NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4526 8.3049 120.3264 55.1453 34.0936 176.7028 2 S 4.4511 7.6861 117.8730 55.1411 61.7569 171.7869 3 L 4.3287 8.3667 125.3280 56.8807 42.6277 177.7008 4 A 4.5328 7.5754 121.5318 51.2603 19.5596 174.8111 5 T 4.5147 8.1521 109.1466 60.7590 70.3551 176.5849 6 E 3.2901 8.8496 123.6636 59.1818 29.0846 174.9707 7 G 4.2660 9.1127 106.5799 45.5079 0.0000 172.6722 8 N 4.3102 7.8336 118.3416 53.7427 39.4679 174.6291 9 G 4.1153 8.0838 111.8157 46.1278 0.0000 172.5820 10 K 4.7366 7.6228 119.5178 54.2694 36.8698 174.7504 11 V 5.1151 8.1843 120.8072 59.1673 33.0472 174.8465 12 I 4.6760 8.3389 126.8191 59.5287 39.7789 174.4608 13 H 5.8850 9.2107 122.7960 54.3042 29.5564 174.2103 14 L 4.9897 8.5210 122.0832 54.2436 44.6939 175.0685 15 T 5.5841 8.4018 108.2720 58.9725 71.1845 175.4447 16 K 4.1910 8.8901 120.1558 59.9675 32.4065 178.9575 17 A 4.0494 8.0776 121.8864 55.1880 18.2813 179.2795 18 E 3.9435 7.8876 115.8463 59.0892 29.4062 179.2053 19 F 3.8132 8.5836 121.1446 61.3949 39.2671 176.6460 20 L 4.5445 8.8114 119.9178 57.4517 41.2236 179.6358 21 A 3.8940 7.6756 118.5681 54.7263 18.6131 179.0415 22 K 4.3045 7.4697 112.7793 56.1715 33.0731 176.7116 23 V 4.2133 6.8872 117.7121 63.4672 33.5340 174.6192 24 Y 5.0003 7.9561 116.4545 57.7535 42.1106 172.5818 25 N 4.4312 8.0817 127.0226 52.1512 37.7464 174.1378 26 F 4.9239 6.7992 116.0343 56.2199 38.3385 176.7636 27 E 4.2609 7.5523 121.0828 58.9796 29.9382 177.7902 28 K 4.1707 7.7342 115.6250 57.9681 33.2751 177.0877 29 N 5.3571 8.3230 116.1691 49.5233 38.4330 173.0193 30 P 4.3902 0.0000 0.0000 64.9995 31.8234 177.9669 31 E 4.4365 8.3802 115.5236 57.1824 30.9533 175.8447 32 E 4.4950 8.0345 117.3522 54.3517 31.4175 174.7539 33 W 4.7653 9.3896 129.5491 55.8413 32.0084 174.3099 34 K 4.5024 8.2091 125.5240 54.6598 33.4955 174.3402 35 Y 4.7257 8.4974 129.8641 57.4082 39.8083 175.0635 36 E 4.4251 8.7172 125.8562 56.0008 30.2848 176.4532 37 G 3.4248 5.4940 108.0346 43.8377 0.0000 173.8249 38 D 4.5321 8.4210 120.4828 54.8542 41.7647 177.1007 39 K 4.7569 7.6248 116.2613 53.3039 35.1889 173.8875 40 P 4.6543 0.0000 0.0000 63.2963 32.3501 175.3095 41 A 5.8631 8.6218 124.6149 49.4148 22.9293 175.3083 42 I 4.7240 8.0490 119.2402 59.6183 40.8310 174.8422 43 V 4.5155 8.8659 129.1076 61.3395 33.1478 174.2810 44 D 5.1119 8.8866 129.8902 53.2726 42.5297 175.4000 45 F 5.0461 9.8417 127.2811 57.0627 39.7792 174.5821 46 Y 5.2420 9.0988 121.1802 54.9906 42.0526 174.3694 47 A 4.8843 7.8883 121.3527 48.8722 21.5565 176.9827 48 D 4.2993 8.7788 123.4137 56.7615 41.4182 177.2238 49 W 4.4383 7.7750 113.6006 57.2588 28.3275 175.5606 50 C 4.6034 7.5775 121.3244 57.6228 32.9532 173.4116 51 G 3.6141 8.7101 115.3512 47.6491 0.0000 173.3564 52 P 4.2711 0.0000 0.0000 65.4940 31.2467 178.4488 53 C 4.1998 7.3426 113.2632 62.7276 27.8091 176.2321 54 K 4.1814 8.0516 120.2437 59.6427 31.5742 179.2121 55 M 4.0888 7.8797 118.8959 58.4066 31.7929 179.2327 56 V 3.6187 7.8029 118.5225 64.4400 31.4790 177.9719 57 A 3.9424 7.5204 121.0359 54.7415 18.1912 177.7348 58 P 4.1612 0.0000 0.0000 65.6272 31.3512 178.9353 59 I 3.6121 7.4353 118.3651 64.4721 36.9850 178.5316 60 L 3.5934 8.3125 120.7090 57.5159 41.3270 179.0999 61 D 4.2265 8.3555 118.4697 57.2466 41.1590 178.0208 62 E 3.9075 8.2230 119.0659 59.7052 29.4767 179.5376 63 L 4.6853 8.3966 120.0283 57.0968 41.4961 179.4711 64 A 3.9769 8.2868 121.3364 55.1875 18.1393 179.6886 65 K 4.0292 7.8731 116.7666 59.5181 32.6420 178.6405 66 E 4.1194 8.4431 119.2067 58.4121 29.2000 177.7235 67 Y 4.6519 8.2340 116.2251 56.5285 39.4239 175.1956 68 D 4.4810 7.5742 119.2008 55.9614 42.0155 175.5352 69 G 4.2152 9.1525 114.5610 45.6217 0.0000 174.5498 70 Q 4.2907 7.8728 115.9346 56.8216 28.3001 175.4110 71 I 4.8262 7.5275 110.7468 58.6732 41.4285 174.9391 72 V 4.4330 8.5652 122.2255 61.2947 34.4680 174.0588 