NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 4.7309 8.4449 117.8160 56.1637 30.0005 173.0209 -2 H 4.4340 8.6665 117.8728 56.4422 29.3532 173.6272 -1 H 5.0757 7.6159 115.2324 53.6801 33.5626 172.0099 0 H 4.6065 8.9239 117.1973 56.0168 28.8808 174.4441 1 F 4.9357 8.3795 118.7193 57.8841 40.0111 173.7947 2 N 4.5579 8.5508 117.1476 52.4536 38.8911 174.2943 3 L 4.7224 8.0542 123.3419 51.9966 43.9447 174.6787 4 P 4.5240 0.0000 0.0000 61.9415 32.1237 174.5175 5 P 4.4229 0.0000 0.0000 63.5455 32.0771 176.8477 6 G 3.7859 7.5747 107.8782 45.4818 0.0000 171.1047 7 N 4.3516 7.9804 115.5579 52.3549 40.0107 173.4702 8 Y 4.8574 7.9355 112.6330 57.8735 38.3657 177.4326 9 K 4.2059 8.8023 122.8163 58.3808 32.3195 177.4894 10 K 4.7088 7.6063 116.0370 53.2602 35.2658 173.7278 11 P 4.7419 0.0000 0.0000 63.2077 32.3024 175.1143 12 K 4.8960 9.2916 118.6952 54.9580 37.2628 175.2980 13 L 4.8908 8.9886 122.1153 53.7615 43.9225 176.1663 14 L 5.1585 8.6331 123.2834 53.6283 43.3053 174.3893 15 Y 4.9259 9.2355 126.8667 56.5677 40.5890 173.5741 16 C 4.1216 8.7998 128.0738 56.5914 32.4319 174.4860 17 S 3.9074 8.4276 121.6580 61.2758 62.4541 174.9741 18 N 4.1039 7.6564 118.6846 55.8169 38.7107 175.2897 19 G 3.8537 7.7089 104.7533 44.5279 0.0000 172.9050 20 G 3.4107 7.6263 107.3219 44.8482 0.0000 173.3586 21 H 4.9266 7.4049 114.7192 53.6243 32.2918 174.2905 22 F 5.2851 8.9288 120.5294 56.2575 40.3199 175.2310 23 L 4.6282 9.0061 126.0352 55.3697 43.3003 175.6179 24 R 4.9575 9.2514 126.1021 54.6144 33.6399 173.8246 25 I 4.7830 8.2983 126.7915 59.5033 38.9329 175.6754 26 L 4.1527 8.8604 128.1273 53.2027 42.4434 176.7522 27 P 4.1546 0.0000 0.0000 65.8089 31.2679 177.2468 28 D 4.5590 7.9786 114.6206 53.4688 39.6227 177.0726 29 G 4.2169 8.5104 109.8960 45.3249 0.0000 174.1183 30 T 4.2071 8.2672 117.4299 63.4873 69.0377 173.4190 31 V 4.8786 8.0579 124.3033 61.1894 34.3961 174.3590 32 D 4.6092 8.6031 125.1680 52.9051 42.4642 174.0273 33 G 4.5850 8.6717 104.8887 45.3239 0.0000 172.5233 34 T 4.9858 8.7925 114.6968 60.4515 71.1216 174.5888 35 R 4.2425 8.8335 124.4177 56.4270 30.9124 176.2818 36 D 4.6235 8.2854 119.7362 53.1999 40.2631 176.6778 37 R 3.8257 8.6153 127.6635 58.0877 30.2942 177.0285 38 S 4.4309 8.3512 111.0790 58.7437 63.5870 174.0282 39 D 4.4086 7.7121 121.7841 54.8389 41.3174 175.9131 40 Q 4.2960 8.4803 123.2377 56.9367 29.3955 175.9482 41 H 4.8669 9.0550 115.7762 55.4984 29.1514 175.3314 42 I 4.5038 7.0153 111.3652 60.0789 38.3755 175.4292 43 Q 4.3106 7.7946 122.0377 55.4495 29.9065 174.6438 44 L 5.1698 8.9499 124.4200 52.7818 45.6930 175.3219 45 Q 4.8276 9.2245 124.5688 54.4637 30.8610 174.4896 46 L 5.4518 8.8412 126.4227 53.3530 43.7406 176.2074 47 S 4.3442 8.0893 114.3250 56.8278 66.6724 172.4152 48 A 4.6914 7.9361 124.0037 51.1153 19.2051 177.0024 49 E 4.0319 8.7095 123.1410 58.3846 30.2288 176.7937 50 S 4.6967 7.3952 112.2457 56.0033 67.2232 173.1994 51 V 3.7528 8.3445 121.4289 64.7606 31.4771 176.2431 52 G 3.9193 9.2030 114.6455 45.3263 0.0000 171.4346 53 E 5.1387 8.4007 121.5670 54.3273 32.1609 175.2146 54 V 5.4826 8.9657 119.3616 58.7959 36.4070 174.2774 55 Y 5.3226 8.2880 119.6506 57.1288 40.6280 174.9081 56 I 4.4783 8.5398 122.2398 59.6974 40.3869 174.3766 57 K 4.7403 8.6083 127.0170 53.9554 35.4126 175.9153 58 S 4.5481 8.9360 120.5625 58.6419 62.6337 175.0279 59 T 3.8398 8.6308 118.5996 64.6475 68.7849 175.9177 60 E 4.0618 8.4091 122.5061 58.3305 29.8618 177.0551 61 T 4.3668 8.0365 106.2484 60.6649 70.4124 175.2987 62 G 3.8668 8.2703 110.0632 45.1086 0.0000 173.7462 63 Q 4.4324 7.6425 118.8079 56.1438 30.2596 174.6891 64 Y 4.6472 8.9630 120.5318 56.1758 40.1226 175.0915 65 L 4.4719 8.9637 126.5064 55.4561 43.3971 175.5910 66 A 5.1271 8.6692 126.0027 50.7389 23.2116 174.3497 67 M 5.3270 8.6949 119.8236 53.8494 34.6433 175.7947 68 D 5.2729 9.4002 126.7308 52.6807 41.1601 176.8196 69 T 4.1333 8.5151 112.5455 64.4865 67.3762 174.2841 70 D 4.7651 8.5210 119.1841 54.1791 41.2762 176.8947 71 G 3.2722 8.5405 107.8677 