NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.3188 0.0000 0.0000 62.5003 32.8060 176.8221 13 K 4.0455 7.5589 121.5060 57.1360 32.8662 174.4368 14 E 3.9374 8.7901 119.1550 59.1905 29.8129 178.5054 15 L 3.2721 7.4022 119.3644 57.1484 41.5700 178.9933 16 V 3.5746 6.4401 117.5001 66.4021 31.4606 177.4491 17 N 4.2224 7.5148 114.4823 56.4682 38.4222 176.7294 18 E 3.8753 7.5065 118.8235 59.2106 29.7200 178.4638 19 W 4.5872 8.1102 118.8307 60.5385 29.1560 178.4329 20 S 4.1539 8.6788 114.8639 61.9392 62.2780 176.8899 21 L 4.0393 7.9339 120.7526 57.9415 41.3873 179.7137 22 K 3.9310 8.4700 118.4380 59.6693 32.0930 179.0498 23 I 3.6927 8.3513 120.0735 64.7729 36.7115 178.3675 24 R 3.9268 8.8247 119.8741 59.3353 29.7021 178.4563 25 K 3.9797 8.4278 119.8663 59.5553 32.1455 178.6712 26 E 3.9842 8.5482 119.2153 59.7263 29.2699 179.2434 27 M 4.0625 8.1071 118.6077 58.2366 31.9091 179.1091 28 R 3.8986 7.6365 118.0453 59.0568 30.2153 178.9594 29 V 3.5582 7.5125 118.2127 66.0183 31.4892 178.1983 30 V 3.5198 7.9753 118.1182 66.0579 31.2887 177.5718 31 D 4.2245 8.2208 118.7396 57.3649 40.7439 178.6129 32 R 3.8582 8.3420 119.3878 59.8555 30.0483 178.5305 33 Q 3.9972 8.4098 117.9346 58.9055 28.5950 178.9541 34 I 3.6019 7.6357 120.9109 64.3402 37.2292 178.2922 35 R 3.8682 8.1590 119.8737 59.5323 29.6532 178.3323 36 D 4.2665 8.0658 118.4787 57.4150 40.9907 178.3540 37 I 3.6705 7.6726 120.2139 64.9213 37.1862 178.4573 38 Q 3.9919 8.2726 118.4931 58.9893 27.3933 178.6716 39 R 4.6867 7.8050 120.8326 58.9052 30.0434 178.1325 40 E 4.2786 8.4868 119.5599 59.0084 29.5395 178.5455 41 E 4.0184 8.2422 118.8989 59.0000 29.4832 178.6837 42 E 3.9327 8.2381 118.9259 59.6566 29.5591 179.8932 43 K 3.9031 7.4354 118.0926 59.5999 32.2111 179.4532 44 V 3.5738 7.6548 118.3667 65.9993 31.2462 177.8006 45 K 3.8710 8.3297 119.4284 59.6325 31.9625 178.9787 46 R 3.8835 8.0091 118.0981 59.3083 30.0189 178.9993 47 S 4.0870 8.0651 114.3944 61.7876 62.8195 176.5392 48 V 3.5771 7.9781 120.8754 66.2131 31.1269 178.1053 49 K 3.9161 8.0060 117.6876 59.5826 31.9803 178.6818 50 D 4.3554 8.4171 119.1705 57.7438 40.8520 179.1140 51 A 4.0042 8.6233 120.8608 54.9891 18.3008 179.4799 52 A 3.8868 8.1588 119.3920 55.5074 18.3375 180.0569 53 K 4.0904 8.2905 115.7251 59.0213 32.1158 178.6881 54 K 4.4502 7.9166 116.3839 55.3121 32.1760 177.1111 55 G 3.9431 8.2786 106.8706 46.6843 0.0000 176.1695 56 Q 4.2944 7.7713 120.9450 54.3251 26.5774 176.5866 57 K 3.9140 8.2359 123.9140 59.6450 32.5847 178.0320 58 D 4.3852 8.1388 118.3670 57.4387 40.6608 179.0434 59 V 3.6058 7.7440 118.1563 66.0824 31.5891 177.7394 60 C 4.1118 7.8732 115.9126 62.8867 28.0269 175.8474 61 I 3.6724 8.0080 121.7411 64.5899 36.5201 178.3862 62 V 3.5695 7.5479 117.0703 66.1548 31.7214 177.4915 63 L 4.0908 8.3670 118.7031 57.7537 41.4246 179.1061 64 A 3.9967 8.3869 120.9879 55.6431 18.2325 179.7641 65 K 3.8179 8.2116 116.3675 59.6845 32.0868 179.0400 66 E 3.9100 8.2133 119.5337 59.3807 29.3840 178.6923 67 M 3.9808 8.2137 118.5556 58.4925 32.3495 177.7945 68 I 3.6596 7.8153 112.8161 64.4177 37.3708 177.3332 69 R 3.8580 8.1106 121.1796 59.0632 29.7591 178.3542 70 S 4.0946 8.0123 114.3687 61.7219 62.8151 176.6364 71 R 3.9367 8.2382 120.9233 59.5083 29.8137 179.1530 72 K 3.9168 8.3440 117.9050 59.3635 32.1666 179.1134 73 A 3.9649 8.0894 120.9971 55.3190 18.2852 179.8933 74 V 3.4876 8.3838 116.9642 66.0346 31.5247 177.9050 75 S 4.1969 8.3850 113.1463 61.5806 62.2873 175.8620 76 K 3.7755 8.3463 122.2863 59.7017 31.6472 178.6702 77 L 3.9319 7.7442 118.5893 58.0992 41.5987 178.9430 78 Y 4.1540 8.2807 116.7768 60.9889 37.7722 178.4947 79 A 3.9919 8.8448 122.0993 55.4388 18.4425 179.6081 80 S 4.1633 8.1281 113.4816 61.9123 62.9677 176.8755 81 K 3.9134 8.3610 122.0717 59.6184 31.7602 178.2930 82 A 3.9331 8.2146 120.9293 55.3933 18.3157 178.9323 83 H 4.0485 8.1757 114.0312 59.5564 28.9509 177.4814 84 M 4.0490 8.4823 120.3865 58.7997 31.7685 178.7384 85 N 4.4133 8.1063 116.3342 56.0569 38.6096 177.1461 86 S 4.1074 8.3821 115.1411 61.7399 