NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0935 8.3049 118.1756 55.3459 32.5157 174.2856 2 Y 4.6374 7.8807 115.4181 56.5770 39.7466 174.0271 3 G 4.0316 9.2634 112.4110 44.9635 0.0000 174.2390 4 N 4.5634 8.6786 116.4072 55.1182 38.6329 175.8891 5 D 4.7232 7.9939 116.1389 52.8990 40.1024 176.2540 6 A 4.5420 7.9403 123.4667 52.5805 19.6373 176.8404 7 M 5.2457 8.8370 117.6152 53.6584 35.8934 173.4057 8 L 4.3574 8.1806 120.8218 53.2314 44.2881 174.9702 9 V 4.4802 8.1825 126.5148 60.8659 33.8684 173.8076 10 L 4.8580 8.6566 130.6600 54.0814 43.6960 174.9781 11 I 5.0215 9.1513 127.7237 59.7858 39.9391 174.4534 12 S 4.8260 9.3121 123.6166 57.0176 63.9236 172.3347 13 Y 5.0718 8.8574 130.4483 56.3779 39.3062 174.7389 14 D 4.5919 9.0275 128.8654 52.9028 40.5672 174.1264 15 V 4.1278 7.1032 122.0432 59.2337 33.7843 175.5405 16 S 4.0997 8.3882 118.6443 57.2531 63.5424 174.3173 17 F 5.0633 8.2113 125.4409 57.5561 39.2647 176.9791 18 E 4.1664 8.0367 123.6996 59.0178 29.6313 176.7134 19 D 4.8718 7.7000 116.0714 49.9631 42.2520 174.1576 20 P 4.4742 0.0000 0.0000 65.3295 30.9928 178.9613 21 G 3.8896 7.9868 103.9474 47.6170 0.0000 175.7067 22 G 4.4543 8.0546 109.1442 47.5109 0.0000 175.8268 23 Q 4.3160 8.4755 122.9441 58.9901 28.7251 179.6282 24 R 4.0040 7.8080 120.7584 61.5965 29.4230 182.0145 25 R 4.1986 8.4654 119.7156 58.8759 30.0216 178.9323 26 L 4.2837 8.4212 120.3361 58.3594 42.1285 179.2142 27 R 3.9652 8.2618 118.0110 59.3689 30.0300 179.3230 28 R 3.9079 8.0111 117.7520 59.3394 30.1121 179.2429 29 I 3.4935 7.9962 119.6427 64.1087 37.0368 178.3362 30 A 3.3149 8.2101 122.0289 54.9441 17.9911 179.8401 31 K 3.8921 7.8851 115.6775 59.5302 32.1660 179.1695 32 A 4.1139 7.7338 120.1770 55.2885 18.6063 179.1486 33 C 4.3137 7.9959 115.0820 62.3798 28.1403 175.7490 34 Q 4.0199 8.0324 121.5538 59.5254 28.3376 178.2691 35 D 4.4309 7.9527 117.4822 56.0659 41.1478 176.8520 36 Y 4.8575 7.7944 116.0821 56.8923 38.9588 175.4795 37 G 4.9294 7.7895 109.7931 46.1074 0.0000 174.4596 38 Q 4.5359 7.9486 122.1063 54.2986 31.5495 173.7867 39 R 4.6985 8.5253 119.2931 55.1470 30.3191 176.1690 40 V 4.1248 8.1495 119.3060 62.2908 32.7736 175.7905 41 Q 4.6343 7.2879 117.1849 54.0081 33.0244 174.5635 42 Y 4.3550 8.9179 119.8342 60.7887 38.7648 176.9479 43 S 4.5955 7.7749 113.6173 58.0015 63.9143 173.7750 44 V 4.7146 7.1881 119.3227 62.2240 34.6809 174.1087 45 F 5.3729 9.2738 125.8416 55.7402 43.2269 173.5439 46 E 5.0831 9.3082 122.2628 54.9238 31.9801 174.8244 47 C 5.1749 8.7738 121.3655 57.9813 32.0757 173.0772 48 V 4.0866 8.6335 125.1391 61.4155 31.9725 175.5583 49 V 4.7049 8.2780 120.9961 59.7835 36.4657 175.0914 50 D 5.1823 9.3470 124.6017 51.7274 41.1550 175.6392 51 P 4.2739 0.0000 0.0000 65.8813 31.0051 178.8251 52 A 4.0070 8.0224 118.8956 55.2070 18.3060 179.5577 53 Q 3.8970 8.7892 117.0179 58.7612 28.7817 178.7915 54 W 4.2527 8.5003 129.5075 60.3238 30.7851 177.7071 55 A 3.6158 7.9819 120.7265 55.1244 17.7525 179.8683 56 K 3.7930 7.6326 116.6724 59.3824 32.0593 179.4663 57 L 3.8007 7.7890 120.7319 57.9102 41.9790 178.8595 58 K 3.0506 7.3895 119.8685 59.3293 31.9188 178.1911 59 H 3.9049 7.5977 117.9982 59.0646 29.7294 177.2174 60 R 3.7927 7.7974 120.4457 59.3887 29.9459 178.4432 61 L 3.8273 7.9314 118.9456 57.9046 41.4200 179.6406 62 L 4.0108 7.7434 117.6072 57.6842 41.5463 179.1960 63 S 4.1808 7.6065 112.3522 60.9035 62.3722 175.4844 64 E 4.2068 7.8416 120.7693 57.6209 29.6256 177.0652 65 M 4.2825 7.2202 115.4303 54.9412 32.1998 175.1152 66 D 4.7725 9.0998 119.7598 52.5397 41.7588 177.3973 67 K 4.1732 8.5874 126.6421 58.6528 