NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 I 4.1289 8.0249 120.7897 60.8609 38.0067 174.1003 20 L 4.2335 8.0160 125.7941 52.1858 42.7653 174.9365 21 P 4.4701 0.0000 0.0000 62.9096 33.0599 176.0800 22 T 4.7725 8.0664 111.1567 59.1531 73.3274 175.2642 23 V 3.7382 8.3662 120.9633 65.9407 31.5552 178.5415 24 G 3.6103 8.0080 105.1867 47.3597 0.0000 175.3126 25 L 4.3512 7.4030 124.5056 57.1801 42.1362 179.2272 26 G 3.7642 8.1941 105.7497 48.0367 0.0000 175.8984 27 R 4.0570 8.2958 120.6203 58.8615 29.7799 179.1221 28 E 3.9489 8.2154 118.4825 59.7608 29.4362 178.9890 29 Y 4.1898 7.8910 116.6925 60.8358 37.8372 178.4733 30 L 3.9002 8.1387 121.4342 58.1183 42.1805 179.3022 31 V 3.5467 7.8448 118.1478 65.7843 31.4357 177.6129 32 L 4.0132 8.2515 120.5268 58.1184 41.9288 179.0032 33 G 3.6575 8.3461 105.8469 48.0535 0.0000 175.7508 34 K 3.9196 7.8938 121.3356 58.6733 31.8922 179.3484 35 L 3.7449 7.9952 120.7592 58.0623 42.0763 178.9516 36 L 3.8142 7.9628 119.0766 57.7387 41.4602 179.6167 37 I 3.5601 7.5726 119.6190 64.3553 36.9832 178.5065 38 S 3.6356 7.5517 115.7595 61.4479 62.6936 176.6255 39 L 3.2646 7.0988 121.3671 57.8390 41.3563 179.9454 40 S 4.0020 7.7623 114.6917 61.5758 62.7438 177.0174 41 K 4.0158 8.0120 121.2273 59.0197 31.6421 179.5415 42 W 4.3464 8.2850 119.8511 59.7790 28.6556 178.5308 43 R 3.9460 7.9882 118.2332 59.4260 29.3093 178.4802 44 A 4.0024 7.8497 119.4702 54.8969 18.5155 179.1350 45 K 4.2213 8.1279 114.6701 56.9677 32.3488 178.2204 46 G 3.9347 7.4891 107.2313 45.5810 0.0000 174.7236 47 L 4.0407 8.1506 121.5260 56.5576 41.7704 177.6659 48 I 4.2339 7.4400 117.8179 59.6376 39.0553 174.9659 49 D 4.7747 8.4358 123.2739 53.9213 41.2357 176.0051 50 F 4.9946 6.5789 113.1235 54.6703 40.9781 173.9676 51 D 4.4434 8.7834 121.9244 54.2062 41.4137 176.4023 52 V 4.8577 7.9394 116.2878 59.8391 34.2339 174.8233 53 Y 4.7285 9.1734 120.1693 56.5107 41.5360 176.4164 54 L 4.6973 8.3478 125.4682 53.5868 40.6493 175.9707 *68 Y 4.2697 7.3204 118.2684 57.3550 40.1313 173.7491 69 E 4.3758 7.8229 126.4871 54.8501 29.9747 175.6490 70 Y 4.0530 8.7284 122.6199 59.2060 38.9529 175.5671 71 Y 3.7608 8.4843 120.8288 58.9903 35.7715 172.3855 72 K 4.0627 8.1827 122.3692 59.3090 32.7160 178.7080 73 G 3.9420 8.0331 106.0320 47.4113 0.0000 174.1154 74 L 3.7153 7.4163 118.6206 55.1632 41.9617 176.4550 75 E 4.1884 7.6984 121.0738 57.5501 29.8022 176.0556 76 D 4.5531 8.8640 123.8452 55.2132 38.4384 174.6702 77 K 3.9518 7.8311 120.5637 57.5997 32.5620 176.4883 78 Y 5.0428 7.3551 113.6704 55.7296 41.5099 175.1892 79 D 4.6410 8.7266 121.3658 57.0439 41.5161 177.1903 80 L 4.8337 8.6339 119.8084 53.5404 45.8087 175.1622 81 T 4.5941 8.6196 121.8889 61.6311 71.1860 173.4246 82 L 4.5646 8.3338 127.0336 53.7715 43.2106 175.6910 83 Y 5.1182 9.4576 122.7451 56.5642 40.7475 174.8598 84 I 5.3346 8.8982 113.7702 59.3567 41.7646 174.8350 85 R 4.1030 8.8650 122.5956 55.5034 30.2974 176.5445 86 A 4.1932 8.4653 127.3732 54.2170 18.6987 177.3120 87 K 4.5470 7.2928 115.1736 55.8727 38.5773 175.3540 88 D 4.8427 8.4251 116.7273 53.9083 42.4837 175.9738 89 S 4.9494 7.6170 115.1322 56.8142 66.2686 172.0658 90 Y 5.2318 8.5414 118.8622 56.4424 40.6119 174.6164 91 Y 4.9779 9.1404 124.6454 54.9129 41.8369 172.6408 92 P 3.6583 0.0000 0.0000 62.7631 31.3734 175.5238 93 L 3.9700 8.3253 127.3868 56.3501 42.9751 176.4529 94 L 4.6458 6.8130 116.4940 52.4063 46.4658 175.2200 95 W 4.9007 8.8517 120.7427 54.8766 32.2749 174.7363 96 I 4.9221 9.2816 