NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 Q 4.2726 8.3449 121.7159 55.5675 29.9784 175.6259 33 C 3.8718 8.7834 122.5271 58.8608 40.4702 172.7181 34 G 3.9198 10.3482 113.7403 45.9254 0.0000 173.8113 35 Q 4.3793 8.2227 117.6608 56.1866 28.9763 177.7798 36 T 3.9531 7.8290 117.8969 66.5668 68.6478 175.9190 37 A 3.3495 7.6860 122.0247 54.8172 18.2028 177.4886 38 P 4.0673 0.0000 0.0000 65.9536 31.3100 178.8071 39 L 4.0212 7.4569 116.1671 57.7022 41.3330 179.4392 40 I 3.6972 7.5443 118.8759 64.3037 37.2405 177.5750 41 N 4.3908 8.2740 118.0139 56.9341 38.6750 176.8489 42 E 4.0110 8.1780 119.7736 59.1407 29.1176 179.2851 43 R 4.0929 8.0996 119.1210 59.5573 29.9566 178.5621 44 L 4.1676 7.7039 117.3290 57.1616 41.7084 179.0816 45 S 4.2120 7.5616 113.5109 60.1903 64.4152 174.4663 46 Y 4.3360 7.4861 123.5036 56.7046 36.7027 175.9007 *48 K 3.8505 7.6656 123.1993 56.4201 34.8395 177.3044 49 D 4.8834 8.4474 118.2760 57.3669 40.7120 178.6381 50 V 3.6754 7.9743 118.1698 66.0992 31.5345 177.8468 51 A 4.2473 8.3133 120.1350 55.2071 18.1671 179.6514 52 G 3.7330 8.8720 104.3060 48.1666 0.0000 175.2765 53 Y 3.9273 8.3323 122.3342 60.3415 38.8335 178.1738 54 K 4.0357 8.6524 119.4234 59.4855 32.1301 179.1570 55 A 4.0369 8.4533 121.2598 55.3948 18.1786 179.6383 56 E 3.8870 8.2909 116.0216 58.6393 29.4803 178.3395 57 N 4.6745 7.5805 113.5882 51.7319 39.8240 174.5431 58 H 4.0229 7.4458 116.3591 56.6802 26.9982 174.7215 59 L 4.6519 8.0507 117.8635 52.5995 43.4007 175.9309 60 P 4.5380 0.0000 0.0000 62.3400 32.1601 176.6516 61 I 3.7067 8.5753 123.1523 64.3673 37.1152 176.4122 62 E 4.2576 7.9980 119.7602 55.7049 30.1484 176.0548 63 D 4.6233 8.5531 123.5139 51.6770 43.0416 175.7713 64 R 3.9457 8.4896 126.8564 58.8857 30.2350 178.7258 65 I 3.7448 7.7795 112.6721 64.0223 37.6792 177.9720 66 Q 3.9677 8.3867 121.4602 58.8759 28.8423 178.0236 67 E 3.9725 8.4784 119.8944 59.4734 29.4853 179.2706 68 E 3.9630 8.2677 118.6787 58.9621 29.5400 178.8206 69 K 3.7686 8.0748 119.8731 59.8240 32.0792 178.7496 70 V 3.5806 7.9361 118.0416 66.0420 31.2411 178.0699 71 I 3.7084 7.6668 118.2312 64.5513 37.0698 177.9450 72 N 4.4786 8.3813 116.3726 56.1554 38.5876 176.9647 73 S 4.2890 8.5280 114.8228 61.3914 62.3905 177.2003 74 A 4.2491 8.0770 120.0054 52.6851 17.8693 178.9458 *76 A 4.1865 7.9110 124.1824 53.8915 20.5757 180.1589 77 Q 4.0138 8.2719 114.6536 59.0608 28.5819 179.0136 78 A 4.0203 8.5166 122.2375 55.0376 18.2405 179.5513 79 E 4.1851 8.3582 118.1917 59.1438 29.4982 179.5920 80 S 4.2441 7.7421 112.0382 60.6309 62.8592 175.3575 81 L 4.6022 7.2969 121.4342 53.7863 41.9283 176.3992 82 G 3.9028 8.2110 107.0931 46.6308 0.0000 173.5842 83 L 4.8504 7.8255 119.0042 52.2304 43.7612 175.9524 84 N 4.6881 8.4682 121.5228 56.5002 39.4576 174.3580 85 G 4.2524 8.3308 114.5009 43.6461 0.0000 176.5087 86 E 4.0688 9.0241 126.1549 58.4516 28.8674 178.1067 87 S 4.2092 8.5793 114.1492 60.7896 62.7635 175.7108 88 I 4.1127 7.5016 122.7703 62.2237 36.9875 177.6866 89 K 3.9269 7.5250 120.2740 59.2578 32.3888 176.6409 90 P 4.4478 0.0000 0.0000 65.1664 31.1229 178.2204 91 L 4.5589 7.4077 115.8407 55.3263 41.7721 178.5020 *93 V 3.9564 7.9716 118.0305 62.4021 33.1702 177.3328 94 A 4.1845 8.0096 121.3240 55.1895 18.0531 179.7436 95 Q 3.9598 8.2047 116.6299 59.2080 28.8121 178.8366 96 I 3.7294 7.7494 120.3031 64.3926 37.1227 178.0296 97 N 4.3180 8.7356 117.3456 56.3817 38.4401 177.1000 98 A 4.0048 8.2398 121.9666 55.3481 18.4386 179.5925 99 A 3.9684 8.1232 119.0665 55.2572 18.4795 180.0605 100 K 3.7230 8.5294 117.2868 59.2514 32.0653 179.3718 101 A 4.1413 8.4199 121.5200 55.2704 18.3446 179.6564 102 I 3.6943 7.5620 119.4400 64.0921 37.2037 178.5207 103 Q 4.0715 8.0396 118.6434 59.4143 28.5638 178.8031 104 Y 4.3009 8.3593 117.7791 61.3079 37.8773 179.0441 105 R 3.8275 7.9966 118.9300 59.1887 29.9906 178.7257 106 Y 3.2783 7.5534 116.4817 60.8419 37.4960 178.7264 107 R 4.0637 7.7467 117.3685 59.2472 30.3312 178.7149 108 A 4.1494 7.9312 120.3716 55.3987 18.4297 179.4969 109 D 4.2908 8.0096 117.4379 57.2854 40.6656 179.0363 110 W 4.9879 8.0597 119.8075 58.6737 28.9985 178.2727 111 L 4.2550 7.7275 119.3770 57.4139 41.2282 178.1317 112 S 4.6829 8.0710 110.1962 58.7104 64.0694 174.2739 113 Q 4.5434 8.5237 