NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.2043 8.3044 120.3470 55.8224 33.6384 173.9415 5 Q 2.7501 9.0020 117.4928 57.1369 28.8538 171.7130 6 M 3.2642 9.5416 128.4080 55.6553 30.5760 178.8727 7 K 4.4943 7.5074 116.5402 55.8432 34.3269 175.8962 8 G 3.8981 8.4265 111.9968 42.9381 0.0000 170.1351 9 K 4.6578 7.9315 132.2301 56.7583 30.0462 175.8810 10 G 4.0934 7.2485 107.5341 43.3913 0.0000 173.0455 11 K 4.3600 8.1421 119.3748 56.4148 34.8647 174.3414 12 G 3.8056 8.3958 112.7777 44.8229 0.0000 172.5546 13 I 4.3557 8.0889 123.1190 59.3390 39.2273 175.3241 14 S 4.3531 8.4501 121.8772 57.5347 63.5057 172.3058 15 G 4.0392 8.8663 107.6671 43.6560 0.0000 170.0078 16 S 4.0079 7.8480 109.6167 56.8986 62.5577 172.7830 17 A 4.4774 7.9265 131.7127 49.5647 20.0453 175.2440 18 L 3.8026 8.5987 121.2894 55.3363 42.0854 176.4370 19 P 4.4034 0.0000 0.0000 62.3714 31.1448 174.9849 20 F 3.5032 8.4207 119.2651 61.0005 39.4610 174.2716 21 K 4.1022 8.4471 126.6095 56.6051 31.7744 177.7143 22 R 3.7786 8.5212 123.4188 57.6113 30.2045 177.4569 23 R 4.2736 7.1061 114.7968 54.9013 31.0604 176.0595 24 S 4.4641 8.1788 113.7442 56.8735 63.6716 172.5498 25 P 4.0198 0.0000 0.0000 62.5614 30.6723 175.4788 26 K 3.7880 7.6338 118.4424 57.4712 32.4759 179.9003 27 W 4.3968 7.3746 121.4531 58.9251 29.5434 176.4501 28 L 4.4627 6.9758 120.9607 53.8983 42.4682 175.2865 29 H 4.7916 8.1946 121.5030 54.7374 31.3479 173.4317 30 M 4.3487 8.6103 119.3150 54.5892 33.9585 174.1819 31 T 3.8899 8.2566 120.4441 63.2407 69.7397 173.3722 32 P 4.1927 0.0000 0.0000 66.3122 31.2416 178.3157 33 S 4.0987 8.2508 114.1341 61.5133 61.9489 176.2969 34 T 3.8548 8.0208 119.4038 66.4027 68.1639 176.6095 35 V 3.5775 7.6991 119.1800 66.1461 31.7670 177.8185 36 V 3.9328 7.7073 119.2644 65.4500 30.9711 177.8454 37 D 4.2981 8.0364 118.2044 57.2496 40.7145 178.2817 38 L 4.1619 7.5207 118.8041 57.9812 41.6962 179.5562 39 S 4.2166 8.7496 114.4109 61.9778 62.7568 176.9209 40 V 3.6280 7.9793 122.6075 64.8139 31.1325 178.0775 41 K 3.9075 8.9760 119.6296 59.4380 31.7468 178.9106 42 L 3.9520 8.3757 118.4241 57.9904 41.8469 179.2898 43 A 4.1175 8.3715 120.6954 55.1878 18.1145 179.5071 44 K 3.7350 8.1646 116.0310 59.8705 32.3032 179.2816 45 K 3.9878 7.5601 116.6538 57.5215 33.2024 177.2534 46 G 4.1406 8.8241 109.1117 46.5094 0.0000 172.9412 47 L 4.8333 7.1024 116.3008 52.6960 45.8004 177.7046 48 T 4.2299 8.4789 118.3885 62.3902 70.4384 174.6653 49 P 3.9098 0.0000 0.0000 66.0911 30.8508 178.9965 50 S 4.1251 8.0899 114.4780 61.7946 62.9721 176.4617 51 Q 4.2301 7.9407 120.0075 58.5415 28.6423 178.2944 52 I 3.7970 8.6796 121.9890 64.5400 37.3847 178.5815 53 G 3.7211 8.0299 106.2541 47.8522 0.0000 175.7742 54 V 3.7014 7.2540 120.5442 65.7942 31.4298 178.2376 55 I 3.6479 7.6301 119.0402 64.4304 37.1264 178.2994 56 L 3.9439 7.9379 118.9333 56.5773 41.1392 178.7250 57 R 4.2092 7.0686 116.6353 58.2761 31.1117 177.4224 58 D 4.4820 8.0347 117.3610 57.6465 41.0035 177.1042 59 Q 3.9817 8.7992 118.4019 57.4612 28.7638 176.8618 60 H 4.5998 8.4273 121.7794 55.7803 28.5465 177.3965 61 G 3.9565 6.5296 117.3037 47.0958 0.0000 174.0931 62 I 4.3510 8.2960 119.5484 58.6627 37.4387 172.4941 63 P 4.1825 0.0000 0.0000 62.9586 30.7968 173.8374 64 Q 3.4487 8.6727 130.0029 55.7044 26.5055 173.5941 65 V 3.6897 8.0845 124.3800 65.5962 31.6774 177.2592 66 R 4.7555 7.9378 119.4108 59.1795 29.7826 178.4101 67 F 4.1146 8.0086 115.3088 60.0274 38.8858 176.8903 68 L 4.7686 7.6666 119.9770 57.0382 42.3604 178.3060 69 T 4.2045 8.1149 114.9799 65.9569 68.7619 176.5838 70 G 4.0481 8.9482 106.8402 45.2700 0.0000 172.9533 71 Q 4.5335 7.7523 116.9286 53.7163 32.9051 174.3121 72 K 4.5889 8.6362 121.5911 55.7688 33.0868 177.3631 73 I 3.5061 8.0862 123.8759 64.8219 37.0892 177.5424 74 L 3.9363 8.0516 120.1500 58.6615 41.7480 179.7023 75 R 3.8661 8.2163 117.6217 59.2811 29.8442 178.6785 76 I 3.6804 7.7656 117.5814 64.6052 37.4566 177.6923 77 L 4.1124 8.2322 119.7043 57.9621 41.3510 179.6428 78 K 3.9060 8.5051 119.6132 59.5412 31.8578 178.9159 79 K 4.0206 8.2728 118.1654 58.5774 32.1255 177.6579 80 N 4.9130 8.1104 116.4588 53.0383 39.7482 