45.1818 0.0000 172.8869 72 L 4.7958 8.2138 120.1906 53.1524 43.3355 176.3305 73 L 5.0042 8.5485 123.5783 55.2281 42.6571 175.6675 74 Y 5.0039 8.9184 119.8232 55.9182 42.1383 173.5549 75 G 4.2552 8.8504 108.4313 45.2070 0.0000 173.1509 76 S 5.0729 8.9498 121.1765 56.8032 63.8895 175.3260 77 Q 4.2639 9.0249 125.7050 58.1493 28.9790 176.3636 78 T 4.6225 7.4446 106.2009 58.4985 71.8215 171.6219 79 P 3.5567 0.0000 0.0000 62.3332 32.0874 175.1736 80 N 4.9917 8.0147 118.0045 51.0504 40.4593 174.5835 81 E 3.9909 8.6848 115.1346 59.2236 29.8137 177.7309 82 E 4.1453 8.7544 118.4498 57.8043 29.7338 177.5401 83 C 4.9632 7.9067 115.0369 59.2510 29.1342 173.3942 84 L 4.7080 7.4413 120.9918 53.6831 43.0356 175.6087 85 F 5.2351 8.9937 121.5886 55.5692 43.2876 174.4027 86 L 4.9059 9.2023 123.4370 54.0175 42.5427 175.4585 87 E 4.6408 8.8930 126.7819 55.1590 30.2985 175.6646 88 R 4.8168 8.5796 125.3087 53.9456 34.8268 174.6445 89 L 4.6843 8.5928 123.9913 55.3856 43.0132 175.8997 90 E 4.6974 9.1219 125.1577 55.2488 32.6213 174.8631 91 E 4.0028 9.7707 123.3263 57.5442 27.3367 174.8859 92 N 4.4993 8.6563 111.1200 54.2248 36.3474 173.7766 93 H 4.8004 7.7695 117.7382 57.4884 37.7143 173.5929 94 Y 4.6393 8.1458 116.8220 57.3538 40.0198 173.8310 95 N 5.4920 9.4223 118.5917 52.1464 40.9040 174.7298 96 T 5.2539 8.7730 112.6705 60.1637 72.9124 172.6949 97 Y 5.0722 8.6085 118.8691 56.6613 41.6868 174.1931 98 I 4.5455 8.5541 126.0686 59.2715 39.4265 175.5506 99 S 4.0517 8.9282 122.4430 58.5842 62.4244 174.0491 100 K 3.9995 8.7853 129.2440 59.3671 32.3277 178.6370 101 K 3.8246 7.9797 117.9108 59.0136 32.2263 177.4444 102 H 4.6403 7.9605 114.9799 55.4081 29.8404 176.6646 103 A 3.9983 7.7065 126.3512 55.1137 17.9594 180.0608 104 E 3.6274 7.8236 113.8773 58.4296 29.8420 177.7811 105 K 4.0439 7.5315 117.4892 55.8901 32.8410 175.8491 106 N 3.9981 7.5102 115.3181 53.9450 36.2480 174.5902 107 W 5.0433 7.7491 117.8286 55.8002 31.0191 177.1195 108 F 5.4408 9.1265 123.8918 55.3005 41.2278 175.8084 109 V 3.8692 8.9589 122.2380 63.3044 32.3671 175.2297 110 G 4.3544 8.6399 112.8422 45.2516 0.0000 171.4033 111 L 5.2903 8.4609 121.0454 52.4480 45.2257 177.1572 112 K 4.2017 9.0670 123.2628 55.5325 32.8831 178.3487 113 K 3.9632 8.4730 119.8690 59.4105 31.9609 177.8843 114 N 4.5834 8.0874 113.7169 52.5970 37.6205 175.8718 115 G 3.5172 8.1894 108.2803 45.3504 0.0000 173.8489 116 S 4.5976 8.0405 114.8262 57.6078 64.1427 173.5457 117 C 4.7848 8.2475 119.7096 59.5998 28.8211 173.6118 118 K 4.2086 8.6885 122.1587 56.2480 32.5861 177.0282 119 R 4.0404 8.5510 124.3409 55.8841 31.2352 176.9451 120 G 3.2441 8.6137 116.4324 48.2864 0.0000 174.0608 121 P 4.3665 0.0000 0.0000 64.1143 31.3887 177.4204 122 R 4.3099 7.9387 116.3960 56.4413 30.4239 176.3708 123 T 5.1431 7.6660 108.2881 60.0923 70.7118 173.4999 124 H 4.8631 7.9690 115.3139 54.7568 30.7726 172.8997 125 Y 3.9284 8.7099 118.4967 59.9726 38.1052 177.1744 126 G 4.0562 8.9592 111.3304 45.4605 0.0000 174.0477 127 Q 4.1629 7.3457 118.7753 55.3600 29.7586 177.2883 128 K 3.8037 8.3246 119.0983 58.9207 32.7808 179.5188 129 A 3.9891 8.0615 121.1156 53.9810 18.3380 178.4902 130 I 4.3785 7.1797 106.0379 60.6289 38.1945 175.2491 131 L 4.4568 7.2280 122.8974 53.6639 42.8644 175.7026 132 F 5.1543 9.4071 122.4668 55.5888 43.2161 174.1617 133 L 5.3299 9.2115 121.2355 52.3228 44.7956 174.0406 134 P 5.1052 0.0000 0.0000 62.6543 32.2770 175.4889 135 L 4.9062 9.1028 124.7745 51.7915 44.7724 174.3410 136 P 4.5439 0.0000 0.0000 63.0111 32.2144 176.8462 137 V 3.7279 8.2041 114.3989 61.7851 31.5766 176.2812 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 -3 H 8.44 4.73 0.00 3.14 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.67 4.43 0.00 3.18 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.62 5.08 0.00 3.20 3.33 0.00 5.71 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 0 H 8.92 4.61 0.00 3.32 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 F 8.38 4.94 0.00 2.80 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 