32.5556 178.3015 68 E 4.2082 8.3670 117.7783 58.1734 29.8718 177.5269 69 K 4.2641 8.2907 116.6054 56.9151 33.0902 175.7335 70 D 5.2998 8.2048 117.4505 52.4695 44.2893 175.2143 71 C 4.9203 8.7687 113.1868 56.8121 33.4806 172.8822 72 L 5.2018 8.4250 119.6549 53.0321 44.1924 175.9510 73 R 4.2638 8.7390 122.2376 54.1554 33.3143 174.5172 74 F 5.2990 8.1790 121.8267 55.8649 41.3698 174.4285 75 Y 4.2902 8.8041 121.5362 56.4743 40.3601 174.6838 76 Y 4.6684 8.5349 123.2447 56.8291 37.5337 175.5853 77 L 4.1729 8.8135 123.9829 54.8628 42.8085 178.4843 78 G 3.8650 8.1852 108.3730 44.4183 0.0000 173.7755 79 A 4.7631 8.5050 119.5018 53.8487 18.7812 177.9860 80 N 4.8154 7.9010 113.9271 52.1950 39.5036 177.0377 81 W 4.3781 8.4958 117.9328 59.7107 28.2600 178.2726 82 R 3.6891 6.8109 116.8062 58.7117 29.5010 176.6415 83 N 4.6782 7.8516 114.0745 53.7048 38.8272 174.9991 84 K 4.6827 8.3305 113.9512 56.1079 34.0355 175.9071 85 V 4.5035 7.7680 117.8762 60.9129 34.2954 174.3082 86 E 4.6874 8.6827 126.1015 54.5246 32.5446 173.7339 87 H 4.8999 8.8420 124.7554 54.1684 32.2723 173.0746 88 V 4.3372 8.1374 125.0215 62.2165 34.5928 174.9194 89 G 3.8138 8.8544 112.1224 43.8944 0.0000 172.7539 90 A 4.1891 8.2758 122.7348 51.9409 19.0739 177.9663 91 K 4.2309 8.3142 119.2673 55.4160 32.8694 175.7809 92 P 4.3992 0.0000 0.0000 62.6913 31.8858 177.7658 93 A 3.8634 8.6395 124.6634 54.6755 18.6180 177.3220 94 Y 4.2584 8.1348 116.2162 58.4415 38.6594 175.8447 95 D 4.4751 8.8021 125.2782 53.5873 36.3617 169.9514 96 P 4.6723 0.0000 0.0000 65.4348 32.4118 177.4814 *97 E 4.2429 8.0014 117.1031 55.3440 31.2716 181.6907 98 G 4.0176 7.4280 110.2215 44.6355 0.0000 172.3363 99 P 4.4880 0.0000 0.0000 62.2697 31.9099 177.5773 100 L 3.8930 8.5672 120.1922 57.0450 41.8252 177.8360 101 I 4.6830 6.9702 116.3041 59.0941 39.9349 175.4768 102 L 4.4123 8.8531 123.5186 55.2609 41.5016 176.8815 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.09 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 2 Y 7.88 4.64 0.00 3.26 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 3 G 9.26 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 0.00 0.00 0.00 4 N 8.68 4.56 0.00 2.76 2.92 0.00 0.00 6.89 8.09 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 5 D 7.99 4.72 0.00 2.80 2.79 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 0.00 0.00 0.00 0.00 6 A 7.94 4.54 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 7 M 8.84 5.25 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 8 L 8.18 4.36 0.00 0.34 1.29 0.52 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.18 4.48 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 0.18 0.00 0.00 -0.27 0.00 0.00 10 L 8.66 4.86 0.00 1.76 1.55 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 I 9.15 5.02 2.18 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 1.19 0.00 0.00 12 S 9.31 4.83 0.00 3.98 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 13 Y 8.86 5.07 0.00 3.06 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 14 D 9.03 4.59 0.00 2.80 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 15 V 7.10 4.13 0.67 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 0.16 0.00 0.00 0.70 0.00 0.00 16 S 8.39 4.10 0.00 3.98 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 17 F 8.21 5.06 0.00 3.09 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 18 E 8.04 4.17 0.00 2.02 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 2.25 0.00 19 D 7.70 4.87 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 20 P 0.00 4.47 0.00 2.21 2.18 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 21 