120.8045 52.8356 29.2502 171.9396 114 P 4.4152 0.0000 0.0000 63.6166 32.1575 176.7484 115 E 3.8592 9.0164 118.0681 56.8743 27.1737 175.4271 116 P 4.2285 0.0000 0.0000 65.8413 31.4692 178.5233 117 G 3.6325 7.9783 103.7636 46.6669 0.0000 173.3227 118 W 4.2703 7.7529 129.8627 57.1688 29.6481 175.3357 119 Q 4.1841 7.5418 125.7216 52.9802 28.9749 174.2982 120 P 4.1885 0.0000 0.0000 61.9036 31.9196 177.1042 121 K 4.1235 8.9082 123.2118 55.3932 32.8688 175.7793 122 P 4.2879 0.0000 0.0000 62.6710 32.8142 177.6011 123 L 3.6393 7.2983 123.6816 57.9366 41.9895 178.9268 124 D 4.2751 7.7223 118.7069 56.5639 39.4309 178.2260 125 D 4.2586 7.8583 119.8483 57.0076 40.8174 178.7538 126 V 3.4407 7.7064 118.7271 66.0048 31.4734 178.3167 127 R 3.7996 8.3714 118.0597 59.0233 29.7805 178.8977 128 A 3.9392 7.9598 120.6833 55.1090 18.3450 179.4633 129 N 4.0794 7.7717 114.5178 56.3807 38.4620 177.7300 130 I 3.6672 7.6756 121.5875 64.2993 37.1813 178.7583 131 G 3.5781 8.3580 106.9955 47.6934 0.0000 175.3962 132 E 3.9331 8.3339 121.7709 58.9927 29.6587 178.8629 133 L 4.0169 7.8704 119.0638 57.8137 41.6696 179.3852 134 S 4.1410 8.3833 115.5155 62.1136 62.7485 176.8706 135 T 3.8517 7.8348 117.9476 66.9104 68.1945 176.8409 136 K 4.0088 8.1758 120.0012 59.3334 31.9658 179.6235 137 I 3.7586 8.2718 120.7451 64.2383 36.9526 178.4048 138 L 4.0142 7.9188 119.7532 57.8533 41.5202 179.0634 139 E 3.9601 8.4022 118.8026 59.7971 29.4827 179.3428 140 Q 4.0336 8.3577 119.2833 59.3271 29.1102 178.4818 141 I 3.8002 8.0762 120.5494 64.3558 36.8522 178.2721 142 A 4.0026 8.3466 121.8898 55.2955 18.0126 179.4932 143 E 3.9467 8.4791 116.2964 59.6653 29.7990 179.1404 144 E 4.2203 8.3095 118.4990 58.8461 29.7784 179.2091 145 L 3.9341 8.0500 119.2065 57.8859 41.5476 179.6793 146 K 4.0985 7.5719 116.4469 59.1174 31.9440 177.8251 147 T 4.4300 7.2836 108.7711 62.9066 69.9275 173.4288 148 C 4.6679 8.3205 117.8952 55.3392 41.3049 173.4361 149 K 4.1330 8.5507 124.2488 55.9529 31.9915 174.7448 150 P 3.9730 0.0000 0.0000 65.7956 31.1163 177.2605 151 A 3.6522 7.5935 119.2654 55.8032 19.4752 176.7209 152 E 3.6597 7.5469 118.3017 56.0148 29.5377 177.8385 *154 G 3.8699 7.5384 107.4033 45.4618 0.0000 171.4184 155 D 4.9761 8.1739 122.5905 51.5050 43.1656 177.2854 156 K 2.5333 8.0757 118.4134 59.2181 32.0623 178.3591 157 A 3.9174 7.8974 120.5888 55.8189 18.1674 179.2538 158 H 4.0476 9.0074 114.8359 58.8804 28.7573 178.0150 159 F 3.8077 8.3781 119.7044 60.5213 38.4774 177.8624 160 I 3.6892 7.8560 118.7232 64.3281 37.0141 177.5643 161 N 4.3712 8.1335 116.9700 57.1253 38.8098 176.7240 162 T 4.1650 7.7992 115.9597 65.2830 69.4294 175.7335 163 I 4.4311 7.3998 123.0729 58.4481 36.3082 173.4186 164 R 4.5426 8.3950 122.2997 54.2169 32.3034 174.8368 165 Q 4.5884 8.2788 122.7981 54.0214 32.9591 174.2500 166 H 4.1288 8.5192 120.4658 57.8125 30.3964 175.0726 167 N 4.2070 8.8156 122.0053 52.8682 35.4878 172.9376 168 L 4.7421 7.4923 119.6635 53.1983 44.4416 176.5423 169 T 4.4831 8.8632 116.9604 60.1003 72.1807 175.9637 170 S 4.0795 8.4247 116.2864 61.7396 62.7869 176.6620 171 A 4.0236 8.0423 122.8391 55.3129 17.9190 179.1861 172 D 4.3229 8.0165 116.9590 57.6402 40.8735 179.3095 173 V 3.6968 7.7700 118.5665 66.1061 31.5775 177.8710 174 E 4.0810 8.7220 118.5869 59.3767 29.1409 179.1754 175 A 4.0639 8.2148 120.8627 55.2139 18.4421 179.7912 176 I 3.7771 7.6877 118.4044 64.3795 37.0716 178.2643 177 F 3.9159 8.6260 121.9855 61.4081 39.0151 177.1981 178 S 3.8668 7.8173 112.6277 61.7402 63.0206 176.2535 179 T 4.1757 7.7649 113.4139 64.3833 68.4683 176.4695 180 F 4.2460 8.2900 123.5472 61.0787 39.1885 176.1176 181 N 4.3938 7.5058 113.1013 53.7406 38.2513 175.2710 182 Q 4.4461 7.4089 117.1961 55.4049 29.4213 175.8841 183 V 3.9382 7.1637 119.1673 63.3012 32.3604 175.3095 184 K 4.6563 8.4232 123.6441 55.2617 36.1083 175.3916 185 L 4.5150 8.4581 121.7933 54.1479 42.6274 177.1478 186 K 3.9356 8.0318 121.9765 56.7494 34.3096 174.4317 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 32 Q 8.34 4.27 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 33 C 8.78 3.87 0.00 3.11 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 34 G 10.