178.2001 81 G 3.6693 7.7191 109.8537 47.1702 0.0000 174.7875 82 C 4.2735 8.4434 121.4393 58.4653 30.5304 173.5474 83 A 4.4604 7.4106 122.7347 50.2093 20.4512 177.2654 84 P 4.2232 0.0000 0.0000 67.3268 29.0254 179.9810 85 Q 2.5200 6.5795 115.4948 55.4732 32.7490 173.9471 86 L 4.2468 7.5800 122.0628 52.6208 44.0739 175.2260 87 P 4.2610 0.0000 0.0000 63.1782 32.7577 176.5142 88 E 3.9059 9.1931 119.8827 61.3369 29.4847 179.6610 89 D 4.0334 8.1897 112.0022 56.5889 41.3075 178.7225 90 L 4.0155 8.6934 122.4069 59.3014 42.6010 177.8913 91 Y 3.9091 7.9607 117.3294 61.2675 38.8461 178.0719 92 F 4.4040 8.8085 118.1211 60.6635 39.2558 177.4047 93 L 3.9729 7.7881 118.2026 58.3789 41.4557 179.9021 94 I 3.4383 7.8131 119.2864 64.1807 36.8226 178.0443 95 K 3.7357 7.8631 120.8580 59.3846 32.0238 178.8783 96 K 3.9466 7.9698 118.1313 59.9315 32.1497 178.3931 97 A 4.0145 8.5217 122.2856 55.0162 18.1343 179.4960 98 L 3.9458 8.0689 118.5093 58.5954 42.3078 178.9784 99 S 4.1479 8.2857 115.5045 61.9798 62.7649 176.9422 100 I 3.6869 8.3031 122.3781 64.5674 37.0022 178.3047 101 R 3.9547 7.5665 117.4700 59.4976 29.6256 179.1631 102 K 3.9359 8.0517 117.7935 59.8286 31.8880 178.8059 103 H 4.1253 7.9898 116.9537 59.3133 30.1143 176.7365 104 L 4.0045 8.4351 121.1031 57.9040 41.1981 178.9456 105 E 3.9146 7.8162 117.1322 59.8631 29.6376 179.5031 106 K 4.2385 7.5293 116.1602 57.7342 32.8825 176.9502 107 N 5.0242 7.8343 117.6105 51.9822 39.2501 175.9560 108 R 3.9107 8.1754 117.8869 58.1088 30.6630 175.8052 109 K 4.3005 8.2907 116.6300 57.5571 33.6634 175.6779 110 D 4.5184 7.8106 117.7268 54.6597 40.2541 176.3333 111 K 4.0246 8.3647 126.2268 59.1379 32.3963 178.1752 112 D 4.4361 8.2530 117.8522 57.6567 40.9721 178.4848 113 S 4.2671 8.3743 115.2018 61.0505 62.8387 176.5835 114 K 3.9431 7.7543 121.3943 59.6648 31.8241 178.3376 115 Y 4.1952 8.0475 119.5152 61.0520 38.7249 178.2545 116 R 3.7467 8.2400 118.7190 59.3486 30.2245 178.7578 117 L 3.9493 8.1300 119.8717 58.2533 42.1517 178.8193 118 I 3.7100 7.6541 119.7161 64.5523 37.0246 178.4159 119 L 3.8664 7.5149 119.1263 57.7984 41.3662 179.7001 120 V 3.5981 7.7188 118.1886 66.0238 31.2008 177.9297 121 E 4.1104 8.6982 117.9519 59.0131 29.5250 178.8638 122 S 4.3133 7.8550 112.9947 61.4052 62.4366 176.2938 123 R 3.8998 7.9922 120.6420 59.5844 29.8927 178.9922 124 I 3.7494 7.4968 119.3220 64.9190 37.1095 178.1245 125 H 4.4437 8.0615 116.2264 58.4247 28.3743 177.9370 126 R 4.0931 8.3634 120.8102 58.8117 29.8313 178.9122 127 L 3.9871 7.7675 118.5017 57.7339 41.7615 179.1746 128 S 4.4529 8.2714 115.1436 61.9137 62.6298 176.8065 129 R 4.0086 7.6935 118.6778 60.0945 30.1960 178.0044 130 Y 4.1717 7.8589 119.3317 60.7332 38.8471 177.2762 131 Y 4.3678 9.2987 118.6096 61.1039 38.2179 179.3032 132 K 4.2835 8.4882 119.7589 59.3388 32.0619 179.2634 133 L 4.1755 7.8505 117.8749 56.6037 41.4979 177.9108 134 N 4.7270 7.6470 115.1891 53.2874 40.2247 174.7344 135 Q 3.3410 7.4033 116.3346 57.5647 26.9132 174.8854 136 K 4.5039 8.0510 113.4727 54.7136 33.0784 176.6248 137 L 4.7966 7.9169 125.4713 53.8921 44.7608 171.1525 138 P 4.1973 0.0000 0.0000 62.7602 31.3955 175.1105 139 P 4.3241 0.0000 0.0000 65.6860 31.3607 177.3724 140 K 4.3604 8.0388 113.5578 56.8367 32.4778 176.6531 141 W 4.7301 8.1206 130.1523 57.9826 31.0834 176.0164 142 K 3.8849 7.1333 123.6800 55.6451 34.7259 174.6126 143 Y 4.1573 7.9989 126.5257 56.2378 39.1883 173.7311 144 N 4.2665 8.2451 122.2725 52.8310 39.7136 174.6113 145 A 4.6159 7.0507 129.4978 51.4519 20.7510 178.0582 146 Q 4.4126 8.9505 117.6059 58.1394 28.6327 178.6537 147 T 3.9785 7.8759 115.6934 66.1529 68.6339 176.3686 148 A 4.2748 7.9978 122.6186 55.3094 18.6650 179.7692 149 S 4.1435 8.2239 112.2324 61.0976 62.5574 176.4230 150 A 4.0448 8.1112 125.0783 55.1770 17.9208 179.4395 151 L 3.8257 7.6923 116.3798 57.3729 41.8102 179.4237 152 V 3.7622 7.2917 117.9891 65.7160 31.4811 175.7026 153 Q 4.1832 7.5286 121.2716 56.0892 28.5998 175.6148 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 4 M 8.30 4.20 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 5 Q 9.00 2.75 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 