G 7.99 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 0.00 0.00 0.00 22 G 8.05 4.45 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 0.00 0.00 0.00 23 Q 8.48 4.32 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 5.95 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 24 R 7.81 4.00 0.00 1.86 1.94 0.00 3.27 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 1.56 1.54 0.00 25 R 8.47 4.20 0.00 2.14 2.19 0.00 3.39 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 26 L 8.42 4.28 0.00 2.02 1.99 1.21 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.26 3.97 0.00 2.10 2.00 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.01 0.00 28 R 8.01 3.91 0.00 2.01 1.94 0.00 3.23 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 29 I 8.00 3.49 1.74 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.36 0.00 0.00 30 A 8.21 3.31 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 31 K 7.89 3.89 0.00 1.92 1.86 0.00 1.72 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 1.47 1.57 7.81 32 A 7.73 4.11 1.28 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 0.00 0.00 0.00 33 C 8.00 4.31 0.00 2.53 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 34 Q 8.03 4.02 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 35 D 7.95 4.43 0.00 2.02 2.15 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 36 Y 7.79 4.86 0.00 3.14 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 37 G 7.79 4.93 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 0.00 0.00 0.00 38 Q 7.95 4.54 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9.01 7.20 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 39 R 8.53 4.70 0.00 1.73 1.73 0.00 2.91 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.04 0.00 40 V 8.15 4.12 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 0.76 0.00 0.00 0.92 0.00 0.00 41 Q 7.29 4.63 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 42 Y 8.92 4.36 0.00 2.89 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 43 S 7.77 4.60 0.00 4.06 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 44 V 7.19 4.71 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 0.89 0.00 0.00 0.86 0.00 0.00 45 F 9.27 5.37 0.00 3.06 2.88 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 46 E 9.31 5.08 0.00 1.87 1.74 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 2.19 2.25 0.00 47 C 8.77 5.17 0.00 2.70 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 48 V 8.63 4.09 1.48 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 -0.50 0.00 0.00 -0.10 0.00 0.00 49 V 8.28 4.70 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 0.12 0.00 0.00 0.68 0.00 0.00 50 D 9.35 5.18 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.27 0.00 2.19 2.17 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 52 A 8.02 4.01 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 53 Q 8.79 3.90 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 54 W 8.50 4.25 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 55 A 7.98 3.62 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.63 3.79 0.00 1.83 1.80 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.51 7.81 57 L 7.79 3.80 0.00 1.63 1.52 0.95 0.80 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 58 K 7.39 3.05 0.00 0.79 0.85 0.00 1.01 0.00 0.00 1.16 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.97 0.40 7.81 59 H 7.60 3.90 0.00 3.19 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.80 3.79 0.00 1.98 2.01 0.00 3.27 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 1.63 1.54 0.00 61 L 7.93 3.83 0.00 1.80 1.64 1.02 