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.22 4.38 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 36 T 7.83 3.95 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 37 A 7.69 3.35 0.39 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 38 P 0.00 4.07 0.00 2.12 2.08 0.00 3.49 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 39 L 7.46 4.02 0.00 1.91 1.72 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.54 3.70 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.57 0.91 0.00 0.00 41 N 8.27 4.39 0.00 2.79 2.90 0.00 0.00 7.25 8.51 0.00 0.00 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 8.18 4.01 0.00 2.09 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 2.57 2.47 0.00 43 R 8.10 4.09 0.00 2.07 2.12 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 44 L 7.70 4.17 0.00 1.83 1.74 0.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.56 4.21 0.00 3.82 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 46 Y 7.49 4.34 0.00 3.30 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 *48 K 7.67 3.85 0.00 1.27 1.51 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 49 D 8.45 4.88 0.00 3.18 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 50 V 7.97 3.68 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 1.20 0.00 0.00 1.00 0.00 0.00 51 A 8.31 4.25 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.87 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 0.00 0.00 0.00 53 Y 8.33 3.93 0.00 3.19 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 54 K 8.65 4.04 0.00 2.09 2.15 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.79 7.81 55 A 8.45 4.04 1.59 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 0.00 0.00 56 E 8.29 3.89 0.00 1.83 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 2.21 2.39 0.00 57 N 7.58 4.67 0.00 2.64 2.74 0.00 0.00 7.23 8.07 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 58 H 7.45 4.02 0.00 3.24 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.05 4.65 0.00 1.68 1.65 1.11 0.92 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 60 P 0.00 4.54 0.00 2.28 2.05 0.00 3.74 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 2.07 2.15 0.00 61 I 8.58 3.71 1.40 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 1.32 0.40 0.12 0.00 0.00 62 E 8.00 4.26 0.00 2.05 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 2.33 2.50 0.00 63 D 8.55 4.62 0.00 2.74 2.49 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 0.00 0.00 0.00 0.00 64 R 8.49 3.95 0.00 1.88 1.98 0.00 3.37 0.00 0.00 3.63 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 65 I 7.78 3.74 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 1.53 0.69 0.92 0.00 0.00 66 Q 8.39 3.97 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 67 E 8.48 3.97 0.00 2.18 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 2.34 2.52 0.00 68 E 8.27 3.96 0.00 2.08 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 2.48 2.46 0.00 69 K 8.07 3.77 0.00 1.95 2.03 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 70 V 7.94 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 1.07 0.00 0.00 1.01 0.00 0.00 71 I 7.67 3.71 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 1.54 0.77 0.92 0.00 0.00 72 N 8.38 4.48 0.00 2.76 2.88 0.00 0.00 7.03 7.50 0.00 0.00 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 S 8.53 4.29 0.00 3.86 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.08 4.25 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 *76 A 7.91 4.19 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 77 Q 8.27 4.01 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 78 A 8.52 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.19 0.00 2.16 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 2.40 2.17 0.00 80 S 7.74 4.24 0.00 4.01 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 81 L 7.30 4.60 0.00 1.72 1.72 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.21 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 83 L 7.83 4.85 0.00 1.79 1.55 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.47 4.69 0.00 2.68 2.87 0.00 0.00 7.45 7.71 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 85 G 8.33 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 0.00 0.00 0.00 0.00 86 E 9.02 4.07 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 87 S 8.58 4.21 0.00 4.08 