6 M 9.54 3.26 0.00 2.09 2.03 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 2.50 2.51 0.00 7 K 7.51 4.49 0.00 2.03 1.88 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.45 7.81 8 G 8.43 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 9 K 7.93 4.66 0.00 1.87 2.03 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.17 7.81 10 G 7.25 4.09 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 0.00 0.00 0.00 11 K 8.14 4.36 0.00 1.84 1.77 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 1.24 7.81 12 G 8.40 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 13 I 8.09 4.36 1.87 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 1.30 0.58 0.91 0.00 0.00 14 S 8.45 4.35 0.00 3.81 3.80 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 0.00 0.00 0.00 15 G 8.87 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.85 4.01 0.00 3.91 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.93 4.48 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 18 L 8.60 3.80 0.00 1.59 1.44 0.89 1.00 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 19 P 0.00 4.40 0.00 2.23 2.08 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 20 F 8.42 3.50 0.00 3.10 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 21 K 8.45 4.10 0.00 1.98 1.93 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.69 7.81 22 R 8.52 3.78 0.00 1.60 1.46 0.00 3.04 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 23 R 7.11 4.27 0.00 1.75 1.92 0.00 3.02 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 24 S 8.18 4.46 0.00 3.84 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 25 P 0.00 4.02 0.00 0.49 1.20 0.00 3.60 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 26 K 7.63 3.79 0.00 1.81 1.73 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.34 7.81 27 W 7.37 4.40 0.00 3.36 3.38 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 28 L 6.98 4.46 0.00 1.63 1.30 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.19 4.79 0.00 3.17 3.17 0.00 5.79 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 30 M 8.61 4.35 0.00 1.96 1.98 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 2.46 2.49 0.00 31 T 8.26 3.89 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 32 P 0.00 4.19 0.00 2.26 2.33 0.00 3.73 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 2.08 2.07 0.00 33 S 8.25 4.10 0.00 4.06 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 0.00 34 T 8.02 3.85 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 1.22 0.00 0.00 35 V 7.70 3.58 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 1.06 0.00 0.00 0.95 0.00 0.00 36 V 7.71 3.93 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 0.84 0.00 0.00 1.00 0.00 0.00 37 D 8.04 4.30 0.00 2.98 2.69 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 0.00 0.00 0.00 0.00 38 L 7.52 4.16 0.00 1.93 1.76 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.75 4.22 0.00 4.01 4.15 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 40 V 7.98 3.63 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 1.01 0.00 0.00 1.04 0.00 0.00 41 K 8.98 3.91 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 42 L 8.38 3.95 0.00 1.81 1.76 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.37 4.12 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 44 K 8.16 3.73 0.00 1.89 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 45 K 7.56 3.99 0.00 1.93 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.47 7.81 46 G 8.82 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 0.00 0.00 0.00 47 L 7.10 4.83 0.00 1.59 1.54 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.48 4.23 4.41 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 1.34 0.00 0.00 49 P 0.00 3.91 0.00 2.27 2.32 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 50 S 8.09 4.13 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.94 4.23 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 52 I 8.68 3.80 1.88 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 1.46 0.78 0.92 0.00 0.00 53 G 8.03 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 0.00 0.00 0.00 54 V 7.25 3.70 