126.0656 53.2465 43.8600 176.6488 50 L 4.7176 8.8859 124.5826 52.1531 42.5900 174.4382 51 P 4.6211 0.0000 0.0000 62.2518 33.0279 176.4429 52 G 3.7815 8.6652 104.7643 46.2585 0.0000 173.6564 53 A 4.5047 7.8197 121.6678 51.6221 20.2143 177.3469 54 T 5.0759 8.4030 114.9237 61.9465 71.6727 173.8825 55 S 4.9359 9.3914 122.4822 56.6881 65.9317 173.0427 56 L 5.5240 8.4050 123.4443 52.4562 44.1079 175.2288 57 Y 4.6859 7.1999 117.7309 56.6812 40.7181 172.2048 58 Y 4.7740 8.9685 118.6956 57.1761 39.7025 175.2605 59 W 4.9808 9.2260 133.4158 56.7308 33.2379 174.6844 60 E 3.7224 9.1430 126.7903 57.5406 26.2010 175.8780 61 G 4.0130 8.5603 105.4134 45.2833 0.0000 173.8562 62 K 4.7611 7.8137 118.9279 54.2118 35.4415 175.2845 63 L 3.7522 8.3272 126.1219 54.5754 42.4487 175.6348 64 E 4.4685 8.4529 126.6522 54.6273 32.5036 175.4038 65 Q 4.3732 8.1487 122.3911 54.6683 31.6130 173.8070 66 E 4.7047 9.0937 125.7971 54.4160 34.1161 175.0715 67 Y 4.9389 8.3563 119.6686 58.4982 39.0092 174.7157 68 E 4.9517 9.5083 121.6931 55.3600 35.3013 173.8303 69 V 4.6803 8.9333 121.4199 61.4366 33.7939 174.1392 70 Q 4.7093 8.8960 129.6037 55.0986 30.6251 174.1687 71 L 5.1976 9.4949 126.9297 52.9472 45.1581 175.5445 72 L 4.9398 8.7390 122.1431 53.2022 44.8717 175.4892 73 F 4.9383 9.5208 124.5048 56.0433 40.8940 175.3298 74 K 4.9594 9.2257 124.9227 55.5170 33.5914 175.3258 75 S 4.3116 8.7751 121.8643 57.4335 66.0423 172.0420 76 N 5.5295 8.6228 114.3001 50.9855 40.7435 175.0280 77 T 3.9334 9.2585 109.7688 64.8874 68.7577 176.3922 78 D 4.3907 7.7494 120.3166 56.6452 41.1153 176.7267 79 H 4.7846 8.1993 114.7139 55.3490 29.8145 175.5687 80 Q 3.9283 7.9880 122.1220 59.4527 28.7561 178.2731 81 Q 3.9287 8.0159 119.7319 59.1468 29.1878 177.7525 82 A 3.9916 7.9537 121.3577 54.9496 18.3492 179.2448 83 L 3.8350 8.0039 118.7646 58.2991 42.2573 179.1434 84 L 3.9076 7.9395 118.8817 58.1191 41.6906 179.7085 85 T 3.8628 8.1693 115.8071 66.6845 68.1781 176.0182 86 Y 3.9165 7.9342 120.0846 60.7776 39.1766 177.7421 87 I 3.8988 8.0169 120.8462 64.4739 37.0232 178.0813 88 K 3.8276 7.8292 118.8075 59.6859 32.0477 178.0202 89 Q 4.2078 7.6931 114.9468 56.7012 29.3426 175.4828 90 H 4.8755 8.0307 117.4196 55.7841 29.8200 172.7737 91 H 4.8889 7.9510 116.9706 53.4376 32.8543 171.3215 92 P 4.3307 0.0000 0.0000 65.4436 31.4383 176.7862 93 Y 4.7377 7.7289 114.2301 57.1719 38.9265 175.3620 94 Q 4.1874 8.7407 123.8032 58.7447 29.7652 176.4765 95 T 4.6509 7.4322 113.1007 60.8362 68.6742 171.5198 96 P 4.4854 0.0000 0.0000 61.8586 32.9140 176.7917 97 E 4.0513 8.5795 121.3533 56.6522 30.7649 175.8347 98 L 4.7248 8.4202 126.8920 53.7734 44.7321 174.7766 99 L 4.7278 8.7638 123.9939 52.7047 45.2733 175.9916 100 V 4.3529 8.5373 124.5474 61.8386 32.6170 174.8649 101 L 4.7284 9.0195 129.3956 52.7591 43.1948 174.7648 102 P 4.7830 0.0000 0.0000 62.7101 32.8593 175.7081 103 V 4.1179 8.0744 121.1076 61.2361 33.1612 176.1924 104 R 3.7177 8.5518 128.7631 59.0929 30.1717 175.0498 105 D 4.4926 7.1569 113.2504 54.0855 43.8803 173.0450 106 G 4.0212 7.9048 108.4562 43.5654 0.0000 173.0877 107 D 4.4563 8.1772 118.6965 53.6886 42.5860 176.2924 108 K 3.9159 8.7906 127.7063 60.0379 32.3018 178.5887 109 D 4.4109 8.2391 118.4813 57.4998 40.7361 178.1081 110 Y 4.1361 8.4103 120.0437 60.7726 38.8554 177.8170 111 L 4.0322 8.4139 120.2635 57.7753 41.6302 179.5247 112 S 4.0688 8.3444 113.2332 61.0333 62.4980 176.0171 113 W 4.0321 8.1812 131.0884 60.2382 30.2277 177.5184 114 L 3.1320 7.8297 119.3430 58.1261 41.6474 178.4059 115 N 4.3217 8.3541 116.4044 56.2883 38.2783 177.3417 116 A 3.9652 7.7953 120.7711 54.7320 18.4800 179.3259 117 S 3.9588 7.1853 112.1200 59.5064 63.1882 174.7369 118 L 4.2244 6.4996 121.2510 53.1616 42.4176 176.6027 119 L 4.0544 7.9995 121.9998 55.8356 41.8966 176.9958 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 15 Y 8.13 4.99 0.00 3.02 3.07 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 16 S 8.26 4.43 0.00 4.03 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 17 N 8.90 4.87 0.00 2.89 3.11 0.00 0.00 5.86 7.46 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 18 A 7.71 4.83 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 19 I 9.01 4.88 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.95 0.00 0.00 20 V 8.62 4.90 2.12 