73 I 4.6159 7.9415 128.4179 59.9489 39.6286 174.4216 74 Y 5.7182 8.9241 122.9643 56.3615 42.6610 174.0832 75 K 5.2817 9.2651 118.5926 55.9842 36.6863 175.4658 76 V 4.9559 9.2029 120.4853 59.6362 34.9670 174.9812 77 D 4.3048 8.4374 121.3890 53.6138 39.9331 177.2757 78 T 3.9723 8.2489 122.9173 66.5674 68.4533 175.9691 79 E 4.1169 8.3454 120.2892 58.7094 29.1910 178.6753 80 K 4.3416 7.4506 116.9639 57.5914 34.6906 176.9141 81 E 4.5128 8.4796 120.5230 56.3397 29.8359 178.5024 82 Q 4.0537 8.0163 120.1941 59.2255 29.1436 178.1486 83 E 3.8924 8.0074 119.1978 58.9692 29.0910 179.0008 84 L 3.4406 7.6341 119.7102 58.0425 42.3150 178.7608 85 A 4.2337 8.4280 121.2335 55.1864 18.3220 179.8846 86 G 3.4958 8.5587 104.4790 47.6393 0.0000 175.8342 87 A 3.8246 7.4965 123.3879 54.9788 18.3677 178.3255 88 F 4.4607 7.3482 111.3770 57.6689 38.4151 176.7028 89 G 3.9236 8.1778 109.7377 45.9030 0.0000 175.9070 90 I 3.6069 7.6582 122.0517 62.1622 36.7420 175.9566 91 R 4.2132 7.7445 122.0026 56.0746 29.3999 177.1638 92 S 4.7408 7.4173 113.8179 58.2086 69.7925 174.7280 93 I 4.3570 7.8962 114.6081 59.8436 40.6842 172.5125 94 P 5.0873 0.0000 0.0000 61.9474 33.7343 174.3776 95 S 5.0822 8.8398 115.1167 56.8495 66.4689 172.5622 96 I 4.8716 8.7789 127.4529 59.5557 39.8913 174.3408 97 L 4.7745 9.1629 131.1122 53.7116 43.6044 175.4237 98 F 4.9019 9.2691 127.4062 56.4592 40.6532 175.5393 99 I 4.3392 8.8389 127.4652 58.8233 38.0203 174.4241 100 P 4.7199 0.0000 0.0000 62.4412 32.1443 176.3247 101 M 4.4489 8.3942 117.1289 55.8464 32.2285 176.1871 102 E 4.4467 7.9931 119.5918 57.2128 32.0647 174.0137 103 G 3.9564 9.0993 114.5216 44.0928 0.0000 171.6121 104 K 4.5968 8.1567 118.0799 53.5587 34.9290 173.9618 105 P 4.8043 0.0000 0.0000 62.3759 32.2323 175.8980 106 E 4.6791 8.8437 122.1477 55.7700 31.9766 174.6051 107 M 5.4805 8.3017 116.6244 53.9096 34.5959 174.2476 108 A 4.6751 9.0854 122.8431 50.2487 22.1570 175.0144 109 Q 4.4789 8.6795 122.2493 56.2791 29.6514 176.9327 110 G 3.8901 8.7574 110.3006 45.5033 0.0000 173.8012 111 A 4.4944 8.0094 123.8919 50.5701 17.3304 177.4217 112 M 4.2708 7.9132 118.7240 54.2318 32.3679 175.7067 113 P 4.6879 0.0000 0.0000 61.9354 34.0860 176.6922 114 K 3.9116 8.7331 117.1780 59.7118 31.6422 178.3566 115 A 3.9774 7.9314 120.3907 55.4878 18.5632 179.7349 116 S 4.0814 8.0425 113.1502 61.5706 62.9299 176.8436 117 F 3.9981 8.6087 121.0331 60.3591 38.6398 177.4263 118 K 3.9559 8.2397 119.3462 59.5049 32.0696 178.7215 119 K 4.6176 8.1684 120.8958 59.0380 31.9041 178.7606 120 A 3.6689 7.6654 120.1231 54.7826 18.5567 179.5712 121 I 3.8100 8.1793 118.7382 64.8717 37.3147 177.8401 122 D 4.2498 8.2269 119.4337 57.0802 41.2018 177.0653 123 E 4.3792 8.1174 116.0616 56.6558 30.0664 177.6737 124 F 4.6106 7.7488 119.8417 58.6925 42.1899 176.5056 125 L 3.6058 7.7100 120.2722 57.6012 42.1831 177.7959 126 L 4.1815 7.7181 116.7968 57.0629 42.2153 177.8629 127 K 4.2114 8.1166 122.2952 55.2411 31.0431 177.1620 128 K 4.8275 7.2737 125.0386 55.2494 31.3847 178.4283 129 E 3.8853 7.8964 121.8901 58.7026 30.3829 177.0847 130 G 3.9812 7.9750 105.5078 45.6032 0.0000 172.9077 131 H 4.5556 7.8525 118.0461 54.9015 29.6771 174.0874 132 H 4.0161 8.7848 119.9515 56.2889 26.2822 174.5439 133 H 4.5891 7.7525 118.9669 55.0311 29.2990 173.7688 134 H 4.8226 8.4267 122.0508 54.7975 30.5139 175.2430 135 H 5.1375 7.3880 129.5105 57.4505 29.6705 173.4148 136 H 4.2471 7.8157 121.9073 56.4402 29.7245 172.4864 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 4.45 0.00 2.02 2.19 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 2.50 2.51 0.00 2 S 7.69 4.45 0.00 3.93 3.81 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 0.00 0.00 0.00 0.00 3 L 8.37 4.33 0.00 1.74 1.78 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.58 4.53 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.15 4.51 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 