125.0314 59.4354 40.4997 173.7489 97 D 5.2147 9.0328 126.4848 52.5466 43.5558 174.7514 98 I 4.5154 9.1911 127.8645 60.8742 38.2412 175.4316 99 T 4.1477 9.1437 125.2697 62.9051 69.2290 174.1220 100 G 3.6193 9.1933 118.4513 47.3499 0.0000 173.2194 101 S 4.5347 8.3279 113.9029 57.4892 64.4758 174.6925 102 S 4.1605 9.1392 119.9455 56.8468 63.8338 174.2819 103 W 4.1070 8.4781 131.2044 60.1450 30.8528 177.4855 104 T 3.9813 7.9089 108.5506 63.9525 68.8531 176.6301 105 E 3.8875 8.1488 119.6518 57.8734 29.5359 176.9695 106 E 4.0828 7.9141 116.9138 55.6536 29.6221 174.5265 107 Q 2.9313 7.8861 120.4075 56.7220 28.1786 173.3375 *113 G 3.8878 8.2095 112.7206 45.2712 0.0000 171.0231 114 E 4.1020 8.5882 123.4638 55.7233 30.7302 176.8265 115 S 4.2902 8.5080 120.2099 58.3249 63.8447 172.4991 116 I 4.9649 8.6835 127.5467 59.7111 40.1999 173.9809 117 Y 4.9619 8.9224 123.2821 56.1434 40.9739 174.4050 118 A 5.1567 8.9049 125.4852 50.7648 20.7835 176.2328 119 I 4.6866 8.8230 123.6268 59.0348 40.6339 175.5194 120 L 3.8431 8.7063 127.1426 54.7666 42.0892 178.0386 121 S 4.3476 8.6325 118.6174 61.5823 62.2125 176.4621 122 V 3.5687 7.7156 120.4575 65.9343 30.9073 177.9853 123 K 4.0493 7.9837 118.0261 59.3973 31.9015 179.5075 124 V 3.7923 7.7965 118.0887 65.9802 31.6220 177.7481 125 E 4.0451 8.5602 118.5965 59.7673 29.2519 179.5438 126 T 3.9760 8.1185 115.6118 66.6145 68.4624 176.6209 127 A 3.9832 7.9116 122.5074 54.8151 18.3190 179.6995 128 K 3.8716 8.1230 118.3222 59.4744 32.1154 178.8605 129 K 3.8563 7.9915 118.6513 59.6211 32.2596 177.3840 130 Y 4.3151 8.1227 114.8706 56.5011 38.7160 174.9332 131 D 4.5410 7.9204 118.3936 55.4345 40.0922 173.5677 132 V 4.4660 8.2215 113.1715 62.4522 33.1272 177.0839 133 L 3.8739 8.3313 120.6019 57.3515 41.5998 179.5684 134 G 3.7470 7.9461 104.7805 47.0480 0.0000 173.8874 135 R 4.3501 7.5519 118.1544 55.7844 31.8249 175.5938 136 V 4.3598 7.1519 120.6058 61.1528 33.3569 174.1559 137 F 5.0991 8.8514 127.1246 55.6144 42.3651 174.4734 138 F 5.4416 9.2689 121.1819 55.9566 41.7344 174.7985 139 I 5.6237 9.2055 123.3209 60.0035 41.1491 174.1828 140 H 5.2926 9.0372 120.3743 54.1572 32.6414 171.1728 141 Y 4.8948 8.5018 120.1381 56.0958 40.8749 173.5990 142 N 4.5176 8.3956 126.3972 52.6256 39.6175 175.5061 143 D 3.9791 8.5182 127.1659 57.5001 41.4262 178.0019 144 T 3.9756 7.9218 107.7497 64.6654 68.7635 175.1447 145 E 4.0033 7.9913 119.2347 56.1163 30.5261 175.4902 146 D 4.4100 7.3307 116.8630 52.8483 39.8900 172.6694 147 K 4.6725 6.7800 118.7402 55.3634 36.1488 175.2154 148 L 4.7880 8.7796 126.5236 54.8477 42.5977 176.4689 149 K 5.0743 9.3484 122.0690 54.7635 36.0285 174.9924 150 C 5.9293 10.2888 118.0927 57.0928 33.8470 172.4978 151 I 4.7464 8.5329 118.3890 60.0135 41.4160 174.2287 152 S 4.4010 8.4583 122.8762 56.8677 64.8097 174.9066 153 A 4.0022 8.3126 123.6166 55.0784 17.9537 179.9197 154 L 3.7750 7.6840 118.8785 58.5455 42.1067 179.1974 155 Q 3.8758 8.0535 119.2987 58.8316 28.8881 178.1080 156 I 3.3589 7.4279 121.0111 64.3190 37.1411 178.3364 157 L 3.8993 7.5114 119.4797 57.6947 41.4057 179.1727 158 N 4.2550 8.0955 117.0481 56.7013 38.8136 177.0248 159 L 3.8649 8.1129 120.7396 57.4540 41.5703 179.1440 160 E 4.2329 7.9628 120.9055 58.8280 29.3916 179.0275 161 R 3.9742 7.8194 117.1501 59.1084 30.2095 178.1799 162 Q 4.2205 7.7106 114.3353 55.1688 29.0474 175.4278 163 N 4.2475 7.7670 116.4378 54.3116 36.7915 175.5919 164 K 4.3139 8.2755 119.2884 57.5935 32.6676 177.0569 165 I 4.9493 7.3524 