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 88 I 7.50 4.11 2.04 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 1.53 1.23 0.93 0.00 0.00 89 K 7.53 3.93 0.00 1.79 1.92 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 90 P 0.00 4.45 0.00 2.20 2.09 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 91 L 7.41 4.56 0.00 1.77 1.80 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *93 V 7.97 3.96 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 0.84 0.00 0.00 1.00 0.00 0.00 94 A 8.01 4.18 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 95 Q 8.20 3.96 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 96 I 7.75 3.73 2.03 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 1.65 0.66 0.92 0.00 0.00 97 N 8.74 4.32 0.00 2.91 2.91 0.00 0.00 6.92 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 98 A 8.24 4.00 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 99 A 8.12 3.97 1.43 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 0.00 0.00 0.00 0.00 0.00 100 K 8.53 3.72 0.00 1.89 1.63 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.57 7.81 101 A 8.42 4.14 1.42 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 0.00 0.00 0.00 0.00 0.00 102 I 7.56 3.69 2.04 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 1.48 1.37 1.05 0.00 0.00 103 Q 8.04 4.07 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 104 Y 8.36 4.30 0.00 3.12 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 0.00 105 R 8.00 3.83 0.00 1.69 1.67 0.00 3.20 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 106 Y 7.55 3.28 0.00 2.56 1.43 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 0.00 0.00 0.00 107 R 7.75 4.06 0.00 2.02 2.13 0.00 3.63 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 108 A 7.93 4.15 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 0.00 109 D 8.01 4.29 0.00 2.44 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 0.00 110 W 8.06 4.99 0.00 3.48 3.18 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 0.00 0.00 0.00 111 L 7.73 4.25 0.00 1.76 1.79 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.07 4.68 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 0.00 113 Q 8.52 4.54 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 114 P 0.00 4.42 0.00 2.15 2.03 0.00 3.99 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 115 E 9.02 3.86 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 116 P 0.00 4.23 0.00 2.05 2.11 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 117 G 7.98 3.63 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 0.00 118 W 7.75 4.27 0.00 3.27 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.54 4.18 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 120 P 0.00 4.19 0.00 2.15 2.37 0.00 3.57 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 121 K 8.91 4.12 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.29 7.81 122 P 0.00 4.29 0.00 2.09 1.95 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 123 L 7.30 3.64 0.00 0.27 1.04 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.72 4.28 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 0.00 125 D 7.86 4.26 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.71 3.44 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.97 0.00 0.00 127 R 8.37 3.80 0.00 1.86 1.89 0.00 3.09 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 128 A 7.96 3.94 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 0.00 129 N 7.77 4.08 0.00 2.34 1.88 0.00 0.00 7.04 6.71 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 0.00 130 I 7.68 3.67 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 1.46 0.49 0.90 0.00 0.00 131 G 8.36 3.58 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 0.00 132 E 8.33 3.93 0.00 2.01 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 2.30 2.34 0.00 133 L 7.87 4.02 0.00 1.90 1.73 0.97 1.12 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 0.00 134 S 8.38 4.14 0.00 3.97 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 0.00 135 T 7.83 3.85 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 1.30 0.00 0.00 136 K 8.18 4.01 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.70 7.81 137 I 8.27 3.76 2.13 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 