2 N 8.55 4.56 0.00 2.94 2.78 0.00 0.00 6.88 6.74 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 3 L 8.05 4.72 0.00 1.45 1.40 0.54 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 2.15 2.11 0.00 3.66 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 1.94 1.91 0.00 5 P 0.00 4.42 0.00 2.16 2.17 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 6 G 7.57 3.79 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 0.00 0.00 0.00 7 N 7.98 4.35 0.00 2.59 2.62 0.00 0.00 5.75 7.55 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 8 Y 7.94 4.86 0.00 3.03 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 9 K 8.80 4.21 0.00 1.81 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.51 7.81 10 K 7.61 4.71 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 11 P 0.00 4.74 0.00 2.05 2.05 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.29 4.90 0.00 1.62 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.62 7.81 13 L 8.99 4.89 0.00 1.69 1.62 0.41 0.48 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 14 L 8.63 5.16 0.00 1.55 1.56 0.36 0.87 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 15 Y 9.24 4.93 0.00 3.29 3.12 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 16 C 8.80 4.12 0.00 2.38 2.47 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 17 S 8.43 3.91 0.00 3.98 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 18 N 7.66 4.10 0.00 2.61 2.63 0.00 0.00 6.81 7.98 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 19 G 7.71 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 0.00 0.00 0.00 20 G 7.63 3.41 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 0.00 21 H 7.40 4.93 0.00 3.00 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.93 5.29 0.00 3.03 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 23 L 9.01 4.63 0.00 1.85 1.52 0.95 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.25 4.96 0.00 1.93 2.05 0.00 3.25 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 25 I 8.30 4.78 1.84 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 1.17 0.74 0.88 0.00 0.00 26 L 8.86 4.15 0.00 1.76 1.51 0.92 0.81 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 27 P 0.00 4.15 0.00 2.00 2.11 0.00 3.50 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 28 D 7.98 4.56 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 29 G 8.51 4.22 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 0.00 0.00 0.00 30 T 8.27 4.21 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 31 V 8.06 4.88 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 0.94 0.00 0.00 32 D 8.60 4.61 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 4.58 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 0.00 34 T 8.79 4.99 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 1.37 0.00 0.00 35 R 8.83 4.24 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 36 D 8.29 4.62 0.00 2.83 2.65 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 37 R 8.62 3.83 0.00 1.90 1.90 0.00 3.28 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.56 0.00 38 S 8.35 4.43 0.00 3.99 3.95 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 39 D 7.71 4.41 0.00 2.82 2.64 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 40 Q 8.48 4.30 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 41 H 9.05 4.87 0.00 3.35 3.48 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.02 4.50 1.86 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 1.08 0.00 0.00 43 Q 7.79 4.31 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 44 L 8.95 5.17 0.00 1.57 1.42 0.80 0.83 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 45 Q 9.22 4.83 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 46 L 8.84 5.45 0.00 1.78 1.62 0.90 1.07 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 47 S 8.09 4.34 0.00 3.80 3.88 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 0.00 0.00 0.00 0.00 48 A 7.94 4.69 1.18 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 49 E 8.71 