NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6452 0.0000 0.0000 62.5860 33.8114 174.2516 2 I 4.7399 8.0711 121.2169 59.4351 39.1000 170.9315 3 V 4.5380 9.3931 119.7192 59.1985 36.4402 174.7586 4 Q 4.4559 8.8690 125.1609 56.7147 30.1414 175.1066 5 N 5.2911 8.0732 118.2962 51.3548 39.7850 174.6746 6 L 4.1721 8.5056 116.1067 58.1692 42.0014 178.2367 7 Q 4.0646 8.0577 115.9037 56.9418 28.9819 176.7502 8 G 4.0470 7.6814 104.8066 44.8124 0.0000 173.7381 9 Q 4.2791 7.8890 119.3144 55.6298 30.0487 175.6893 10 M 4.5400 8.6836 123.3297 56.0095 32.5696 175.9984 11 V 4.5995 8.9270 115.9638 59.8523 36.9584 173.8361 12 H 5.0507 8.7260 122.0349 56.0552 30.6724 174.1989 13 Q 4.5052 8.8202 125.2712 53.8815 32.0448 174.7052 14 A 4.1213 8.5355 128.1826 51.8004 19.2058 177.0806 15 I 3.7952 7.9965 120.5740 60.4690 38.8690 176.4681 16 S 4.2281 8.5030 121.7212 57.7581 63.6267 173.4306 17 P 4.2617 0.0000 0.0000 65.5836 31.0468 179.1104 18 R 3.9370 7.9037 116.6579 59.5330 30.1101 178.9334 19 T 3.8831 7.7328 115.1251 66.7045 68.3762 176.6211 20 L 4.1550 8.2350 121.0435 58.0412 41.6381 179.4399 21 N 4.4035 8.6697 116.6623 56.0347 38.4756 177.3528 22 A 4.0222 8.3660 122.6240 54.9020 18.5740 179.4945 23 W 4.2430 8.3739 126.9225 60.5125 30.7795 178.2304 24 V 3.2800 8.1788 118.6186 66.0832 30.9525 178.2713 25 K 3.8978 8.0414 118.0061 59.0782 31.7208 179.6127 26 V 3.4081 7.5722 118.7140 66.0315 31.4916 178.3580 27 V 2.8931 6.8200 117.5861 65.6048 30.9242 177.8759 28 E 3.8500 7.7151 117.8572 59.1894 29.3806 178.4043 29 E 4.1510 7.9434 118.0199 57.6660 30.1596 177.4896 30 K 4.3319 8.0181 115.6259 55.0196 33.8759 176.8389 31 A 3.2018 7.9979 122.1074 53.6871 17.9004 179.2559 32 F 4.4018 7.0462 108.7344 58.2355 39.3777 175.4219 33 S 4.7630 7.7303 115.6185 57.0605 64.4682 173.4551 34 P 4.2770 0.0000 0.0000 66.2207 30.6390 178.5125 35 E 4.1782 8.2015 115.8884 58.4467 29.3596 179.2647 36 V 3.9029 7.9683 119.7336 64.2892 31.6386 178.5434 37 I 3.8328 7.9861 121.2257 63.9336 37.0754 176.4834 38 P 4.3595 0.0000 0.0000 66.1713 30.9790 178.2410 39 M 4.1138 7.8860 117.2143 58.2135 31.6882 178.2757 40 F 3.6900 8.3484 119.6770 61.3990 39.8788 176.8714 41 S 4.0552 8.1658 111.9691 61.1285 61.9442 175.8963 42 A 4.0507 7.8351 122.8160 54.3945 18.3084 178.6507 43 L 4.3181 7.9654 115.6590 55.0998 42.1782 177.2542 44 S 4.4561 7.3119 113.9480 57.3881 63.4591 173.6095 45 E 3.9825 8.2002 120.4960 58.7196 29.7450 177.5122 46 G 3.8124 8.3626 112.4795 45.5369 0.0000 173.2029 47 A 4.1658 7.6314 123.6378 52.3800 18.9944 178.1360 48 T 4.2879 8.7911 113.0025 60.2628 71.5069 174.4283 49 P 4.5532 0.0000 0.0000 65.8873 31.2117 178.6518 50 Q 3.9933 8.5851 118.3832 59.2491 28.9660 178.1911 51 D 4.3365 8.1615 119.7242 57.4239 40.9354 178.5137 52 L 3.9407 8.2589 119.7941 58.2380 41.6481 179.5585 53 N 4.4962 8.6338 116.2521 56.5607 38.1995 177.5529 54 T 3.9538 7.8781 116.5968 66.8680 68.7195 176.2369 55 M 4.3112 8.1475 120.4162 58.5465 31.9008 178.8206 56 L 4.2892 8.1601 119.0797 58.0065 41.6042 179.2743 57 N 4.5363 8.6108 115.4748 55.9491 38.5154 176.8559 58 T 4.3110 7.6531 115.9025 64.0118 68.9008 175.0879 59 V 3.7098 7.3821 122.2180 62.6235 31.9469 175.2694 60 G 4.0478 8.6352 116.4163 44.9723 0.0000 175.3074 61 G 3.7456 8.6498 110.4059 46.1592 0.0000 173.1942 62 H 4.2998 8.8058 113.3880 56.5432 26.8901 176.8816 63 Q 4.0853 8.3204 119.3961 59.1743 28.4886 178.1581 64 A 4.0627 8.0386 121.1490 54.7843 18.4298 179.4007 65 A 3.9537 7.8639 119.0794 55.5375 18.5358 179.5871 66 M 3.9536 8.1185 117.2430 58.5360 31.9434 179.1186 67 Q 3.9760 8.0980 118.3287 59.0718 28.9521 178.2353 68 M 3.9868 8.0255 119.3037 58.4487 32.2705 177.9962 69 L 3.8698 8.0938 120.7143 58.0594 42.2489 178.8763 70 K 3.9759 8.3547 119.9273 59.3143 32.0719 178.1451 71 E 3.8941 8.3212 119.6973 59.7386 29.6289 178.8888 72 T 3.9658 7.9017 115.4615 66.8469 68.4738 176.4535 73 I 3.8041 7.8282 121.4699 64.7066 37.1644 178.3135 74 N 4.3624 8.3785 117.2319 56.1745 38.3337 177.3387 75 E 3.8887 8.2673 120.1955 59.4359 29.4229 179.2980 76 E 3.5446 7.7959 118.1027 58.8148 29.3892 179.0291 77 A 3.4532 7.5834 120.9721 55.0461 