NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8265 8.3544 109.7210 44.9051 0.0000 173.4143 4 D 4.1377 8.6720 124.8233 53.7590 41.2044 175.8828 5 K 3.9984 9.4864 128.3486 58.9618 33.7926 178.2576 6 K 4.0751 8.1654 118.0147 58.4011 31.9521 179.2271 7 V 3.5809 7.9645 118.3627 66.2899 31.5194 177.8483 8 I 3.6642 7.4800 119.4549 64.4962 36.8952 178.5706 9 Q 3.9424 7.6956 118.0399 59.3583 28.6048 178.3083 10 H 4.1134 8.7215 117.4863 58.8274 28.7112 177.8158 11 L 4.0105 8.6554 121.0513 58.0477 41.6675 179.4109 12 N 4.6533 8.3403 115.7901 55.5207 38.4295 177.3414 13 K 4.0046 7.8888 121.6441 59.0987 32.2757 178.8951 14 I 3.6799 7.9197 120.1478 64.3515 37.0704 177.7857 15 L 3.9896 8.4153 121.7606 58.5149 41.6042 179.3397 16 G 3.6149 7.9453 104.9749 47.9716 0.0000 175.4542 17 N 4.3774 7.9454 118.4267 56.0673 38.4153 177.4789 18 E 4.0065 8.4680 120.2407 59.2924 29.5284 179.3020 19 L 3.9676 8.1094 119.1750 57.6878 41.5380 179.7324 20 I 3.7067 7.5501 119.5588 64.2652 37.0794 178.2373 21 A 3.1732 7.5362 121.1570 54.8530 18.0112 179.5525 22 I 3.6201 7.5678 118.1655 64.8291 37.2360 178.4836 23 N 4.3753 7.6788 115.6499 56.1249 38.4232 177.3549 24 Q 3.8551 8.5931 121.4540 59.5000 29.1397 178.1031 25 Y 4.7345 8.3785 119.3745 60.4094 37.9195 177.7918 26 F 3.8296 8.6619 121.9925 61.2107 39.4479 176.7172 27 L 3.9927 8.1781 119.7313 58.8058 41.8925 178.5308 28 H 3.7717 8.2039 115.8651 58.8770 28.5264 177.7728 29 S 4.3245 8.1442 114.7553 61.6709 62.2646 176.4493 30 R 3.8476 7.8794 120.7316 59.3064 29.6358 178.9791 31 M 3.4509 7.9711 118.7358 58.0944 31.8253 178.5757 32 W 4.5295 7.5110 118.8553 60.1225 29.2944 178.5570 33 N 4.3512 8.0770 116.2224 56.4789 37.8949 177.0010 34 D 4.3873 8.0686 118.2286 56.9730 41.3077 177.7166 35 W 4.8277 8.1054 117.8712 57.4604 29.2758 177.2115 36 G 4.0525 8.1199 106.9750 45.5878 0.0000 174.8506 37 L 4.6379 8.1734 122.2867 53.3724 40.3383 177.4353 38 K 4.1600 8.4763 121.1565 58.4310 32.4619 178.9913 39 R 3.8344 7.9647 119.7178 59.3960 29.9924 178.3275 40 L 3.8043 7.7898 118.4328 57.5903 41.4124 179.6147 41 G 3.7028 8.1093 105.3922 47.6528 0.0000 175.7449 42 A 3.9649 7.9961 123.1109 55.1805 18.5134 179.2591 43 H 3.9562 8.2136 116.8223 59.3968 29.9136 177.1317 44 E 4.0053 8.5527 121.4138 59.3762 29.6340 177.9044 45 Y 4.0996 8.1834 119.6655 61.2058 38.7041 178.0946 46 H 4.1033 8.0916 116.9955 58.5460 28.7812 177.5327 47 E 3.7976 8.0663 120.5509 59.3035 29.2432 179.3297 48 S 4.2621 8.0531 113.0670 61.5920 62.3943 176.2401 49 I 3.6054 7.3266 122.0721 64.3008 36.9019 177.8030 50 D 4.3087 8.0777 119.8027 57.7752 40.6468 179.1414 51 E 4.2516 8.0744 119.8874 59.1821 29.4064 179.1873 52 M 3.9904 8.1000 118.7088 58.4749 32.1407 178.7646 53 K 4.0913 7.7444 117.9647 58.9132 32.2305 179.1510 54 H 4.3654 7.9579 116.5620 58.6247 28.6394 177.5208 55 A 3.9806 8.3120 122.9174 55.0181 18.2185 179.0645 56 D 4.2519 8.2560 116.5785 57.4906 41.2597 178.3934 57 K 3.8848 7.8574 118.4701 59.6785 32.0827 179.0096 58 L 3.9969 8.1142 119.0154 57.9692 41.5788 179.6955 59 I 3.6969 7.7768 119.3881 64.6000 37.1328 178.2404 60 E 4.0050 8.2687 119.2675 59.4881 29.2416 179.5434 61 R 4.0091 8.2887 118.9209 59.4173 30.0877 178.6246 62 I 3.7167 7.9852 119.6377 64.5294 37.1935 178.3361 63 L 3.9844 8.0584 119.7424 57.7073 41.1888 179.3944 64 F 4.3338 8.1376 119.5499 61.3853 39.5047 176.7556 65 L 3.8557 7.7950 114.0331 54.5434 41.1861 176.8211 66 E 3.6763 7.7762 117.3481 57.3082 27.3108 174.8985 67 G 3.8801 8.0715 108.8479 44.4725 0.0000 173.5693 68 L 4.5440 8.0268 119.0213 52.0775 42.4676 175.1087 69 P 4.3719 0.0000 0.0000 62.3543 31.7374 176.0130 