2.27 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 1.12 0.00 0.00 1.01 0.00 0.00 55 I 7.63 3.65 2.05 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 1.50 0.72 0.85 0.00 0.00 56 L 7.94 3.94 0.00 1.86 1.76 0.95 0.96 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 57 R 7.07 4.21 0.00 1.89 2.07 0.00 3.42 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 58 D 8.03 4.48 0.00 2.72 2.68 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 59 Q 8.80 3.98 0.00 1.64 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 60 H 8.43 4.60 0.00 3.19 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 6.53 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 62 I 8.30 4.35 2.08 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 1.42 1.09 0.95 0.00 0.00 63 P 0.00 4.18 0.00 2.16 2.17 0.00 3.97 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 1.98 2.09 0.00 64 Q 8.67 3.45 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.93 0.00 0.00 0.00 0.00 0.00 1.57 2.34 0.00 65 V 8.08 3.69 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 1.08 0.00 0.00 0.95 0.00 0.00 66 R 7.94 4.76 0.00 1.99 2.05 0.00 3.34 0.00 0.00 3.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 67 F 8.01 4.11 0.00 3.11 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 68 L 7.67 4.77 0.00 1.67 1.85 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.11 4.20 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 70 G 8.95 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 71 Q 7.75 4.53 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 72 K 8.64 4.59 0.00 1.84 1.74 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 73 I 8.09 3.51 1.89 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 0.64 0.92 0.00 0.00 74 L 8.05 3.94 0.00 1.69 1.71 0.90 0.91 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 75 R 8.22 3.87 0.00 2.13 1.96 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 76 I 7.77 3.68 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 1.64 0.61 0.91 0.00 0.00 77 L 8.23 4.11 0.00 1.80 1.93 0.91 0.46 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 78 K 8.51 3.91 0.00 1.85 1.79 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 79 K 8.27 4.02 0.00 1.92 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.63 7.81 80 N 8.11 4.91 0.00 2.74 2.79 0.00 0.00 6.78 7.96 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 81 G 7.72 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 0.00 0.00 0.00 82 C 8.44 4.27 0.00 2.89 2.87 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 83 A 7.41 4.46 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 84 P 0.00 4.22 0.00 1.94 1.90 0.00 3.61 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 1.96 1.99 0.00 85 Q 6.58 2.52 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 86 L 7.58 4.25 0.00 1.45 1.50 0.66 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.26 0.00 2.29 1.89 0.00 3.49 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.91 0.00 88 E 9.19 3.91 0.00 2.30 2.43 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 2.53 2.52 0.00 89 D 8.19 4.03 0.00 3.13 2.74 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 0.00 0.00 0.00 0.00 90 L 8.69 4.02 0.00 2.03 1.78 1.11 1.04 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 91 Y 7.96 3.91 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.81 4.40 0.00 3.20 3.02 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 93 L 7.79 3.97 0.00 1.82 1.69 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.81 3.44 1.78 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 0.93 0.72 0.64 0.00 0.00 95 K 7.86 3.74 0.00 1.41 1.96 0.00 1.77 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.40 7.81 96 K 7.97 3.95 0.00 2.02 2.07 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.56 7.81 97 A 8.52 4.01 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 98 L 8.07 3.95 0.00 2.02 1.67 1.04 1.12 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 99 S 8.29 4.15 0.00 4.02 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 0.00 100 I 8.30 3.69 2.10 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 