18.3500 179.6241 78 A 3.9707 7.9836 119.1931 55.1836 18.4311 179.7317 79 E 3.8495 8.1203 117.2491 59.1174 29.2808 179.1195 80 W 4.2977 8.1300 127.6830 60.9642 31.1939 177.5100 81 D 4.6174 8.3427 118.5759 57.2807 39.9950 178.7220 82 R 3.8966 8.0007 118.7987 58.9726 30.2141 177.7098 83 L 4.4006 7.6050 115.5424 54.4572 43.1167 176.9769 84 H 4.5855 7.3162 115.9363 51.9495 29.0651 170.5997 85 P 4.2440 0.0000 0.0000 62.4772 31.7602 177.4274 86 V 3.6405 8.3670 120.8672 62.9547 32.0412 174.9369 87 A 4.6882 8.3532 129.2916 50.1483 21.0483 175.8399 88 A 4.1630 8.4295 124.0308 51.6942 19.1856 177.9661 89 A 4.3373 8.3413 125.3248 50.5794 19.8465 173.6353 90 P 4.1797 0.0000 0.0000 63.7328 31.9370 176.5252 91 I 3.8247 8.2869 122.8497 60.5947 38.6158 175.2796 92 A 4.3790 8.3954 130.5797 50.5582 19.5253 174.6226 93 P 4.4340 0.0000 0.0000 64.0754 31.7385 177.3662 94 G 3.9019 8.9886 110.3787 45.6708 0.0000 172.4326 95 Q 4.8158 7.7868 118.3158 54.1172 31.6835 174.1685 96 M 4.7672 8.1048 116.4658 53.6469 35.2919 174.9132 97 R 4.1471 8.6579 120.8603 56.3798 29.9340 176.1273 98 E 4.2255 8.6920 119.5933 55.6577 30.0995 175.3238 99 P 4.2623 0.0000 0.0000 62.5539 32.2248 176.7570 100 R 4.7501 8.9123 120.5300 54.6025 33.0682 178.0038 101 G 4.0667 9.5162 108.2332 48.5784 0.0000 176.2565 102 S 4.2589 8.0478 115.8968 60.6141 63.2265 176.1790 103 D 4.3006 7.7939 122.5308 57.4285 40.4771 178.3580 104 I 3.2334 7.1247 118.7499 64.0074 37.0473 177.7478 105 A 2.5800 7.4462 119.1605 51.8296 18.3671 178.3909 106 G 3.9168 7.5126 105.1356 45.5838 0.0000 175.0839 107 T 4.0087 7.8645 117.8466 66.0605 68.4319 175.5881 108 T 4.6069 7.8883 107.5096 60.8819 69.4509 173.3048 109 S 5.0990 7.8133 116.6466 56.8974 65.7548 173.6827 110 T 4.2521 8.5421 113.4140 60.7980 71.0659 175.6206 111 L 3.8969 8.3622 123.0222 58.6626 41.9848 179.2754 112 Q 3.8717 7.8881 117.2748 58.9339 28.6966 178.3788 113 E 3.4369 7.9543 119.5873 59.0865 29.2799 179.4335 114 Q 4.2289 7.7086 117.4795 59.1615 28.8468 178.8052 115 I 3.7733 7.9567 121.1105 64.3721 37.3023 178.5884 116 G 3.5338 8.3357 106.6755 47.6689 0.0000 175.7645 117 W 4.4456 8.3233 121.9098 59.8688 28.8974 178.6914 118 M 4.2767 8.3949 117.6582 57.5429 31.4075 177.8394 119 T 4.5167 7.6625 107.1567 60.7249 69.4757 173.9807 120 H 4.2940 7.3022 121.2901 56.3386 30.5726 173.8623 121 N 4.8182 7.9657 119.7101 50.6816 39.9089 172.8522 122 P 4.6469 0.0000 0.0000 60.9427 32.7216 174.4934 123 P 4.6567 0.0000 0.0000 62.2566 31.9431 176.2614 124 I 4.3156 8.4590 121.8715 59.2440 37.8779 175.5107 125 P 4.6172 0.0000 0.0000 61.9307 28.1347 176.9398 126 V 3.4132 7.6194 117.7319 64.7623 31.8870 178.2267 127 G 3.6782 7.8625 106.5953 47.3156 0.0000 175.5077 128 E 3.9049 7.9747 120.7436 58.9918 29.6251 179.3131 129 I 3.4352 7.5261 119.8346 64.4942 37.0468 177.9301 130 Y 3.4318 7.5386 120.2101 60.0200 38.5560 177.5202 131 K 3.7544 8.1237 121.0211 59.4633 32.3720 178.8110 132 R 3.9829 7.9488 118.2945 59.1819 30.0062 179.0137 133 W 4.4153 7.9793 118.0046 60.0310 29.1329 178.5745 134 I 3.6078 7.9287 119.7857 64.4528 36.4655 178.5277 135 I 3.7046 7.8451 120.5407 64.2923 36.7757 178.4499 136 L 4.1167 8.0284 119.8210 57.7352 41.4763 179.8602 137 G 3.5499 8.1138 105.5946 47.7519 0.0000 175.6109 138 L 3.8869 8.3293 122.0044 57.6723 41.4120 179.3525 139 N 4.4126 8.0483 115.1847 56.1348 38.5980 177.1714 140 K 4.1003 7.8401 121.3231 59.5671 32.3358 179.0445 141 I 3.8662 7.8456 113.2716 63.7836 37.6472 178.4021 142 V 4.2674 8.2865 115.8377 63.5867 31.1173 177.9411 143 R 4.2280 7.6451 115.8050 57.9442 29.9007 177.8323 144 M 4.2751 8.3787 118.8393 56.0763 32.3777 175.0035 145 Y 4.7547 8.1742 115.8574 56.0297 41.2768 175.6502 146 S 4.3480 8.6033 114.0359 58.6841 62.7792 173.3361 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 P 0.00 4.65 0.00 2.04 2.09 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 2 I 8.07 4.74 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 0.91 0.00 0.00 3 V 9.39 4.54 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 0.76 0.00 0.00 0.93 0.00 0.00 4 Q 8.87 4.46 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 5 N 