NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 C 4.5157 8.3133 120.6385 56.4272 45.4593 175.5926 *17 D 4.8260 7.9354 119.3584 53.7833 43.6294 175.9437 18 N 5.0004 8.0113 119.0166 53.1697 39.8257 175.8121 19 F 3.7841 7.5968 115.9214 61.2168 40.1564 174.5566 20 P 3.3402 0.0000 0.0000 65.7732 32.1805 178.5483 21 Q 3.6657 7.6016 117.5429 60.0401 29.4821 179.5027 22 M 3.9154 7.8633 119.6256 58.5653 32.2782 178.7686 23 L 4.0109 8.1160 119.3995 57.6676 41.7759 179.0202 24 R 3.8122 7.8862 117.8215 60.0151 29.7816 177.9025 25 D 4.4464 8.0551 117.3504 57.3212 40.5543 178.9958 26 L 4.1163 7.9441 120.7418 58.1700 42.2068 179.0790 27 R 4.0410 7.9022 117.4155 59.1740 29.5550 178.6317 28 D 4.4219 8.8182 120.4468 56.8223 40.6728 178.6620 29 A 4.0383 7.5497 118.8600 54.5075 18.4276 178.7979 30 F 4.6309 8.0089 119.0922 60.6336 39.3712 177.5661 31 S 3.5126 8.4485 113.6697 61.3737 62.7519 175.8654 32 R 4.3983 7.5118 116.7083 56.6454 29.7012 177.2015 33 V 4.4320 7.3855 109.2983 60.6705 35.7380 177.8984 34 K 3.4783 8.5085 122.3968 60.1360 32.0487 177.2900 35 T 3.9802 8.3334 116.3677 64.8216 67.9700 176.7216 36 F 3.5004 7.3008 126.0583 60.8314 40.8464 177.3889 37 F 4.8478 8.0100 117.2003 59.7326 39.2814 178.1509 38 Q 4.2399 8.3473 116.6929 58.4925 28.5025 178.4980 39 T 3.9857 7.8147 116.8013 66.5243 68.5971 175.7319 40 K 3.9567 7.9226 118.1796 59.3963 32.2919 176.7458 41 D 4.3250 7.4958 118.1602 55.0524 41.0901 174.9791 42 E 4.3982 8.7409 125.8593 57.7988 31.0574 176.4083 43 V 3.7880 7.6027 117.1579 63.1234 32.6884 175.3621 44 D 5.0671 8.4259 123.3470 53.4253 41.1478 175.2829 45 N 4.9797 7.6270 115.5786 50.4233 40.2296 174.8103 46 L 4.0722 8.3228 122.7742 55.0112 42.5276 176.3579 47 L 4.0974 8.5758 128.6538 58.2920 42.7669 178.0990 48 L 4.3496 7.5355 118.2303 53.5936 39.4992 176.7120 49 K 3.9054 7.7415 122.2097 56.3882 32.8023 176.9229 50 E 4.0265 8.8085 124.5279 58.2199 29.4620 179.0769 51 S 4.1388 7.8737 113.7612 61.9573 63.0773 175.9550 52 L 3.9227 8.2957 124.5022 57.8188 41.8713 178.5487 53 L 3.7666 7.3967 118.9838 57.2504 41.6539 178.5358 54 E 4.0963 7.8450 117.8031 59.4355 30.0798 178.1682 55 D 4.4819 7.9777 118.1003 56.9680 40.4252 178.5956 56 F 4.2247 8.6653 119.1131 59.9425 38.7134 176.8552 57 K 4.6098 7.7175 115.4479 56.4461 32.4120 176.2990 58 G 3.9466 7.4391 109.7846 43.3658 0.0000 173.7134 59 Y 4.2405 6.8483 115.8381 59.1221 38.4183 176.2789 60 L 4.5059 7.9447 119.4626 54.7500 42.5118 178.1610 61 G 4.1255 7.9534 107.9918 48.2229 0.0000 175.1290 62 C 4.2386 8.0349 120.1100 59.1776 41.9699 175.5536 63 Q 3.9077 7.8703 119.0393 58.8314 28.4453 177.9218 64 A 4.2405 8.6355 122.5199 55.4119 18.3414 179.3505 65 L 3.8485 7.3233 118.2297 58.4019 42.0806 179.2667 66 S 4.1160 8.1329 112.9904 61.3406 62.2730 175.9740 67 E 4.0591 9.0375 122.5516 59.3131 29.1445 179.2875 68 M 4.2667 8.5849 119.3232 58.6315 32.1960 178.6846 69 I 3.8832 8.1501 120.1434 64.7461 36.8675 178.4155 70 Q 4.0864 8.4022 118.7991 58.9067 28.4949 178.9834 71 F 4.4373 8.4282 121.6480 61.7713 39.5765 176.9530 72 Y 3.8244 8.6253 116.1990 59.8694 37.4239 177.2692 73 L 4.5408 7.8105 117.9529 54.9476 42.6738 177.3145 74 E 4.5032 7.6968 116.1052 58.0520 31.3823 176.5104 75 E 4.2670 8.1847 117.7812 57.0802 29.8512 178.5785 76 V 2.9432 7.1529 117.5613 67.5267 32.5161 178.1005 77 M 4.0853 7.5760 117.8509 58.3989 32.4217 176.4892 78 P 4.3950 0.0000 0.0000 65.5505 31.3928 178.5464 79 Q 3.9768 8.0327 114.8215 58.3507 28.8216 177.9295 80 A 4.5726 8.5253 122.6081 54.0889 19.2497 179.3935 81 E 3.8050 7.7488 115.3119 59.4151 30.2809 179.6219 82 N 4.3930 7.7889 115.9006 56.3138 39.3069 175.5805 83 Q 4.1101 7.6612 117.8871 59.1571 29.2827 177.7815 84 D 4.9867 7.7126 119.7476 51.4233 40.6267 174.9402 85 P 4.4524 0.0000 0.0000 65.7368 31.6193 177.3069 86 E 4.1656 8.3753 114.6616 58.8295 29.6273 178.2930 87 A 3.8291 8.6300 121.0817 53.1223 19.2491 178.7234 88 K 3.8983 8.2179 118.2883 60.0339 32.0664 177.3885 89 D 4.3389 8.0748 117.3810 57.8338 41.2585 178.0399 90 H 4.6527 7.9907 115.2419 57.7558 29.1015 177.6818 91 V 