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 0.92 0.00 0.00 0.99 0.00 0.00 21 V 9.12 4.79 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 0.93 0.00 0.00 0.95 0.00 0.00 22 L 8.99 5.07 0.00 1.68 1.78 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.19 5.62 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 24 T 8.66 5.35 4.40 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 1.37 0.00 0.00 25 A 8.82 4.61 1.10 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 0.00 0.00 26 P 0.00 4.52 0.00 2.21 2.31 0.00 3.38 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 27 D 7.38 4.62 0.00 2.74 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 28 E 8.66 3.93 0.00 2.01 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 2.38 2.35 0.00 29 A 7.99 3.98 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 30 S 8.81 4.05 0.00 3.91 4.06 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 31 A 7.90 3.93 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 32 Q 8.40 3.90 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 33 N 8.17 4.31 0.00 2.89 2.88 0.00 0.00 6.70 6.02 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 34 L 8.16 4.05 0.00 1.79 1.95 1.13 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.33 4.04 1.33 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 0.00 0.00 0.00 36 A 8.41 3.94 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 37 Q 8.21 3.91 0.00 2.44 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 38 V 8.02 3.21 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 1.14 0.00 0.00 1.07 0.00 0.00 39 L 8.24 4.08 0.00 1.85 1.68 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.01 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.08 0.00 1.66 1.71 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 2.19 1.54 0.00 42 K 7.89 3.77 0.00 1.88 1.81 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.47 7.81 43 L 7.81 4.46 0.00 1.47 1.61 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.39 4.62 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 45 A 8.72 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.88 4.84 0.00 3.38 2.96 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 47 V 8.41 4.62 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.83 0.00 0.00 48 T 8.78 4.57 4.20 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 1.18 0.00 0.00 49 L 8.44 4.87 0.00 1.44 1.54 0.78 0.94 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 50 L 8.89 4.72 0.00 1.59 1.57 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.62 0.00 2.05 2.05 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 52 G 8.67 3.78 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 0.00 0.00 0.00 53 A 7.82 4.50 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 54 T 8.40 5.08 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 1.12 0.00 0.00 55 S 9.39 4.94 0.00 3.88 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 56 L 8.40 5.52 0.00 1.45 1.43 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.20 4.69 0.00 3.16 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 58 Y 8.97 4.77 0.00 2.97 2.99 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 0.00 0.00 0.00 59 W 9.23 4.98 0.00 3.64 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 0.00 60 E 9.14 3.72 0.00 2.11 1.92 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 1.84 1.47 0.00 61 G 8.56 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 62 K 7.81 4.76 0.00 1.85 1.68 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.52 7.81 63 L 8.33 3.75 0.00 0.73 1.27 0.34 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.45 4.47 0.00 1.16 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 2.24 2.31 0.00 65 Q 8.15 4.37 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 66 E 9.09 4.70 0.00 1.98 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 0.00 2.15 2.47 0.00 67 Y 8.36 4.94 0.00 2.95 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 68 E 9.51 4.95 0.00 1.93 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 2.38 2.37 0.00 69 V 8.93 4.68 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 0.99 0.00 0.00 0.97 0.00 0.00 70 Q 8.90 4.71 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 71 L 9.49 5.20 0.00 1.80 1.24 1.05 -0.21 