62.4027 176.6674 87 V 3.5757 7.9508 120.5761 65.7784 31.2718 177.6588 88 L 3.9708 8.4484 120.4619 58.3559 41.9623 178.6957 89 M 4.1354 8.8340 119.1736 58.6548 32.0000 178.7132 90 G 4.0076 8.3887 105.9323 48.5314 0.0000 175.4586 91 M 4.1926 8.0741 120.5685 57.9423 31.7606 178.6427 92 K 3.9506 7.8351 118.7231 59.6616 32.2964 177.7735 93 N 4.3628 8.7124 117.4602 57.1235 38.3622 176.5157 94 Q 4.0955 8.7464 119.3556 59.3218 28.6483 179.6644 95 L 3.8065 7.5319 118.7880 58.0234 41.7580 179.1133 96 A 4.3622 9.0347 119.9950 53.7828 18.6520 179.1741 97 V 3.8907 7.4065 117.5620 61.4248 29.1199 173.4590 98 L 3.7768 7.5528 120.8654 53.8995 42.7874 177.1163 *102 G 4.6302 8.2292 111.1687 46.3134 0.0000 170.4202 103 S 4.2903 7.5796 117.7328 57.7698 65.6602 173.8096 104 L 4.5580 8.3654 125.6136 54.8428 44.7411 175.5184 105 Q 4.5221 8.7057 125.7413 54.1374 30.7549 176.3008 106 K 4.2841 8.2679 124.4137 55.8935 30.4953 177.2647 107 S 4.3805 8.0509 122.7338 59.2248 61.0032 175.2451 108 T 3.8801 8.2359 118.1794 64.1214 67.9850 175.6101 109 E 3.8024 8.0786 120.3418 60.3892 29.7710 178.8989 110 V 3.8490 7.8707 108.1765 62.3608 31.3588 176.6863 111 M 4.1566 7.8058 121.3942 56.9958 32.6246 177.4633 112 K 4.1156 7.5401 117.7762 58.8944 33.7454 179.1129 113 A 3.9027 8.0303 122.7759 55.4426 18.5006 178.4609 114 M 4.1745 7.9430 111.2106 56.1228 31.9704 175.9590 115 Q 4.4239 7.5078 118.4994 56.3032 30.6983 176.1996 116 S 4.5033 7.6685 110.2478 58.1413 63.9724 174.4990 117 L 4.2765 7.5906 122.9076 57.0036 42.4904 177.9274 118 V 4.2627 7.5574 111.1379 61.0906 31.0865 176.1880 119 K 4.6049 8.1937 117.9256 56.3023 32.1206 176.6349 120 I 4.4203 7.3567 120.3040 61.3763 39.5335 175.9457 121 P 4.8578 0.0000 0.0000 67.4616 31.7501 177.6747 122 E 4.1286 8.1627 116.5386 58.9651 29.3608 178.1483 123 I 4.0717 7.6899 110.6461 61.9631 38.9676 177.6273 124 Q 3.7400 9.4702 123.7738 59.0948 28.7244 178.4255 125 A 4.0210 7.7024 120.5350 53.9247 17.6231 179.1400 126 T 3.7628 8.2614 103.6122 64.9995 69.8917 177.7535 127 M 3.5480 8.1122 120.9633 56.8304 32.2434 179.2025 128 R 3.5810 7.8719 119.1378 59.1142 30.1062 177.9114 129 E 4.1420 9.5461 119.0931 58.6501 29.7822 178.2269 130 L 3.9803 7.6053 118.6607 57.7291 41.7043 179.0470 131 S 3.8967 8.7179 113.7449 61.0672 62.0870 176.3653 132 K 3.8528 7.5087 121.2131 59.6224 31.8914 178.4251 133 E 4.0135 7.8494 117.4452 60.0084 29.1531 179.4781 134 M 3.9539 7.8941 118.3310 58.4811 32.0422 178.3531 135 M 4.4308 7.7697 118.1327 56.0622 32.4245 178.1008 136 K 3.9426 8.4850 116.6492 57.8794 32.1697 176.8028 137 A 4.9524 9.0587 117.1690 51.2161 21.5037 178.0396 138 G 3.8763 7.5204 114.0553 45.6598 0.0000 175.0764 139 I 3.9127 8.5534 119.6524 61.4297 38.7856 178.1156 140 I 4.1319 7.4792 119.4692 61.5493 36.3139 179.1689 *157 M 4.1661 8.6985 134.7523 56.5431 31.3376 173.9131 158 E 4.4671 8.3272 128.7299 56.8145 30.4380 178.1901 159 E 4.2154 8.1409 120.3432 57.6382 30.5105 176.6955 160 E 4.2950 8.0133 116.6493 56.6513 29.7810 176.8267 161 A 4.3063 7.4133 120.3443 52.9389 18.4404 178.7045 162 E 4.3524 7.6781 113.6782 57.3147 30.3543 177.3190 163 M 4.5093 7.9155 119.7496 56.0644 33.6300 177.6420 164 E 3.9459 8.0727 119.7628 59.0070 29.8278 178.3638 165 I 3.6776 7.7331 112.6432 64.5070 37.7682 177.5916 166 D 4.3898 8.2611 121.0330 56.8337 40.4283 178.7277 167 R 3.9978 7.8332 119.0075 59.3639 29.9674 178.4022 168 I 3.5885 8.1202 119.9910 64.4922 37.2121 177.9629 169 L 4.0747 8.0830 119.3937 57.8855 41.7030 178.7203 170 F 4.1798 8.0391 118.7149 61.6684 39.1314 177.6814 171 E 4.5037 8.6031 112.8652 56.8887 28.9750 177.1046 172 I 4.0985 7.9396 119.3858 61.3523 37.7206 174.4442 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 P 0.00 4.32 0.00 2.18 2.01 0.00 3.56 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 2.03 2.07 0.00 13 K 7.56 4.05 0.00 1.83 1.74 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 14 E 8.79 3.94 0.00 2.10 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 2.22 2.27 0.00 15 L 7.40 3.27 0.00 0.92 0.13 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.44 3.57 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 1.14 0.00 0.00 1.03 0.00 0.00 17 N 7.51 4.22 0.00 2.78 2.82 0.00 0.00 6.