4.03 0.00 1.67 1.80 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 1.69 1.47 0.00 50 S 7.40 4.70 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 51 V 8.34 3.75 2.30 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 0.91 0.00 0.00 1.02 0.00 0.00 52 G 9.20 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 53 E 8.40 5.14 0.00 2.04 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 2.06 2.20 0.00 54 V 8.97 5.48 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 0.78 0.00 0.00 1.27 0.00 0.00 55 Y 8.29 5.32 0.00 2.99 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 56 I 8.54 4.48 1.69 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 1.07 0.60 0.65 0.00 0.00 57 K 8.61 4.74 0.00 1.53 1.26 0.00 1.31 0.00 0.00 1.34 0.00 0.00 2.28 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.98 7.81 58 S 8.94 4.55 0.00 3.79 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 59 T 8.63 3.84 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 1.21 0.00 0.00 60 E 8.41 4.06 0.00 1.99 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 2.20 2.38 0.00 61 T 8.04 4.37 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 1.23 0.00 0.00 62 G 8.27 3.87 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 0.00 0.00 0.00 63 Q 7.64 4.43 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 64 Y 8.96 4.65 0.00 2.78 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 65 L 8.96 4.47 0.00 1.58 1.47 0.80 0.25 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 66 A 8.67 5.13 0.43 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 67 M 8.69 5.33 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 68 D 9.40 5.27 0.00 2.93 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 69 T 8.52 4.13 4.34 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 1.27 0.00 0.00 70 D 8.52 4.77 0.00 2.70 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 71 G 8.54 3.27 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 0.00 72 L 8.21 4.80 0.00 1.85 1.62 0.90 0.74 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 73 L 8.55 5.00 0.00 1.57 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.92 5.00 0.00 3.00 3.01 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 75 G 8.85 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 0.00 0.00 0.00 0.00 76 S 8.95 5.07 0.00 3.76 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 77 Q 9.02 4.26 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 78 T 7.44 4.62 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 1.20 0.00 0.00 79 P 0.00 3.56 0.00 1.64 0.49 0.00 3.45 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 80 N 8.01 4.99 0.00 2.89 2.89 0.00 0.00 6.02 7.66 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 81 E 8.68 3.99 0.00 2.05 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 0.00 2.27 2.31 0.00 82 E 8.75 4.15 0.00 2.32 2.34 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 2.41 2.35 0.00 83 C 7.91 4.96 0.00 3.18 3.13 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 0.00 0.00 0.00 84 L 7.44 4.71 0.00 1.45 1.44 0.82 0.50 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 85 F 8.99 5.24 0.00 3.09 3.13 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 0.00 0.00 0.00 86 L 9.20 4.91 0.00 1.55 1.65 0.95 0.80 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 87 E 8.89 4.64 0.00 2.17 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 2.17 1.88 0.00 88 R 8.58 4.82 0.00 1.78 1.79 0.00 3.15 0.00 0.00 2.