3.7034 7.9622 120.5768 65.8601 31.1219 177.5026 92 N 4.6810 7.8436 117.2984 56.1601 38.7977 176.6942 93 S 4.2638 7.6337 115.1535 61.4812 62.8983 176.3313 94 L 4.1320 7.8559 122.6532 58.1538 41.6397 179.3414 95 G 3.9596 8.0946 100.1488 45.8336 0.0000 173.4345 96 E 4.6015 8.3366 121.8104 56.8417 32.0493 177.9851 97 N 4.6526 7.7982 115.4357 55.0009 38.4166 177.1284 98 L 3.9349 7.7786 122.0314 57.8323 42.3944 178.1895 99 K 3.8505 8.0806 117.8838 60.2703 31.8965 179.2447 100 T 3.9317 8.3209 115.6766 66.0362 68.2999 176.7084 101 L 4.0420 7.6238 122.6566 57.7853 42.1233 178.2621 102 R 3.8488 8.2507 119.0879 60.3860 29.6788 177.6708 103 L 3.9540 7.5688 117.3262 57.9557 41.7455 179.3901 104 R 3.9694 7.7334 118.7241 59.1701 30.3932 178.7692 105 L 4.1986 7.6949 119.1366 56.8332 42.4965 179.1646 106 R 4.4545 8.4621 115.2509 56.1817 29.1070 176.4720 107 R 4.2930 7.6694 117.2460 59.2885 33.3402 176.3947 108 C 4.6702 8.1807 117.1029 57.9780 37.0348 175.1485 109 H 3.9594 7.2410 120.3653 58.5595 29.3667 177.3235 110 R 3.8209 8.1381 118.6276 58.6288 30.0438 176.3637 111 F 4.4474 8.8851 114.4389 58.7935 41.2060 176.3640 112 L 4.8602 7.0745 119.5571 52.8762 41.5298 175.7964 113 P 4.3361 0.0000 0.0000 65.6134 32.0282 177.8651 114 C 4.5678 8.1946 110.1204 56.7701 41.6065 173.5236 115 E 4.3333 7.9315 118.1948 56.2764 30.4608 175.5590 116 N 4.9041 7.8063 116.9424 51.6504 40.3335 174.3413 117 K 4.5937 8.0495 117.4089 54.7556 35.2129 176.2515 118 S 4.1466 8.6453 116.9929 58.5918 63.1030 175.0029 119 K 3.8437 8.7548 126.9119 59.8340 32.8298 178.9740 120 A 3.9232 8.0046 121.6762 55.1427 18.2211 179.6936 121 V 3.5630 8.0815 116.3389 65.3692 31.3713 177.8002 122 E 3.9699 7.5761 118.9649 59.0563 29.7636 177.8270 123 Q 4.1299 8.6882 118.7790 59.4286 28.7517 179.7203 124 I 3.6639 7.8659 120.0392 64.5207 37.4292 178.4540 125 K 3.8324 8.0637 120.0527 59.2524 31.8364 178.3691 126 N 4.4606 8.9020 117.6301 56.0874 38.4995 176.6649 127 A 3.9876 8.1883 121.4541 55.6092 18.5347 178.8342 128 F 4.0802 8.2501 117.4081 61.9081 39.4446 176.9530 129 N 4.4448 7.8215 113.3101 54.9912 39.5126 176.5186 130 K 4.4421 7.5647 122.4626 54.2137 29.6597 176.8858 131 L 4.1871 7.3961 114.7203 56.3821 46.5585 176.5715 132 Q 3.0810 7.7066 116.4783 55.4314 29.4843 176.7826 133 E 3.7320 8.7791 123.7253 60.5233 29.6879 179.5882 134 K 4.3429 7.9065 119.3260 58.9363 32.2233 179.1248 135 G 3.3799 7.9946 106.5307 47.9683 0.0000 175.6565 136 I 3.9620 7.2132 121.1735 64.3311 37.0719 178.0208 137 Y 4.3427 7.3993 117.5262 61.1965 37.9048 178.3818 138 K 4.0424 8.2440 119.8113 59.2307 32.1594 178.5578 139 A 4.0617 8.1103 120.9879 55.6404 18.2083 179.6565 140 M 4.2684 7.8630 115.1912 58.4654 32.0537 178.9000 141 S 4.3791 8.2050 114.7239 60.5914 63.1780 175.3320 142 E 4.6631 8.0245 120.3958 55.5022 29.8153 177.3255 143 F 3.6920 7.9604 120.9450 61.4715 38.9178 176.6548 144 D 4.4880 8.2905 118.2750 56.3777 39.1102 178.4933 145 I 3.5495 8.7248 122.3847 63.6468 37.0690 177.6664 146 F 4.1559 7.9324 121.1028 61.7737 38.9229 177.2939 147 I 3.1764 7.3574 118.7890 64.0497 36.5650 177.9724 148 N 4.4402 7.8267 116.3803 55.5238 38.5874 176.7527 149 Y 4.6342 7.5095 118.3512 60.9453 38.2832 177.2785 150 I 3.6178 7.8510 120.8458 64.8633 37.2055 177.9978 151 E 3.9468 8.0719 119.3481 59.0560 29.2238 178.6226 152 A 4.0359 8.1931 120.6499 55.3765 18.6689 178.6867 153 Y 4.0546 7.9334 117.5305 61.0326 38.7184 177.8726 154 M 4.1660 7.7506 118.6027 58.1037 32.1936 178.1356 155 T 4.1075 7.5411 113.7068 64.5789 69.4614 174.5862 156 I 4.2018 6.9946 122.9543 60.0151 37.0844 176.0214 157 K 4.0420 7.4639 123.9346 56.9749 32.8956 176.4964 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 12 C 8.31 4.52 0.00 3.01 2.91 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 *17 D 7.94 4.83 0.00 2.69 2.53 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 18 N 8.01 5.00 0.00 2.71 2.70 0.00 0.00 6.43 8.13 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 19 F 7.60 3.78 0.00 2.73 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 20 P 0.00 3.34 0.00 