1.56 0.78 1.00 0.00 0.00 138 L 7.92 4.01 0.00 1.89 1.74 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.40 3.96 0.00 2.18 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 0.00 2.35 2.52 0.00 140 Q 8.36 4.03 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 141 I 8.08 3.80 2.15 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 1.80 0.90 0.90 0.00 0.00 142 A 8.35 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.48 3.95 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 144 E 8.31 4.22 0.00 2.12 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 2.39 2.67 0.00 145 L 8.05 3.93 0.00 1.86 1.69 0.79 0.73 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 0.00 146 K 7.57 4.10 0.00 1.89 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.56 7.81 147 T 7.28 4.43 4.38 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 1.28 0.00 0.00 148 C 8.32 4.67 0.00 3.00 3.03 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 0.00 149 K 8.55 4.13 0.00 1.70 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.62 7.81 150 P 0.00 3.97 0.00 2.09 2.06 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 151 A 7.59 3.65 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 0.00 152 E 7.55 3.66 0.00 2.21 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 2.34 2.39 0.00 *154 G 7.54 3.87 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 0.00 0.00 0.00 155 D 8.17 4.98 0.00 2.98 2.89 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 0.00 156 K 8.08 2.53 0.00 1.49 1.61 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 0.98 7.81 157 A 7.90 3.92 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 0.00 158 H 9.01 4.05 0.00 3.48 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.38 3.81 0.00 2.88 2.99 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 0.00 160 I 7.86 3.69 1.95 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 1.51 0.68 0.88 0.00 0.00 161 N 8.13 4.37 0.00 2.59 2.76 0.00 0.00 7.34 7.43 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 0.00 162 T 7.80 4.17 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 1.09 0.00 0.00 163 I 7.40 4.43 1.91 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 1.23 0.23 0.88 0.00 0.00 164 R 8.39 4.54 0.00 1.70 1.73 0.00 3.18 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 165 Q 8.28 4.59 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 166 H 8.52 4.13 0.00 3.02 3.21 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.82 4.21 0.00 2.38 2.64 0.00 0.00 6.54 6.74 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 0.00 168 L 7.49 4.74 0.00 1.65 1.47 0.91 0.95 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 0.00 169 T 8.86 4.48 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 1.16 0.00 0.00 170 S 8.42 4.08 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 0.00 171 A 8.04 4.02 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 0.00 172 D 8.02 4.32 0.00 2.91 2.75 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 0.00 0.00 0.00 173 V 7.77 3.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.99 0.00 0.00 174 E 8.72 4.08 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 175 A 8.21 4.06 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 0.00 176 I 7.69 3.78 2.23 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 1.50 1.02 1.17 0.00 0.00 177 F 8.63 3.92 0.00 2.97 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 7.82 3.87 0.00 4.03 3.93 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 0.00 179 T 7.76 4.18 4.27 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 1.27 0.00 0.00 180 F 8.29 4.25 0.00 3.26 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 0.00 181 N 7.51 4.39 0.00 2.53 2.58 0.00 0.00 6.83 7.63 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 0.00 182 Q 7.41 4.45 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 183 V 7.16 3.94 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 0.72 0.00 0.00 0.91 0.00 0.00 184 K 8.42 4.66 0.00 1.77 1.77 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.39 7.81 185 L 8.46 4.51 0.00 1.53 1.63 0.94 0.90 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 0.00 186 K 8.03 3.94 0.00 1.82 1.78 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.