6 E 8.85 3.29 0.00 2.09 1.50 0.00 0.00 0.00 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 2.28 0.00 7 G 9.11 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 0.00 0.00 0.00 0.00 8 N 7.83 4.31 0.00 2.67 2.72 0.00 0.00 7.32 8.04 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 9 G 8.08 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 10 K 7.62 4.74 0.00 1.80 1.73 0.00 1.51 0.00 0.00 1.92 0.00 0.00 3.30 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.45 7.81 11 V 8.18 5.12 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 0.85 0.00 0.00 0.84 0.00 0.00 12 I 8.34 4.68 2.17 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 1.46 1.15 0.98 0.00 0.00 13 H 9.21 5.89 0.00 3.39 3.37 0.00 5.27 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.52 4.99 0.00 1.69 1.72 1.07 -0.31 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 15 T 8.40 5.58 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 1.28 0.00 0.00 16 K 8.89 4.19 0.00 2.40 2.18 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.83 1.68 7.81 17 A 8.08 4.05 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 18 E 7.89 3.94 0.00 2.28 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 2.30 2.41 0.00 19 F 8.58 3.81 0.00 3.37 3.39 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 20 L 8.81 4.54 0.00 1.75 1.49 0.60 -0.56 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 21 A 7.68 3.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 4.30 0.00 1.54 1.77 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.55 7.81 23 V 6.89 4.21 1.90 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 0.97 0.00 0.00 0.63 0.00 0.00 24 Y 7.96 5.00 0.00 2.04 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 25 N 8.08 4.43 0.00 2.59 2.49 0.00 0.00 6.53 7.85 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 26 F 6.80 4.92 0.00 3.00 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 27 E 7.55 4.26 0.00 1.80 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 2.05 1.77 0.00 28 K 7.73 4.17 0.00 1.68 1.83 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.43 7.81 29 N 8.32 5.36 0.00 3.02 3.10 0.00 0.00 6.84 8.37 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 30 P 0.00 4.39 0.00 2.23 2.24 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 31 E 8.38 4.44 0.00 2.19 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 0.00 2.36 2.31 0.00 32 E 8.03 4.50 0.00 2.12 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 2.37 2.34 0.00 33 W 9.39 4.77 0.00 3.25 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 34 K 8.21 4.50 0.00 2.15 1.66 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.51 7.81 35 Y 8.50 4.73 0.00 3.26 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 36 E 8.72 4.43 0.00 1.64 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 2.14 2.26 0.00 37 G 5.49 3.42 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 0.00 38 D 8.42 4.53 0.00 2.66 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 39 K 7.62 4.76 0.00 1.75 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.43 7.81 40 P 0.00 4.65 0.00 2.10 2.00 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 41 A 8.62 5.86 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 42 I 8.05 4.72 1.78 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.57 0.00 0.00 43 V 8.87 4.52 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 0.72 0.00 0.00 0.97 0.00 0.00 44 D 8.89 5.11 0.00 2.77 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 45 F 9.84 5.05 0.00 3.22 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 46 Y 9.10 5.24 0.00 2.93 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 47 A 7.89 4.88 0.42 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 48 D 8.78 4.30 0.00 2.61 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 49 W 7.78 4.44 0.00 3.58 