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.51 3.88 0.00 1.99 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 2.37 2.38 0.00 19 W 8.11 4.59 0.00 3.63 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.68 4.15 0.00 4.15 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.93 4.04 0.00 2.03 1.76 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.47 3.93 0.00 2.04 1.92 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.58 7.81 23 I 8.35 3.69 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 0.93 0.00 0.00 24 R 8.82 3.93 0.00 2.02 2.10 0.00 3.16 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 25 K 8.43 3.98 0.00 1.92 2.00 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 E 8.55 3.98 0.00 2.14 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 2.54 2.50 0.00 27 M 8.11 4.06 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.60 0.00 28 R 7.64 3.90 0.00 2.06 1.97 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 29 V 7.51 3.56 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 1.11 0.00 0.00 0.98 0.00 0.00 30 V 7.98 3.52 2.17 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 0.89 0.00 0.00 0.90 0.00 0.00 31 D 8.22 4.22 0.00 2.82 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 32 R 8.34 3.86 0.00 1.85 2.10 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 33 Q 8.41 4.00 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 34 I 7.64 3.60 1.81 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 0.69 0.00 0.00 35 R 8.16 3.87 0.00 2.00 2.03 0.00 3.08 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 36 D 8.07 4.27 0.00 2.91 2.67 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 37 I 7.67 3.67 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.91 0.00 0.00 38 Q 8.27 3.99 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 39 R 7.80 4.69 0.00 2.14 1.99 0.00 3.13 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 40 E 8.49 4.28 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 41 E 8.24 4.02 0.00 2.21 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 2.34 2.54 0.00 42 E 8.24 3.93 0.00 2.15 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 2.35 2.63 0.00 43 K 7.44 3.90 0.00 2.13 1.84 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 44 V 7.65 3.57 2.09 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 1.09 0.00 0.00 0.97 0.00 0.00 45 K 8.33 3.87 0.00 1.94 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 46 R 8.01 3.88 0.00 2.02 1.96 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 47 S 8.07 4.09 0.00 3.95 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 48 V 7.98 3.58 2.29 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 1.12 0.00 0.00 1.04 0.00 0.00 49 K 8.01 3.92 0.00 2.03 1.83 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.65 7.81 50 D 8.42 4.36 0.00 2.87 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 51 A 8.62 4.00 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 52 A 8.16 3.89 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 53 K 8.29 4.09 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 54 K 7.92 4.45 0.00 1.73 1.82 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.58 7.81 55 G 8.28 3.94 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 0.00 0.00 0.00 56 Q 7.77 4.29 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 57 K 8.24 3.91 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.70 7.81 58 D 8.14 4.39 0.00 2.68 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 59 V 7.74 3.61 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 1.13 0.00 0.00 1.01 0.00 0.00 60 C 7.87 4.11 0.00 3.22 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 61 I 8.01 3.67 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 1.42 0.79 0.92 0.00 0.00 62 V 7.55 3.57 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 