0.77 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 62 L 7.74 4.01 0.00 1.50 1.68 0.93 0.90 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 63 S 7.61 4.18 0.00 3.81 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 64 E 7.84 4.21 0.00 1.88 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 2.44 2.37 0.00 65 M 7.22 4.28 0.00 2.14 2.18 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 2.61 2.70 0.00 66 D 9.10 4.77 0.00 2.71 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 67 K 8.59 4.17 0.00 1.79 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 68 E 8.37 4.21 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 2.29 2.38 0.00 69 K 8.29 4.26 0.00 1.74 1.82 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.50 7.81 70 D 8.20 5.30 0.00 2.71 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 71 C 8.77 4.92 0.00 2.91 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 72 L 8.43 5.20 0.00 1.26 0.91 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.74 4.26 0.00 1.72 1.44 0.00 3.07 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 74 F 8.18 5.30 0.00 2.63 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 0.00 0.00 0.00 0.00 75 Y 8.80 4.29 0.00 2.84 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 76 Y 8.53 4.67 0.00 2.89 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 77 L 8.81 4.17 0.00 1.76 1.87 0.99 0.89 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 78 G 8.19 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.50 4.76 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 N 7.90 4.82 0.00 2.73 2.74 0.00 0.00 6.86 7.66 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 81 W 8.50 4.38 0.00 3.47 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 6.81 3.69 0.00 1.40 1.83 0.00 2.68 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.50 0.00 83 N 7.85 4.68 0.00 2.60 2.84 0.00 0.00 6.96 6.76 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 84 K 8.33 4.68 0.00 1.87 1.78 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.52 7.81 85 V 7.77 4.50 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 0.87 0.00 0.00 1.14 0.00 0.00 86 E 8.68 4.69 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 87 H 8.84 4.90 0.00 3.12 3.16 0.00 5.92 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 88 V 8.14 4.34 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 0.86 0.00 0.00 0.92 0.00 0.00 89 G 8.85 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 90 A 8.28 4.19 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.31 4.23 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 92 P 0.00 4.40 0.00 2.25 2.06 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 93 A 8.64 3.86 1.13 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 94 Y 8.13 4.26 0.00 3.20 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 95 D 8.80 4.48 0.00 2.78 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 96 P 0.00 4.67 0.00 2.17 2.32 0.00 3.39 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 *97 E 8.00 4.24 0.00 1.76 1.81 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 2.13 2.38 0.00 98 G 7.43 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.49 0.00 2.50 2.24 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 100 L 8.57 3.89 0.00 1.64 1.68 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 101 I 6.97 4.68 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 1.11 0.00 0.00 102 L 8.85 4.41 0.00 1.75 1.80 0.86 0.98 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 * Residues marked with a * may have inaccurate shift predictions.