110.2603 59.0953 41.1915 174.5695 166 K 4.7322 8.3136 120.2660 54.5151 36.6952 175.9168 167 K 4.1175 8.4040 122.2214 56.6499 32.9801 176.2781 168 D 4.7266 8.4516 122.2150 53.0046 45.6929 175.5334 169 K 4.2743 8.5305 121.6806 56.1450 32.9832 177.0601 *176 S 4.1172 8.2886 116.1493 58.3549 63.5502 173.8883 177 E 4.5291 8.2827 125.0620 56.4630 31.0753 175.6354 178 Y 5.1212 8.9909 119.6607 56.4766 42.5749 174.1039 179 Y 4.7070 9.3301 122.0383 57.4521 39.4306 174.5956 180 L 4.8281 8.0881 125.3353 53.8831 42.7275 176.6723 181 I 4.8093 8.9187 126.4591 58.5197 40.0240 174.0430 182 P 4.8069 0.0000 0.0000 62.6921 32.1099 177.5415 183 T 3.9953 8.6720 115.0469 65.0756 67.4926 176.6684 184 S 4.2753 8.7683 115.9619 61.1936 63.0691 175.1187 185 Y 4.6313 7.7167 117.5502 59.8876 37.9337 175.9524 186 W 4.5604 8.1363 118.9603 56.5081 29.6983 175.6420 187 K 5.0048 9.5582 120.7224 54.2996 36.2501 175.7447 188 N 4.8316 8.6802 119.0275 52.6468 38.7460 175.9195 189 L 4.3036 8.7544 118.4376 56.6528 41.6386 179.2752 190 T 3.6140 7.5684 116.8634 66.5778 68.3646 175.5459 191 E 3.9345 7.9674 120.7155 59.3834 29.6212 178.7492 192 L 3.1564 7.5944 119.6548 57.7799 42.1278 178.6515 193 R 3.4920 7.8061 118.7748 59.3311 29.8113 178.6125 194 I 3.6385 7.7625 119.3772 64.2283 36.9969 178.2692 195 A 4.1415 8.0904 121.7043 55.0455 18.3639 179.2926 196 L 4.0926 8.3784 119.2519 58.6017 42.2154 179.5722 197 R 4.4049 8.2107 118.0163 59.2288 30.0566 179.3241 198 G 3.5134 8.3410 105.5944 48.0410 0.0000 175.9124 199 F 4.3747 8.5577 120.9681 59.7880 38.7989 177.3418 200 Y 4.0211 8.0750 119.2158 60.8065 38.4904 177.8960 201 Q 3.8357 8.2850 120.4500 59.0600 29.0941 178.3798 202 S 4.0983 8.1409 116.3830 61.6261 62.8523 176.3353 203 F 4.2749 8.2824 123.0515 60.5319 38.8881 177.2834 204 K 3.4025 7.6711 119.0097 59.0891 31.9011 177.9989 205 E 3.9645 7.5998 118.6716 58.9967 29.6422 177.5385 206 Y 4.0816 7.5229 118.9463 60.4832 38.8773 175.9057 207 L 3.9084 7.0115 122.9021 54.8344 41.6713 176.5798 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 19 I 8.02 4.13 1.90 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 1.45 1.39 0.93 0.00 0.00 20 L 8.02 4.23 0.00 1.77 1.59 0.93 0.83 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 21 P 0.00 4.47 0.00 2.05 2.00 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 22 T 8.07 4.77 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 1.23 0.00 0.00 23 V 8.37 3.74 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 1.05 0.00 0.00 0.94 0.00 0.00 24 G 8.01 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.40 4.35 0.00 1.85 1.75 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.19 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 0.00 0.00 0.00 27 R 8.30 4.06 0.00 2.07 2.07 0.00 3.39 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 28 E 8.22 3.95 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 29 Y 7.89 4.19 0.00 3.25 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 30 L 8.14 3.90 0.00 1.89 1.82 0.88 0.20 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 31 V 7.84 3.55 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 0.99 0.00 0.00 1.18 0.00 0.00 32 L 8.25 4.01 0.00 1.87 1.88 0.