8.07 5.29 0.00 2.97 2.90 0.00 0.00 7.39 6.55 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 6 L 8.51 4.17 0.00 1.63 1.76 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.06 4.06 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 8 G 7.68 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 0.00 0.00 0.00 9 Q 7.89 4.28 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.33 0.00 10 M 8.68 4.54 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 11 V 8.93 4.60 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 0.81 0.00 0.00 0.99 0.00 0.00 12 H 8.73 5.05 0.00 3.14 3.19 0.00 5.67 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 13 Q 8.82 4.51 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 14 A 8.54 4.12 1.24 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 15 I 8.00 3.80 2.04 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.92 0.00 0.00 16 S 8.50 4.23 0.00 3.91 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 17 P 0.00 4.26 0.00 2.13 2.10 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 18 R 7.90 3.94 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 19 T 7.73 3.88 4.44 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 1.19 0.00 0.00 20 L 8.24 4.15 0.00 1.89 1.82 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.67 4.40 0.00 2.97 2.87 0.00 0.00 6.87 6.86 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 22 A 8.37 4.02 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 23 W 8.37 4.24 0.00 3.47 3.33 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 24 V 8.18 3.28 2.23 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 0.91 0.00 0.00 1.03 0.00 0.00 25 K 8.04 3.90 0.00 1.90 1.78 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.56 7.81 26 V 7.57 3.41 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 0.90 0.00 0.00 0.93 0.00 0.00 27 V 6.82 2.89 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 0.43 0.00 0.00 -0.52 0.00 0.00 28 E 7.72 3.85 0.00 2.05 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 2.28 2.31 0.00 29 E 7.94 4.15 0.00 1.89 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 2.25 2.33 0.00 30 K 8.02 4.33 0.00 1.72 1.67 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.32 7.81 31 A 8.00 3.20 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 32 F 7.05 4.40 0.00 1.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.76 0.00 4.07 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 34 P 0.00 4.28 0.00 2.20 2.21 0.00 3.64 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 2.16 2.26 0.00 35 E 8.20 4.18 0.00 2.06 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 2.41 2.45 0.00 36 V 7.97 3.90 1.97 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 1.08 0.00 0.00 1.04 0.00 0.00 37 I 7.99 3.83 2.05 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 1.64 1.03 0.97 0.00 0.00 38 P 0.00 4.36 0.00 2.30 2.35 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.10 0.00 39 M 7.89 4.11 0.00 2.28 2.51 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.93 0.00 40 F 8.35 3.69 0.00 2.95 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.06 0.00 4.03 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 42 A 7.84 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 43 L 7.97 4.32 0.00 1.37 1.61 1.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.31 4.46 0.00 3.50 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 45 E 8.20 3.98 0.00 1.91 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 0.00 2.35 2.21 0.00 46 G 8.36 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 0.00 0.00 0.00 47 A 7.63 4.17 1.19 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 0.00 0.00 48 T 8.79 4.29 4.43 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 1.25 0.00 0.00 49 P 0.00 4.55 0.00 2.25 2.17 0.00 3.88 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 2.07 2.13 0.00 50 Q 8.59 3.99 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 51 D 8.16 4.34 0.00 2.93 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 52 L 8.26 3.94 0.00 1.85 1.63 0.84 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.63 