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 89 L 8.59 4.68 0.00 1.53 1.61 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.12 4.70 0.00 2.21 1.85 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 2.28 2.43 0.00 91 E 9.77 4.00 0.00 2.51 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 2.38 2.40 0.00 92 N 8.66 4.50 0.00 2.87 2.91 0.00 0.00 6.86 8.16 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 93 H 7.77 4.80 0.00 3.03 2.92 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.15 4.64 0.00 2.99 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 95 N 9.42 5.49 0.00 2.90 2.54 0.00 0.00 6.95 6.74 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 96 T 8.77 5.25 4.54 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 1.38 0.00 0.00 97 Y 8.61 5.07 0.00 2.79 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 98 I 8.55 4.55 1.67 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.18 0.60 0.00 0.00 99 S 8.93 4.05 0.00 4.07 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 0.00 100 K 8.79 4.00 0.00 1.73 1.70 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.34 7.81 101 K 7.98 3.82 0.00 1.78 1.67 0.00 1.52 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.05 7.81 102 H 7.96 4.64 0.00 3.08 2.21 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.71 4.00 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 0.00 104 E 7.82 3.63 0.00 1.83 1.66 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 2.09 2.13 0.00 105 K 7.53 4.04 0.00 0.86 1.44 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.09 0.87 7.81 106 N 7.51 4.00 0.00 3.07 3.09 0.00 0.00 6.91 7.66 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 0.00 107 W 7.75 5.04 0.00 3.29 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 0.00 108 F 9.13 5.44 0.00 2.85 3.01 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 0.00 109 V 8.96 3.87 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 0.67 0.00 0.00 0.55 0.00 0.00 110 G 8.64 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 0.00 0.00 0.00 0.00 111 L 8.46 5.29 0.00 1.45 1.44 1.01 0.78 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 0.00 112 K 9.07 4.20 0.00 1.92 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 113 K 8.47 3.96 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.41 7.81 114 N 8.09 4.58 0.00 2.78 2.89 0.00 0.00 6.16 7.00 0.00 0.00 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 8.19 3.52 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 0.00 0.00 0.00 116 S 8.04 4.60 0.00 4.00 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 0.00 117 C 8.25 4.78 0.00 2.88 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 0.00 118 K 8.69 4.21 0.00 1.62 1.70 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.49 7.81 119 R 8.55 4.04 0.00 1.79 1.62 0.00 3.21 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 120 G 8.61 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 0.00 0.00 0.00 121 P 0.00 4.37 0.00 1.97 2.21 0.00 2.97 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 1.80 1.99 0.00 122 R 7.94 4.31 0.00 1.84 1.93 0.00 3.28 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 123 T 7.67 5.14 4.34 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 1.27 0.00 0.00 124 H 7.97 4.86 0.00 3.46 3.52 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.71 3.93 0.00 3.10 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 0.00 126 G 8.96 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 0.00 0.00 0.00 127 Q 7.35 4.16 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.77 0.00 0.00 0.00 0.00 0.00 2.13 1.90 0.00 128 K 8.32 3.80 0.00 1.76 1.64 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.32 7.81 129 A 8.06 3.99 1.22 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 0.00 0.00 130 I 7.18 4.38 1.58 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 1.27 1.10 0.53 0.00 0.00 131 L 7.23 4.46 0.00 1.11 0.60 0.31 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.41 5.15 0.00 3.36 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.21 5.33 0.00 1.84 1.67 1.10 0.86 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 0.00 134 P 0.00 5.11 0.00 2.15 2.19 0.00 3.80 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 2.04 2.08 0.00 135 L 9.10 4.91 0.00 1.66 1.62 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.54 0.00 1.92 2.00 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 137 V 8.20 3.73 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 0.65 0.00 0.00 0.90 0.00 0.00