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.35 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.89 3.92 0.00 1.87 1.79 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.64 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.38 1.22 7.81 35 L 8.00 3.74 0.00 1.79 1.77 0.78 0.45 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 36 L 7.96 3.81 0.00 1.79 1.60 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.57 3.56 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.81 0.00 0.00 38 S 7.55 3.64 0.00 3.40 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.10 3.26 0.00 1.52 1.48 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.76 4.00 0.00 3.88 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 41 K 8.01 4.02 0.00 1.81 1.86 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 42 W 8.28 4.35 0.00 3.38 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 43 R 7.99 3.95 0.00 1.86 2.01 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 44 A 7.85 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 45 K 8.13 4.22 0.00 1.87 1.89 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.54 7.81 46 G 7.49 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 0.00 0.00 0.00 47 L 8.15 4.04 0.00 1.67 1.52 0.81 0.94 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 48 I 7.44 4.23 1.58 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 -0.39 0.00 0.00 49 D 8.44 4.77 0.00 2.79 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 50 F 6.58 4.99 0.00 2.79 2.63 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 51 D 8.78 4.44 0.00 2.94 2.33 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 52 V 7.94 4.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.84 0.00 0.00 53 Y 9.17 4.73 0.00 3.11 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 54 L 8.35 4.70 0.00 1.64 1.67 0.91 0.80 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 *68 Y 7.32 4.27 0.00 2.86 2.81 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 69 E 7.82 4.38 0.00 1.77 1.85 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 2.27 2.25 0.00 70 Y 8.73 4.05 0.00 3.32 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 71 Y 8.48 3.76 0.00 3.51 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 72 K 8.18 4.06 0.00 1.84 1.78 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.60 7.81 73 G 8.03 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 74 L 7.42 3.72 0.00 1.62 1.07 -0.75 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.70 4.19 0.00 2.08 1.95 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 2.37 2.37 0.00 76 D 8.86 4.55 0.00 2.86 2.76 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 77 K 7.83 3.95 0.00 1.36 0.98 0.00 1.40 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.19 7.81 78 Y 7.36 5.04 0.00 3.01 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 79 D 8.73 4.64 0.00 2.79 2.76 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 80 L 8.63 4.83 0.00 1.71 1.44 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.62 4.59 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 -0.02 0.00 0.00 82 L 8.33 4.56 0.00 1.33 1.53 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 9.46 5.12 0.00 3.22 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 84 I 8.90 5.33 2.26 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.06 1.21 0.00 0.00 85 R 8.86 4.10 0.00 1.86 1.77 0.00 3.17 0.00 0.00 2.