2.11 1.80 0.00 3.71 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 2.11 1.94 0.00 21 Q 7.60 3.67 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 22 M 7.86 3.92 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 23 L 8.12 4.01 0.00 1.73 1.59 0.51 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.89 3.81 0.00 1.80 2.05 0.00 3.17 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 25 D 8.06 4.45 0.00 2.76 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 26 L 7.94 4.12 0.00 1.86 1.80 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.90 4.04 0.00 1.91 2.03 0.00 3.19 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 28 D 8.82 4.42 0.00 2.81 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 29 A 7.55 4.04 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 30 F 8.01 4.63 0.00 3.03 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.45 3.51 0.00 3.99 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 32 R 7.51 4.40 0.00 1.73 1.91 0.00 3.05 0.00 0.00 3.07 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 33 V 7.39 4.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.10 0.00 0.00 34 K 8.51 3.48 0.00 1.15 1.52 0.00 1.55 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.33 7.81 35 T 8.33 3.98 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 1.17 0.00 0.00 36 F 7.30 3.50 0.00 2.83 2.60 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 37 F 8.01 4.85 0.00 3.22 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 38 Q 8.35 4.24 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.77 0.00 39 T 7.81 3.99 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 1.11 0.00 0.00 40 K 7.92 3.96 0.00 1.96 1.93 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.51 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.44 1.43 7.81 41 D 7.50 4.32 0.00 2.70 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 42 E 8.74 4.40 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 43 V 7.60 3.79 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 44 D 8.43 5.07 0.00 2.67 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 45 N 7.63 4.98 0.00 2.80 2.78 0.00 0.00 6.29 7.79 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 46 L 8.32 4.07 0.00 1.61 1.63 0.96 0.95 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 47 L 8.58 4.10 0.00 1.68 1.70 0.99 1.05 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 48 L 7.54 4.35 0.00 1.66 1.58 0.97 0.94 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 49 K 7.74 3.91 0.00 1.80 1.66 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.49 7.81 50 E 8.81 4.03 0.00 2.01 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 2.34 2.30 0.00 51 S 7.87 4.14 0.00 4.07 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 52 L 8.30 3.92 0.00 1.65 1.56 1.07 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.40 3.77 0.00 1.67 1.80 0.92 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 54 E 7.85 4.10 0.00 2.15 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 2.65 2.47 0.00 55 D 7.98 4.48 0.00 3.05 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 56 F 8.67 4.22 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 57 K 7.72 4.61 0.00 1.71 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.75 7.81 58 G 7.44 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 0.00 0.00 0.00 59 Y 6.85 4.24 0.00 3.03 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.94 4.51 0.00 1.81 1.80 1.04 1.14 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 61 G 7.95 4.13 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 0.00 0.00 0.00 62 C 8.03 4.24 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.87 3.91 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 64 A 8.64 4.24 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.32 3.85 0.00 1.04 1.48 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.13 4.12 0.00 4.00 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 67 E 9.04 4.06 0.00 2.22 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 2.35 2.58 0.00 