0.42 0.95 0.00 0.00 101 R 7.57 3.95 0.00 2.10 2.03 0.00 3.19 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 1.69 1.95 0.00 102 K 8.05 3.94 0.00 2.00 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 103 H 7.99 4.13 0.00 3.14 3.62 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.44 4.00 0.00 1.87 1.70 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.82 3.91 0.00 2.16 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 2.52 0.00 106 K 7.53 4.24 0.00 1.57 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.48 7.81 107 N 7.83 5.02 0.00 2.62 2.68 0.00 0.00 6.45 7.59 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 0.00 108 R 8.18 3.91 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 109 K 8.29 4.30 0.00 1.68 1.78 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.34 7.81 110 D 7.81 4.52 0.00 2.77 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 0.00 111 K 8.36 4.02 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.58 7.81 112 D 8.25 4.44 0.00 2.73 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 0.00 113 S 8.37 4.27 0.00 4.23 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 0.00 114 K 7.75 3.94 0.00 2.00 1.92 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.67 7.81 115 Y 8.05 4.20 0.00 3.00 3.23 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 0.00 116 R 8.24 3.75 0.00 2.03 1.98 0.00 3.36 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 117 L 8.13 3.95 0.00 1.73 1.86 0.96 0.99 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 0.00 118 I 7.65 3.71 1.97 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 1.54 1.04 0.89 0.00 0.00 119 L 7.51 3.87 0.00 1.63 1.57 0.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.72 3.60 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 1.00 0.00 0.00 0.97 0.00 0.00 121 E 8.70 4.11 0.00 2.00 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 0.00 2.53 2.61 0.00 122 S 7.85 4.31 0.00 4.12 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.99 3.90 0.00 2.05 1.95 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 124 I 7.50 3.75 1.94 0.00 0.00 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 1.38 0.85 0.71 0.00 0.00 125 H 8.06 4.44 0.00 3.39 3.38 0.00 5.61 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 0.00 126 R 8.36 4.09 0.00 2.06 1.96 0.00 3.12 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 127 L 7.77 3.99 0.00 1.74 1.91 0.54 0.86 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 0.00 128 S 8.27 4.45 0.00 4.18 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 0.00 129 R 7.69 4.01 0.00 2.07 2.09 0.00 3.37 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 130 Y 7.86 4.17 0.00 2.91 2.98 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 0.00 131 Y 9.30 4.37 0.00 3.24 2.87 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 0.00 132 K 8.49 4.28 0.00 2.08 1.92 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.29 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.80 7.81 133 L 7.85 4.18 0.00 1.67 1.70 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.65 4.73 0.00 2.47 2.70 0.00 0.00 7.19 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 0.00 135 Q 7.40 3.34 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 144 N 8.25 4.27 0.00 2.58 2.62 0.00 0.00 6.13 7.26 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 0.00 145 A 7.05 4.62 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 0.00 146 Q 8.95 4.41 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 147 T 7.88 3.98 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 1.21 0.00 0.00 148 A 8.00 4.27 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.14 0.00 4.10 4.16 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 A 8.11 4.04 1.58 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 0.00 151 L 7.69 3.83 0.00 1.77 1.83 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.29 3.76 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 0.85 0.00 0.00 1.00 0.00 0.00 153 Q 7.53 4.18 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.32 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00