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 86 A 8.47 4.19 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 87 K 7.29 4.55 0.00 1.66 1.54 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.45 7.81 88 D 8.43 4.84 0.00 2.68 2.63 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 89 S 7.62 4.95 0.00 3.92 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 90 Y 8.54 5.23 0.00 2.65 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.14 4.98 0.00 3.01 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 92 P 0.00 3.66 0.00 0.88 1.11 0.00 3.34 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 93 L 8.33 3.97 0.00 1.54 1.65 1.12 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 L 6.81 4.65 0.00 1.37 1.40 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 95 W 8.85 4.90 0.00 2.59 2.38 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 96 I 9.28 4.92 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.93 0.00 0.00 97 D 9.03 5.21 0.00 2.53 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 98 I 9.19 4.52 1.91 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 1.26 0.95 0.99 0.00 0.00 99 T 9.14 4.15 4.39 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 1.52 0.00 0.00 100 G 9.19 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 0.00 0.00 0.00 101 S 8.33 4.53 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 9.14 4.16 0.00 2.85 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 0.00 103 W 8.48 4.11 0.00 3.16 3.32 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 0.00 104 T 7.91 3.98 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 105 E 8.15 3.89 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 2.18 2.18 0.00 106 E 7.91 4.08 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.87 0.00 1.87 2.01 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 129 K 7.99 3.86 0.00 1.90 2.13 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.64 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.03 1.35 7.81 130 Y 8.12 4.32 0.00 3.01 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.92 4.54 0.00 2.80 2.76 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 0.00 132 V 8.22 4.47 1.78 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 0.52 0.00 0.00 0.70 0.00 0.00 133 L 8.33 3.87 0.00 1.71 1.72 0.90 0.82 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 G 7.95 3.75 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 0.00 0.00 0.00 135 R 7.55 4.35 0.00 1.71 1.84 0.00 2.21 0.00 0.00 2.66 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 136 V 7.15 4.36 1.73 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 0.19 0.00 0.00 0.46 0.00 0.00 137 F 8.85 5.10 0.00 2.94 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 0.00 138 F 9.27 5.44 0.00 2.90 3.24 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 0.00 139 I 9.21 5.62 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 1.01 0.00 0.00 140 H 9.04 5.29 0.00 2.90 2.68 0.00 5.43 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.50 4.89 0.00 3.08 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 0.00 142 N 8.40 4.52 0.00 2.72 2.48 0.00 0.00 6.78 8.10 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 0.00 143 D 8.52 3.98 0.00 2.62 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 0.00 144 T 7.92 3.98 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 0.00 145 E 7.99 4.00 0.00 1.91 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 2.28 2.25 0.00 146 D 7.33 4.41 0.00 2.86 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 0.00 147 K 6.78 4.67 0.00 1.87 1.57 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.51 7.81 148 L 8.78 4.79 0.00 1.65 1.65 0.92 0.91 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 0.00 149 K 9.35 5.07 0.00 1.08 1.72 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.28 