70 N 4.6267 9.2666 123.3020 52.5062 37.9638 173.8643 71 L 4.5166 8.1928 123.7959 54.5143 42.0818 177.7242 72 Q 4.0378 8.0482 121.5878 57.6369 29.2597 175.3851 73 D 4.6586 7.9421 117.6094 52.4414 41.5091 175.2592 74 L 4.5477 8.3018 127.1052 52.8614 43.5536 177.3576 75 G 3.8295 8.4059 119.1247 45.2747 0.0000 172.0599 76 K 4.3205 8.3969 124.8985 54.4554 32.7357 177.1129 77 L 4.0982 8.4107 127.2201 54.9852 42.1358 178.0010 78 L 4.4058 8.3140 124.3074 53.3401 40.4468 174.1518 79 I 4.0695 7.7434 120.5703 59.5930 37.1372 176.3397 80 G 3.9156 8.7374 114.9473 45.5589 0.0000 171.8896 81 E 4.8015 8.5347 115.3698 55.5237 30.6703 175.8851 82 N 5.0626 7.8475 116.6180 50.7851 41.4706 174.8057 83 T 4.4916 8.8607 118.0061 67.5209 68.7030 176.1573 84 Q 3.9701 8.1714 120.2984 59.2704 29.1774 178.0821 85 E 3.9665 9.3184 119.8484 59.7056 29.6732 178.8858 86 M 3.8430 8.7400 119.2845 58.6965 31.9742 178.9763 87 L 4.1592 8.3799 118.8838 58.0000 41.8429 179.4584 88 Q 4.0350 8.0390 119.2465 59.0911 28.8990 178.1316 89 C 4.1914 8.7050 118.3360 62.9323 28.1832 175.4861 90 D 4.6978 8.1187 120.1474 57.6630 40.4711 178.8138 91 L 3.9702 8.3994 120.9631 58.2416 42.0348 178.8720 92 N 4.3675 8.3258 116.5005 56.2442 38.6356 177.1413 93 L 4.0392 8.4913 122.1653 58.1406 42.0897 179.0191 94 E 4.0853 8.5505 118.9110 59.4074 29.3971 179.1342 95 L 4.1833 8.1424 119.0138 57.4568 41.6296 179.6870 96 K 3.9061 7.9971 119.0375 59.6022 32.2007 178.8604 97 A 4.0488 7.9612 120.7955 55.2472 18.3624 179.4936 98 T 3.8208 8.4057 114.8683 66.7743 68.5512 176.4074 99 K 3.9160 7.8067 121.0599 59.8032 32.1768 178.5632 100 D 4.3921 8.0480 118.9005 57.2122 40.7073 178.5723 101 L 3.9855 8.1799 119.7542 58.0730 41.6856 179.8404 102 R 3.9447 7.8855 117.3559 59.3249 29.9877 179.0543 103 E 3.9506 8.1053 117.6857 59.2182 29.4010 179.0813 104 A 3.6549 8.2016 121.0098 55.2708 18.4654 179.7348 105 I 3.6111 7.8558 118.1489 64.4041 37.3028 178.4609 106 V 3.5595 7.7131 119.1976 66.6846 31.3565 177.6277 107 H 4.0840 8.0431 117.4798 59.4039 29.6076 176.9741 108 C 4.0783 8.3935 119.0185 62.7731 27.5887 175.7393 109 E 3.9432 8.1288 120.9270 59.0561 28.9664 178.5711 110 Q 4.0623 7.6599 118.7524 57.9515 29.0992 177.2765 111 V 4.0428 7.0999 111.2373 60.3745 32.6561 175.1763 112 H 2.9951 7.1164 112.1425 56.7912 27.0071 176.3328 113 D 4.5515 7.5381 119.4311 53.4949 39.0559 174.6830 114 Y 4.3520 7.6293 121.7358 59.8944 38.5255 177.3148 115 V 3.6730 7.7947 119.2450 66.1265 31.8064 178.0484 116 S 4.1868 8.1091 115.0980 61.4445 62.5118 176.7262 117 R 3.8612 7.9961 121.3932 59.4818 29.8946 177.9266 118 D 4.3473 8.2562 117.8550 57.3061 41.1124 178.1236 119 L 3.9338 7.9007 120.4889 58.2451 42.1148 178.9127 120 L 3.9754 7.8973 118.9758 57.6501 41.5099 179.4628 121 K 3.9563 8.3442 119.9350 59.4846 31.7476 178.6110 122 D 4.3197 8.1300 119.1194 57.5291 40.8195 178.7058 123 I 3.5134 7.8273 120.2894 64.3855 37.0952 178.2403 124 L 3.9808 8.3197 121.4521 58.1068 42.0167 178.6068 125 E 3.9651 8.2627 119.3767 59.1077 29.5123 178.7506 126 S 4.2181 7.7349 112.8061 61.1783 62.5452 175.9479 127 E 4.1920 8.3813 121.3022 59.4375 29.1393 179.2179 128 E 4.0199 8.4384 118.8159 59.4101 29.5252 179.0988 129 E 4.0354 8.1962 118.3638 59.7058 29.5092 178.9693 130 H 4.4101 8.3912 118.3102 59.2319 29.8548 177.3747 131 I 3.7020 8.0696 121.8321 64.3881 36.9734 177.6759 132 D 4.3416 8.2658 118.8431 57.6247 40.9473 177.6862 133 Y 4.1170 8.1981 119.7560 60.7064 38.6896 178.0936 134 L 3.7161 8.0353 119.6200 57.8467 41.8119 179.2758 135 E 3.8880 8.3182 118.5570 59.8375 29.3755 179.6002 136 T 3.8223 7.8025 115.5385 66.6401 68.5854 176.5602 