68 M 8.58 4.27 0.00 2.31 2.59 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.12 0.00 69 I 8.15 3.88 1.94 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 1.60 1.00 0.96 0.00 0.00 70 Q 8.40 4.09 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 71 F 8.43 4.44 0.00 3.11 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 72 Y 8.63 3.82 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.81 4.54 0.00 1.66 1.72 0.94 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 74 E 7.70 4.50 0.00 2.17 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 2.33 0.00 75 E 8.18 4.27 0.00 2.09 1.84 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 2.34 2.39 0.00 76 V 7.15 2.94 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 0.62 0.00 0.00 -0.83 0.00 0.00 77 M 7.58 4.09 0.00 2.09 2.17 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 2.85 2.59 0.00 78 P 0.00 4.39 0.00 2.38 2.13 0.00 3.78 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 2.20 2.07 0.00 79 Q 8.03 3.98 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 80 A 8.53 4.57 1.37 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 0.00 0.00 0.00 81 E 7.75 3.81 0.00 2.06 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 2.43 2.53 0.00 82 N 7.79 4.39 0.00 2.82 2.85 0.00 0.00 7.15 6.96 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 83 Q 7.66 4.11 0.00 2.44 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 84 D 7.71 4.99 0.00 2.84 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.45 0.00 2.17 2.13 0.00 3.67 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 86 E 8.38 4.17 0.00 2.11 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 2.40 2.51 0.00 87 A 8.63 3.83 0.44 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 0.00 0.00 0.00 88 K 8.22 3.90 0.00 1.97 1.76 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.50 7.81 89 D 8.07 4.34 0.00 2.78 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 90 H 7.99 4.65 0.00 3.14 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.96 3.70 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 1.09 0.00 0.00 1.19 0.00 0.00 92 N 7.84 4.68 0.00 3.02 2.84 0.00 0.00 7.17 7.64 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 93 S 7.63 4.26 0.00 4.11 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 94 L 7.86 4.13 0.00 1.85 1.86 0.92 0.87 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 95 G 8.09 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 96 E 8.34 4.60 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 97 N 7.80 4.65 0.00 2.86 2.83 0.00 0.00 6.55 6.49 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 98 L 7.78 3.93 0.00 1.83 1.62 0.86 0.66 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 99 K 8.08 3.85 0.00 1.98 1.87 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.66 7.81 100 T 8.32 3.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 101 L 7.62 4.04 0.00 1.77 1.76 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.25 3.85 0.00 2.01 2.15 0.00 3.33 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 103 L 7.57 3.95 0.00 1.60 1.65 0.92 0.94 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 0.00 104 R 7.73 3.97 0.00 1.80 2.00 0.00 3.33 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 105 L 7.69 4.20 0.00 2.01 1.69 0.94 0.65 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 0.00 106 R 8.46 4.45 0.00 2.01 2.03 0.00 3.03 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 107 R 7.67 4.29 0.00 1.91 2.00 0.00 3.26 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 108 C 8.18 4.67 0.00 2.99 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 0.00 109 H 7.24 3.96 0.00 3.23 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.14 3.82 0.00 1.73 2.10 0.00 2.94 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.00 111 F 8.89 4.45 0.00 2.97 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 0.00 112 L 7.07 4.86 0.00 1.75 1.60 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.34 0.00 2.18 2.11 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.47 