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 50 C 7.58 4.60 0.00 1.97 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 51 G 8.71 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 52 P 0.00 4.27 0.00 2.15 2.15 0.00 3.58 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 2.11 2.21 0.00 53 C 7.34 4.20 0.00 3.00 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 54 K 8.05 4.18 0.00 2.07 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.75 7.81 55 M 7.88 4.09 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 56 V 7.80 3.62 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 0.94 0.00 0.00 0.96 0.00 0.00 57 A 7.52 3.94 1.16 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 0.00 0.00 0.00 58 P 0.00 4.16 0.00 2.13 2.08 0.00 3.78 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 2.08 2.14 0.00 59 I 7.44 3.61 1.77 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 1.76 0.91 0.85 0.00 0.00 60 L 8.31 3.59 0.00 1.63 1.48 0.72 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.36 4.23 0.00 2.76 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 62 E 8.22 3.91 0.00 2.27 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 0.00 2.31 2.49 0.00 63 L 8.40 4.69 0.00 1.56 1.74 1.19 1.01 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 64 A 8.29 3.98 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 65 K 7.87 4.03 0.00 1.76 2.07 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.60 7.81 66 E 8.44 4.12 0.00 2.36 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 2.30 2.53 0.00 67 Y 8.23 4.65 0.00 3.14 2.95 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 68 D 7.57 4.48 0.00 2.81 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 69 G 9.15 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 70 Q 7.87 4.29 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.02 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 71 I 7.53 4.83 1.87 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 1.45 0.94 0.93 0.00 0.00 72 V 8.57 4.43 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 0.52 0.00 0.00 0.89 0.00 0.00 73 I 7.94 4.62 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.48 0.81 0.00 0.00 74 Y 8.92 5.72 0.00 2.76 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 75 K 9.27 5.28 0.00 1.74 1.73 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.23 1.44 7.81 76 V 9.20 4.96 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 0.36 0.00 0.00 1.06 0.00 0.00 77 D 8.44 4.30 0.00 2.86 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 78 T 8.25 3.97 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 1.34 0.00 0.00 79 E 8.35 4.12 0.00 2.09 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 0.00 2.72 2.74 0.00 80 K 7.45 4.34 0.00 1.85 1.93 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 81 E 8.48 4.51 0.00 2.34 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 2.32 2.38 0.00 82 Q 8.02 4.05 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.41 6.93 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 83 E 8.01 3.89 0.00 1.88 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 2.35 2.38 0.00 84 L 7.63 3.44 0.00 1.46 1.73 0.58 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.43 4.23 1.53 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 0.00 0.00 86 G 8.56 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 7.35 4.46 0.00 2.78 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 89 G 8.18 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 90 I 7.66 3.61 1.75 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.36 0.48 0.00 0.00 91 R 7.74 4.21 0.00 2.15 2.05 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 92 S 7.42 4.74 0.00 3.88 3.73 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 93 I 7.90 4.36 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.08 1.02 0.00 0.00 94 P 0.00 