137 Q 3.8128 7.8113 119.8696 58.9967 28.6560 178.8577 138 L 3.8766 7.9822 120.2186 57.7833 41.5595 179.9496 139 G 3.5594 8.5027 105.8098 47.8553 0.0000 175.8154 140 L 4.0179 8.0551 121.4524 57.2561 41.5230 179.6828 141 I 3.5682 7.2570 119.5904 64.2592 36.7533 178.3137 142 Q 3.9490 7.4715 117.3311 59.1261 28.6801 178.9727 143 K 4.1524 8.1645 118.1458 58.5538 32.1848 178.8451 144 V 4.3042 8.4814 110.0719 59.6478 33.5309 176.9900 145 G 4.1027 7.8454 104.7460 45.8144 0.0000 174.4757 146 L 3.9441 8.4756 121.9784 58.1093 42.1512 179.1918 147 E 4.0012 8.2099 117.9817 59.5459 29.4418 178.9098 148 N 4.2905 8.1490 115.7443 56.7108 38.5314 176.3893 149 Y 4.0777 7.9517 119.3916 60.9594 39.0206 178.1611 150 L 4.1743 8.2272 119.6105 57.4978 42.0139 178.6558 151 Q 3.9295 8.2713 119.8229 59.7020 28.6975 178.9767 152 S 4.2679 7.9264 113.4469 60.2504 63.0611 174.5837 153 H 4.6571 7.6499 118.6849 55.7385 29.2737 176.4939 154 M 4.0828 8.0461 121.2998 58.4979 31.8955 176.4957 155 H 5.1741 7.6692 113.1323 54.2776 31.2620 174.8419 156 E 4.2354 8.5321 119.2220 56.6645 29.5550 176.3071 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 G 8.35 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 0.00 0.00 0.00 4 D 8.67 4.14 0.00 2.82 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 5 K 9.49 4.00 0.00 1.81 1.77 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 6 K 8.17 4.08 0.00 1.91 1.61 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 7 V 7.96 3.58 2.21 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 1.14 0.00 0.00 1.05 0.00 0.00 8 I 7.48 3.66 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.50 0.90 0.00 0.00 9 Q 7.70 3.94 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 10 H 8.72 4.11 0.00 3.24 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.66 4.01 0.00 1.83 1.73 0.95 0.93 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 12 N 8.34 4.65 0.00 2.96 2.86 0.00 0.00 6.73 6.53 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 13 K 7.89 4.00 0.00 1.94 1.93 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 7.92 3.68 2.01 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 1.74 0.72 0.92 0.00 0.00 15 L 8.42 3.99 0.00 1.78 1.86 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.95 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 17 N 7.95 4.38 0.00 3.02 2.88 0.00 0.00 7.05 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.47 4.01 0.00 1.98 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 2.36 2.54 0.00 19 L 8.11 3.97 0.00 1.81 1.68 0.90 0.63 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 20 I 7.55 3.71 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.83 0.00 0.00 21 A 7.54 3.17 0.96 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 22 I 7.57 3.62 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.89 0.00 0.00 23 N 7.68 4.38 0.00 2.92 2.83 0.00 0.00 6.73 7.68 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 24 Q 8.59 3.86 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.28 0.00 25 Y 8.38 4.73 0.00 3.06 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 26 F 8.66 3.83 0.00 3.32 3.11 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 27 L 8.18 3.99 0.00 1.89 1.67 0.89 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 28 H 8.20 3.77 0.00 3.50 3.02 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.14 4.32 0.00 4.03 3.91 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 0.00 0.00 0.00 30 R 7.88 3.85 0.00 2.01 1.89 0.00 3.03 0.00 0.00 2.76 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 31 M 7.97 3.45 0.00 0.74 1.55 