0.00 114 C 8.19 4.57 0.00 3.08 3.22 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 0.00 115 E 7.93 4.33 0.00 2.14 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 2.25 2.25 0.00 116 N 7.81 4.90 0.00 2.89 2.80 0.00 0.00 6.68 7.72 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 0.00 117 K 8.05 4.59 0.00 1.78 1.72 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.40 7.81 118 S 8.65 4.15 0.00 3.85 3.76 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 0.00 119 K 8.75 3.84 0.00 2.02 2.04 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 120 A 8.00 3.92 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.08 3.56 2.20 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 0.93 0.00 0.00 0.90 0.00 0.00 122 E 7.58 3.97 0.00 1.99 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 2.28 2.39 0.00 123 Q 8.69 4.13 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 124 I 7.87 3.66 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.90 0.00 0.00 125 K 8.06 3.83 0.00 2.07 2.07 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 126 N 8.90 4.46 0.00 3.02 2.85 0.00 0.00 6.66 5.12 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 0.00 127 A 8.19 3.99 1.37 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 0.00 0.00 0.00 128 F 8.25 4.08 0.00 3.01 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 0.00 129 N 7.82 4.44 0.00 3.00 2.89 0.00 0.00 6.95 7.49 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 0.00 130 K 7.56 4.44 0.00 1.74 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.44 7.81 131 L 7.40 4.19 0.00 1.60 1.50 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 7.71 3.08 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 133 E 8.78 3.73 0.00 1.99 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 2.27 2.40 0.00 134 K 7.91 4.34 0.00 1.91 1.95 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.49 7.81 135 G 7.99 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 0.00 0.00 0.00 136 I 7.21 3.96 1.44 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.80 0.00 0.00 137 Y 7.40 4.34 0.00 3.19 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 0.00 138 K 8.24 4.04 0.00 1.89 1.88 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.70 7.81 139 A 8.11 4.06 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 0.00 140 M 7.86 4.27 0.00 2.09 2.36 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 2.68 3.03 0.00 141 S 8.20 4.38 0.00 4.05 3.97 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 0.00 142 E 8.02 4.66 0.00 2.07 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 2.27 2.19 0.00 143 F 7.96 3.69 0.00 3.28 3.22 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 0.00 144 D 8.29 4.49 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.72 3.55 1.58 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 1.31 0.65 0.47 0.00 0.00 146 F 7.93 4.16 0.00 2.77 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 0.00 147 I 7.36 3.18 1.87 0.00 0.00 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 1.12 0.74 0.80 0.00 0.00 148 N 7.83 4.44 0.00 2.61 2.82 0.00 0.00 7.04 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.51 4.63 0.00 3.18 2.91 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 0.00 150 I 7.85 3.62 1.54 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.93 0.75 0.00 0.00 151 E 8.07 3.95 0.00 2.09 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 2.30 2.30 0.00 152 A 8.19 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.93 4.05 0.00 3.01 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 0.00 154 M 7.75 4.17 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.68 0.00 155 T 7.54 4.11 4.21 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 1.18 0.00 0.00 156 I 6.99 4.20 1.76 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 1.20 0.55 0.71 0.00 0.00 157 K 7.46 4.04 0.00 1.62 1.56 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.57 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.27 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.