4.50 0.00 3.07 2.96 0.00 0.00 7.08 7.69 0.00 0.00 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 7.88 3.95 4.49 0.00 0.00 0.00 0.00 0.00 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 55 M 8.15 4.31 0.00 1.70 2.22 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 56 L 8.16 4.29 0.00 1.93 1.82 0.89 0.53 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 57 N 8.61 4.54 0.00 2.97 2.96 0.00 0.00 7.09 7.21 0.00 0.00 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 T 7.65 4.31 4.71 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 1.54 0.00 0.00 59 V 7.38 3.71 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 0.91 0.00 0.00 1.29 0.00 0.00 60 G 8.64 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 0.00 0.00 0.00 61 G 8.65 3.75 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 0.00 0.00 0.00 62 H 8.81 4.30 0.00 3.52 3.57 0.00 5.64 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 63 Q 8.32 4.09 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 64 A 8.04 4.06 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 65 A 7.86 3.95 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 66 M 8.12 3.95 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.96 0.00 67 Q 8.10 3.98 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 68 M 8.03 3.99 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 69 L 8.09 3.87 0.00 1.70 1.75 0.81 0.64 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 70 K 8.35 3.98 0.00 1.94 1.94 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.49 7.81 71 E 8.32 3.89 0.00 2.11 2.07 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 2.30 2.39 0.00 72 T 7.90 3.97 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 1.21 0.00 0.00 73 I 7.83 3.80 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.76 1.23 0.00 0.00 74 N 8.38 4.36 0.00 2.89 2.83 0.00 0.00 7.06 7.17 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 75 E 8.27 3.89 0.00 2.08 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 2.28 2.57 0.00 76 E 7.80 3.54 0.00 1.16 1.12 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 2.27 2.18 0.00 77 A 7.58 3.45 1.26 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 78 A 7.98 3.97 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 79 E 8.12 3.85 0.00 2.11 1.98 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 2.26 2.40 0.00 80 W 8.13 4.30 0.00 3.65 3.40 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 81 D 8.34 4.62 0.00 3.08 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 82 R 8.00 3.90 0.00 1.88 2.06 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 83 L 7.60 4.40 0.00 1.26 1.39 0.84 0.76 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 84 H 7.32 4.59 0.00 2.80 2.98 0.00 5.87 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 85 P 0.00 4.24 0.00 2.15 2.04 0.00 3.76 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 86 V 8.37 3.64 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 0.82 0.00 0.00 0.97 0.00 0.00 87 A 8.35 4.69 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 88 A 8.43 4.16 1.26 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 89 A 8.34 4.34 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 90 P 0.00 4.18 0.00 2.08 2.04 0.00 3.95 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 91 I 8.29 3.82 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.91 0.00 0.00 92 A 8.40 4.38 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 93 P 0.00 4.43 0.00 2.05 2.01 0.00 3.73 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 2.03 2.09 0.00 94 G 8.99 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 0.00 0.00 0.00 95 Q 7.79 4.82 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 96 M 8.10 4.77 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.89 0.00 97 R 8.66 4.15 0.00 2.08 2.04 0.00 3.20 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 98 E 8.69 4.23 0.00 2.06 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 2.38 2.29 0.00 99 P 0.00 4.26 0.00 1.20 0.49 0.00 3.59 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.04 0.00 100 R 8.91 4.75 0.00 1.92 2.07 0.00 