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.17 0.00 32 W 7.51 4.53 0.00 3.75 3.35 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 33 N 8.08 4.35 0.00 2.92 2.83 0.00 0.00 6.57 8.18 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 34 D 8.07 4.39 0.00 2.55 2.70 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 35 W 8.11 4.83 0.00 3.54 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 36 G 8.12 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 37 L 8.17 4.64 0.00 2.13 1.65 1.32 0.97 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 38 K 8.48 4.16 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.96 3.83 0.00 2.00 1.82 0.00 2.92 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 40 L 7.79 3.80 0.00 1.10 0.13 0.37 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.11 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 0.00 0.00 0.00 42 A 8.00 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 3.96 0.00 3.25 3.25 0.00 5.79 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 44 E 8.55 4.01 0.00 2.60 2.25 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 2.77 2.72 0.00 45 Y 8.18 4.10 0.00 3.02 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 46 H 8.09 4.10 0.00 3.23 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.07 3.80 0.00 1.92 1.62 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 2.29 2.14 0.00 48 S 8.05 4.26 0.00 4.10 4.03 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 49 I 7.33 3.61 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.52 0.84 0.00 0.00 50 D 8.08 4.31 0.00 2.90 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 51 E 8.07 4.25 0.00 2.15 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 2.80 2.54 0.00 52 M 8.10 3.99 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.57 0.00 53 K 7.74 4.09 0.00 1.85 1.84 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 54 H 7.96 4.37 0.00 3.41 3.33 0.00 5.64 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 55 A 8.31 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.26 4.25 0.00 2.92 2.83 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 57 K 7.86 3.88 0.00 2.01 1.88 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.68 7.81 58 L 8.11 4.00 0.00 1.86 1.75 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.78 3.70 2.04 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 1.53 1.02 0.92 0.00 0.00 60 E 8.27 4.01 0.00 2.12 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 2.35 2.64 0.00 61 R 8.29 4.01 0.00 2.04 2.15 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 62 I 7.99 3.72 2.05 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 1.54 0.58 0.95 0.00 0.00 63 L 8.06 3.98 0.00 1.89 1.78 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.14 4.33 0.00 2.98 3.35 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 65 L 7.79 3.86 0.00 1.75 1.62 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.78 3.68 0.00 2.04 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 2.18 2.14 0.00 67 G 8.07 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 0.00 0.00 0.00 68 L 8.03 4.54 0.00 1.62 1.61 0.91 0.99 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 69 P 0.00 4.37 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.27 4.63 0.00 2.60 2.82 0.00 0.00 7.20 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.19 4.52 0.00 1.63 1.65 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.05 4.04 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 D 7.94 4.66 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.30 4.55 0.00 1.54 1.54 0.88 1.07 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 