0.83 0.00 0.00 0.96 0.00 0.00 63 L 8.37 4.09 0.00 1.75 1.72 0.92 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 64 A 8.39 4.00 1.44 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 65 K 8.21 3.82 0.00 1.95 1.89 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 66 E 8.21 3.91 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 67 M 8.21 3.98 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 68 I 7.82 3.66 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 1.69 0.58 0.92 0.00 0.00 69 R 8.11 3.86 0.00 2.10 2.15 0.00 3.10 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 1.64 1.71 0.00 70 S 8.01 4.09 0.00 4.08 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 71 R 8.24 3.94 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 72 K 8.34 3.92 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 73 A 8.09 3.96 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 74 V 8.38 3.49 2.26 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 1.12 0.00 0.00 0.96 0.00 0.00 75 S 8.38 4.20 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.35 3.78 0.00 1.87 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 77 L 7.74 3.93 0.00 1.84 1.52 0.83 0.58 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 78 Y 8.28 4.15 0.00 3.16 2.90 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 79 A 8.84 3.99 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 80 S 8.13 4.16 0.00 4.02 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 81 K 8.36 3.91 0.00 1.86 2.00 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.50 7.81 82 A 8.21 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 8.18 4.05 0.00 3.37 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.48 4.05 0.00 2.04 2.38 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 85 N 8.11 4.41 0.00 3.00 2.88 0.00 0.00 6.67 7.60 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 86 S 8.38 4.11 0.00 3.88 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 87 V 7.95 3.58 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 0.92 0.00 0.00 0.91 0.00 0.00 88 L 8.45 3.97 0.00 1.94 1.75 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 89 M 8.83 4.14 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 90 G 8.39 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 0.00 0.00 0.00 91 M 8.07 4.19 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.99 0.00 92 K 7.84 3.95 0.00 1.80 1.94 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 93 N 8.71 4.36 0.00 2.84 3.01 0.00 0.00 7.26 7.13 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 94 Q 8.75 4.10 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.51 0.00 0.00 0.00 0.00 0.00 2.64 2.72 0.00 95 L 7.53 3.81 0.00 1.74 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 96 A 9.03 4.36 1.34 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 0.00 0.00 0.00 97 V 7.41 3.89 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 1.04 0.00 0.00 1.01 0.00 0.00 98 L 7.55 3.78 0.00 1.80 1.59 0.98 0.86 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 *102 G 8.23 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.29 0.00 3.99 3.69 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 0.00 104 L 8.37 4.56 0.00 1.52 1.61 1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.71 4.52 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.56 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 106 K 8.27 4.28 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 107 S 8.05 4.38 0.00 3.91 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 0.00 108 T 8.24 3.88 4.24 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 1.21 0.00 0.00 109 E 8.08 3.80 0.00 2.04 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 2.40 2.28 0.00 110 V 7.87 3.85 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 0.63 0.00 0.00 0.95 0.00 0.00 111 M 7.81 4.16 0.00 2.14 1.99 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 2.51 2.43 0.00 112 K 7.54 4.12 0.00 2.10 2.03 0.00 1.36 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.69 