3.43 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 101 G 9.52 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 0.00 0.00 0.00 102 S 8.05 4.26 0.00 4.06 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 0.00 103 D 7.79 4.30 0.00 2.71 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 0.00 104 I 7.12 3.23 1.36 0.00 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.27 -0.36 0.00 0.00 105 A 7.45 2.58 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 0.00 106 G 7.51 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 0.00 107 T 7.86 4.01 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 1.22 0.00 0.00 108 T 7.89 4.61 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 1.23 0.00 0.00 109 S 7.81 5.10 0.00 4.18 4.42 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 0.00 110 T 8.54 4.25 4.18 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 1.17 0.00 0.00 111 L 8.36 3.90 0.00 1.94 1.66 0.79 0.72 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 0.00 112 Q 7.89 3.87 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 113 E 7.95 3.44 0.00 1.84 1.12 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 1.80 2.04 0.00 114 Q 7.71 4.23 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 115 I 7.96 3.77 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.89 0.00 0.00 116 G 8.34 3.53 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 0.00 117 W 8.32 4.45 0.00 3.54 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 0.00 118 M 8.39 4.28 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 119 T 7.66 4.52 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 1.27 0.00 0.00 120 H 7.30 4.29 0.00 3.54 3.47 0.00 5.52 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 0.00 121 N 7.97 4.82 0.00 2.61 2.69 0.00 0.00 6.95 8.02 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 0.00 122 P 0.00 4.65 0.00 2.22 2.07 0.00 3.87 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 2.04 1.99 0.00 123 P 0.00 4.66 0.00 2.25 2.28 0.00 3.36 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 124 I 8.46 4.32 1.84 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 1.37 0.58 0.76 0.00 0.00 125 P 0.00 4.62 0.00 2.23 2.21 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 126 V 7.62 3.41 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 0.41 0.00 0.00 1.02 0.00 0.00 127 G 7.86 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 0.00 0.00 0.00 128 E 7.97 3.90 0.00 2.09 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 2.36 2.31 0.00 129 I 7.53 3.44 1.30 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.13 0.00 0.00 130 Y 7.54 3.43 0.00 2.74 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 0.00 131 K 8.12 3.75 0.00 1.84 1.91 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.53 7.81 132 R 7.95 3.98 0.00 2.09 2.10 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 133 W 7.98 4.42 0.00 3.64 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 0.00 134 I 7.93 3.61 1.82 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.21 0.35 0.00 0.00 135 I 7.85 3.70 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 1.58 0.75 0.94 0.00 0.00 136 L 8.03 4.12 0.00 1.96 1.74 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.11 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.33 3.89 0.00 1.73 1.73 0.47 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.05 4.41 0.00 2.98 2.90 0.00 0.00 7.03 7.23 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 0.00 140 K 7.84 4.10 0.00 1.76 1.93 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 141 I 7.85 3.87 1.75 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.40 0.92 0.00 0.00 142 V 8.29 4.27 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 1.24 0.00 0.00 1.05 0.00 0.00 143 R 7.65 4.23 0.00 1.77 2.01 0.00 3.17 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 144 M 8.38 4.28 0.00 1.68 2.57 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 145 Y 8.17 4.75 0.00 3.00 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 0.00 146 S 8.60 4.35 0.00 3.81 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