75 G 8.41 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 0.00 0.00 0.00 76 K 8.40 4.32 0.00 1.69 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.50 7.81 77 L 8.41 4.10 0.00 1.63 1.55 0.87 0.99 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 78 L 8.31 4.41 0.00 1.66 1.65 1.02 0.89 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 79 I 7.74 4.07 1.88 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 1.33 0.73 0.91 0.00 0.00 80 G 8.74 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 81 E 8.53 4.80 0.00 2.07 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 0.00 2.47 2.22 0.00 82 N 7.85 5.06 0.00 2.91 2.85 0.00 0.00 6.18 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 83 T 8.86 4.49 4.47 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 1.48 0.00 0.00 84 Q 8.17 3.97 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 85 E 9.32 3.97 0.00 2.38 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 2.35 2.45 0.00 86 M 8.74 3.84 0.00 1.47 2.33 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.09 0.00 87 L 8.38 4.16 0.00 1.87 1.73 0.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.04 4.03 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.70 4.19 0.00 3.31 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 90 D 8.12 4.70 0.00 3.03 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 91 L 8.40 3.97 0.00 1.83 1.90 0.93 0.54 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 92 N 8.33 4.37 0.00 2.99 2.88 0.00 0.00 6.63 6.35 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 93 L 8.49 4.04 0.00 1.85 1.96 0.92 0.86 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 94 E 8.55 4.09 0.00 2.21 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 2.68 2.51 0.00 95 L 8.14 4.18 0.00 1.72 1.75 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.00 3.91 0.00 1.89 2.01 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 7.96 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 3.82 4.57 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 1.27 0.00 0.00 99 K 7.81 3.92 0.00 1.94 2.05 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 100 D 8.05 4.39 0.00 2.78 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 0.00 101 L 8.18 3.99 0.00 2.05 1.74 0.93 1.25 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 0.00 102 R 7.89 3.94 0.00 2.07 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 103 E 8.11 3.95 0.00 2.18 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 0.00 2.35 2.35 0.00 104 A 8.20 3.65 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 0.00 105 I 7.86 3.61 2.00 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 1.42 0.87 0.93 0.00 0.00 106 V 7.71 3.56 2.31 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 0.99 0.00 0.00 0.96 0.00 0.00 107 H 8.04 4.08 0.00 3.18 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.39 4.08 0.00 3.12 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 0.00 109 E 8.13 3.94 0.00 2.19 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 2.36 2.41 0.00 110 Q 7.66 4.06 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.14 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 111 V 7.10 4.04 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 0.63 0.00 0.00 0.86 0.00 0.00 112 H 7.12 3.00 0.00 3.17 3.17 0.00 5.66 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.54 4.55 0.00 2.