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 72 L 8.74 4.94 0.00 1.50 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.52 4.94 0.00 2.92 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 74 K 9.23 4.96 0.00 1.94 1.94 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 75 S 8.78 4.31 0.00 3.91 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 76 N 8.62 5.53 0.00 3.12 2.85 0.00 0.00 5.73 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 77 T 9.26 3.93 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 1.27 0.00 0.00 78 D 7.75 4.39 0.00 3.02 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 79 H 8.20 4.78 0.00 3.20 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.99 3.93 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 81 Q 8.02 3.93 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 82 A 7.95 3.99 1.33 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 0.00 0.00 0.00 83 L 8.00 3.84 0.00 1.81 1.84 0.70 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.94 3.91 0.00 1.77 1.69 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.17 3.86 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 1.22 0.00 0.00 86 Y 7.93 3.92 0.00 3.07 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 87 I 8.02 3.90 1.78 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 0.91 0.00 0.00 88 K 7.83 3.83 0.00 1.83 2.02 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.52 7.81 89 Q 7.69 4.21 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.19 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 90 H 8.03 4.88 0.00 2.87 3.30 0.00 5.79 0.00 0.00 0.00 0.00 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.95 4.89 0.00 3.30 3.23 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.33 0.00 1.71 1.97 0.00 2.97 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 93 Y 7.73 4.74 0.00 2.88 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.74 4.19 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.29 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 95 T 7.43 4.65 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 1.28 0.00 0.00 96 P 0.00 4.49 0.00 1.99 1.48 0.00 3.83 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 1.93 1.85 0.00 97 E 8.58 4.05 0.00 2.06 1.91 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 2.57 2.37 0.00 98 L 8.42 4.72 0.00 1.51 1.54 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.76 4.73 0.00 1.62 1.55 0.95 0.65 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 0.00 100 V 8.54 4.35 2.11 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 0.86 0.00 0.00 0.94 0.00 0.00 101 L 9.02 4.73 0.00 1.68 1.56 0.94 0.85 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 0.00 102 P 0.00 4.78 0.00 2.00 2.20 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 103 V 8.07 4.12 2.20 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 1.00 0.00 0.00 0.95 0.00 0.00 104 R 8.55 3.72 0.00 1.49 1.85 0.00 3.31 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 105 D 7.16 4.49 0.00 2.65 2.53 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 0.00 106 G 7.90 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 0.00 107 D 8.18 4.46 0.00 2.83 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 0.00 108 K 8.79 3.92 0.00 1.90 1.84 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.58 7.81 109 D 8.24 4.41 0.00 2.99 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 0.00 110 Y 8.41 4.14 0.00 3.14 3.18 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 0.00 111 L 8.41 4.03 0.00 1.91 1.74 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.34 4.07 0.00 3.97 4.11 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 0.00 113 W 8.18 4.03 0.00 3.39 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 0.00 114 L 7.83 3.13 0.00 1.29 1.69 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.35 4.32 0.00 2.66 2.79 0.00 0.00 6.99 6.73 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 0.00 116 A 7.80 3.97 1.25 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 0.00 0.00 117 S 7.19 3.96 0.00 3.33 3.43 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 0.00 118 L 6.50 4.22 0.00 1.32 0.90 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.00 4.05 0.00 1.70 1.65 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00