1.38 7.81 113 A 8.03 3.90 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 0.00 114 M 7.94 4.17 0.00 1.89 2.10 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 2.49 2.45 0.00 115 Q 7.51 4.42 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 116 S 7.67 4.50 0.00 3.86 3.84 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 0.00 117 L 7.59 4.28 0.00 1.93 1.64 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.56 4.26 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 0.81 0.00 0.00 0.93 0.00 0.00 119 K 8.19 4.60 0.00 1.76 1.79 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.38 7.81 120 I 7.36 4.42 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.94 0.00 0.00 121 P 0.00 4.86 0.00 2.05 2.04 0.00 3.72 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 122 E 8.16 4.13 0.00 1.99 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 2.35 2.34 0.00 123 I 7.69 4.07 1.86 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 1.41 0.85 0.97 0.00 0.00 124 Q 9.47 3.74 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 125 A 7.70 4.02 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 0.00 126 T 8.26 3.76 4.24 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 1.27 0.00 0.00 127 M 8.11 3.55 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 128 R 7.87 3.58 0.00 1.79 2.01 0.00 3.06 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 129 E 9.55 4.14 0.00 2.07 2.09 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 2.29 2.35 0.00 130 L 7.61 3.98 0.00 1.75 1.37 0.88 0.88 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 0.00 131 S 8.72 3.90 0.00 3.75 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 0.00 132 K 7.51 3.85 0.00 1.94 1.90 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 133 E 7.85 4.01 0.00 2.09 2.42 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 2.54 2.48 0.00 134 M 7.89 3.95 0.00 1.79 1.78 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.52 0.00 135 M 7.77 4.43 0.00 1.98 2.27 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 2.59 2.41 0.00 136 K 8.48 3.94 0.00 2.00 1.71 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.50 7.81 137 A 9.06 4.95 1.29 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 0.00 0.00 138 G 7.52 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 0.00 139 I 8.55 3.91 1.84 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 1.05 0.00 0.00 140 I 7.48 4.13 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.89 0.00 0.00 *157 M 8.70 4.17 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 158 E 8.33 4.47 0.00 2.07 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 2.37 2.29 0.00 159 E 8.14 4.22 0.00 1.96 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 2.34 2.26 0.00 160 E 8.01 4.29 0.00 2.06 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 2.34 2.29 0.00 161 A 7.41 4.31 1.34 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 0.00 0.00 0.00 162 E 7.68 4.35 0.00 2.27 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 2.60 2.34 0.00 163 M 7.92 4.51 0.00 2.05 2.28 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 2.50 2.49 0.00 164 E 8.07 3.95 0.00 2.03 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 2.39 2.37 0.00 165 I 7.73 3.68 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 1.65 0.79 0.91 0.00 0.00 166 D 8.26 4.39 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.83 4.00 0.00 2.13 2.10 0.00 3.11 0.00 0.00 3.16 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 168 I 8.12 3.59 1.90 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 1.58 0.90 0.94 0.00 0.00 169 L 8.08 4.07 0.00 1.83 1.78 1.00 0.92 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 0.00 170 F 8.04 4.18 0.00 3.37 3.26 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 0.00 171 E 8.60 4.50 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 2.47 2.64 0.00 172 I 7.94 4.10 1.87 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 0.43 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.