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.63 4.35 0.00 3.09 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 0.00 115 V 7.79 3.67 2.16 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 1.09 0.00 0.00 1.01 0.00 0.00 116 S 8.11 4.19 0.00 4.17 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 0.00 117 R 8.00 3.86 0.00 2.03 2.19 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.26 4.35 0.00 3.10 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 0.00 119 L 7.90 3.93 0.00 1.99 1.80 0.94 0.66 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 0.00 120 L 7.90 3.98 0.00 1.92 1.71 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.34 3.96 0.00 1.99 2.00 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.13 4.32 0.00 2.92 2.70 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 0.00 123 I 7.83 3.51 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.77 0.00 0.00 124 L 8.32 3.98 0.00 1.80 1.93 0.94 0.74 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 0.00 125 E 8.26 3.97 0.00 2.22 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 2.33 2.34 0.00 126 S 7.73 4.22 0.00 4.00 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 0.00 127 E 8.38 4.19 0.00 2.09 2.37 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 2.65 2.55 0.00 128 E 8.44 4.02 0.00 2.29 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 2.36 2.51 0.00 129 E 8.20 4.04 0.00 2.27 2.05 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 2.37 2.36 0.00 130 H 8.39 4.41 0.00 3.26 3.53 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.07 3.70 2.06 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 1.43 0.58 0.93 0.00 0.00 132 D 8.27 4.34 0.00 2.93 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 0.00 133 Y 8.20 4.12 0.00 3.16 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 0.00 134 L 8.04 3.72 0.00 2.07 1.65 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.32 3.89 0.00 1.97 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 0.00 2.31 2.46 0.00 136 T 7.80 3.82 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 1.20 0.00 0.00 137 Q 7.81 3.81 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 138 L 7.98 3.88 0.00 1.81 1.62 0.84 1.10 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 0.00 139 G 8.50 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.02 0.00 1.88 1.88 1.05 0.92 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 0.00 141 I 7.26 3.57 1.81 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.79 0.00 0.00 142 Q 7.47 3.95 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 143 K 8.16 4.15 0.00 1.72 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 144 V 8.48 4.30 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 0.84 0.00 0.00 1.11 0.00 0.00 145 G 7.85 4.10 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 0.00 146 L 8.48 3.94 0.00 1.76 1.68 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.21 4.00 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 2.41 2.42 0.00 148 N 8.15 4.29 0.00 3.15 2.90 0.00 0.00 6.70 7.48 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 0.00 149 Y 7.95 4.08 0.00 3.00 3.16 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 0.00 150 L 8.23 4.17 0.00 1.95 1.74 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.27 3.93 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 152 S 7.93 4.27 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.65 4.66 0.00 3.00 3.07 0.00 5.81 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 0.00 154 M 8.05 4.08 0.00 1.88 2.07 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 2.49 0.00 155 H 7.67 5.17 0.00 3.09 3.16 0.00 5.70 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 0.00 156 E 8.53 4.24 0.00 1.93 1.83 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 2.22 2.27 0.00