5.09 0.00 2.31 2.23 0.00 3.37 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 95 S 8.84 5.08 0.00 3.70 3.36 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 96 I 8.78 4.87 1.82 0.00 0.00 1.05 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 0.98 0.47 0.00 0.00 97 L 9.16 4.77 0.00 1.93 1.62 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 98 F 9.27 4.90 0.00 3.26 3.15 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 0.00 99 I 8.84 4.34 1.63 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.16 0.28 0.00 0.00 100 P 0.00 4.72 0.00 2.27 1.77 0.00 3.63 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 2.01 1.71 0.00 101 M 8.39 4.45 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 102 E 7.99 4.45 0.00 1.88 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 2.21 2.22 0.00 103 G 9.10 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 0.00 104 K 8.16 4.60 0.00 1.66 1.49 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.44 7.81 105 P 0.00 4.80 0.00 1.64 1.60 0.00 2.47 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.44 0.00 106 E 8.84 4.68 0.00 2.33 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 2.63 2.46 0.00 107 M 8.30 5.48 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 108 A 9.09 4.68 1.20 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 0.00 0.00 0.00 109 Q 8.68 4.48 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 5.27 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 110 G 8.76 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 0.00 0.00 0.00 111 A 8.01 4.49 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 0.00 112 M 7.91 4.27 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 113 P 0.00 4.69 0.00 2.34 2.29 0.00 3.71 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 2.18 2.03 0.00 114 K 8.73 3.91 0.00 1.88 1.91 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.57 7.81 115 A 7.93 3.98 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 0.00 116 S 8.04 4.08 0.00 3.81 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 0.00 117 F 8.61 4.00 0.00 3.34 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 0.00 118 K 8.24 3.96 0.00 2.09 2.03 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.72 7.81 119 K 8.17 4.62 0.00 1.79 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.58 7.81 120 A 7.67 3.67 0.72 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 0.00 0.00 121 I 8.18 3.81 1.58 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 1.80 1.42 0.60 0.00 0.00 122 D 8.23 4.25 0.00 2.61 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 0.00 123 E 8.12 4.38 0.00 2.29 1.93 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 2.33 2.25 0.00 124 F 7.75 4.61 0.00 2.82 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 0.00 125 L 7.71 3.61 0.00 1.69 1.84 0.97 1.07 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 0.00 126 L 7.72 4.18 0.00 1.86 1.69 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.12 4.21 0.00 1.76 1.76 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.37 7.81 128 K 7.27 4.83 0.00 1.72 1.73 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.30 7.81 129 E 7.90 3.89 0.00 1.85 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 2.23 2.27 0.00 130 G 7.97 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 0.00 0.00 0.00 131 H 7.85 4.56 0.00 3.10 3.47 0.00 5.76 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.78 4.02 0.00 3.48 3.42 0.00 5.88 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 7.75 4.59 0.00 3.09 3.38 0.00 5.90 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 0.00 134 H 8.43 4.82 0.00 3.25 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.39 5.14 0.00 3.18 3.43 0.00 5.72 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 0.00 136 H 7.82 4.25 0.00 3.06 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00