7.81 150 C 10.29 5.93 0.00 3.22 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 0.00 151 I 8.53 4.75 1.03 0.00 0.00 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 0.95 1.07 -0.32 0.00 0.00 152 S 8.46 4.40 0.00 3.57 3.25 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 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3.97 0.00 1.97 1.96 0.00 3.18 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 162 Q 7.71 4.22 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 163 N 7.77 4.25 0.00 2.88 2.89 0.00 0.00 6.89 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.28 4.31 0.00 1.57 1.47 0.00 1.40 0.00 0.00 1.32 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.26 7.81 165 I 7.35 4.95 2.14 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 1.33 1.12 1.06 0.00 0.00 166 K 8.31 4.73 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.39 7.81 167 K 8.40 4.12 0.00 1.41 1.45 0.00 1.69 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.82 7.81 168 D 8.45 4.73 0.00 2.53 2.46 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 0.00 169 K 8.53 4.27 0.00 1.76 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.40 7.81 *176 S 8.29 4.12 0.00 3.98 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 0.00 177 E 8.28 4.53 0.00 1.77 1.69 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 2.33 2.28 0.00 178 Y 8.99 5.12 0.00 2.82 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 0.00 179 Y 9.33 4.71 0.00 2.87 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 0.00 180 L 8.09 4.83 0.00 1.38 1.51 0.45 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 181 I 8.92 4.81 2.37 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 1.09 0.00 0.00 182 P 0.00 4.81 0.00 2.15 2.11 0.00 4.03 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 1.35 1.81 0.00 183 T 8.67 4.00 4.46 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 1.30 0.00 0.00 184 S 8.77 4.28 0.00 3.93 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 0.00 185 Y 7.72 4.63 0.00 3.26 2.95 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 0.00 186 W 8.14 4.56 0.00 3.38 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 0.00 187 K 9.56 5.00 0.00 1.72 1.73 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 188 N 8.68 4.83 0.00 2.91 3.02 0.00 0.00 5.95 6.67 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 0.00 189 L 8.75 4.30 0.00 2.04 2.19 1.00 0.74 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 0.00 190 T 7.57 3.61 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 1.12 0.00 0.00 191 E 7.97 3.93 0.00 2.12 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 2.60 2.70 0.00 192 L 7.59 3.16 0.00 1.25 1.68 0.61 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 193 R 7.81 3.49 0.00 0.72 1.52 0.00 2.65 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 194 I 7.76 3.64 1.98 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 1.38 0.48 0.89 0.00 0.00 195 A 8.09 4.14 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.38 4.09 0.00 1.99 1.97 1.08 0.98 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 0.00 197 R 8.21 4.40 0.00 2.12 2.08 0.00 3.22 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 1.82 1.81 0.00 198 G 8.34 3.51 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 0.00 199 F 8.56 4.37 0.00 3.39 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 0.00 200 Y 8.07 4.02 0.00 2.84 2.95 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 0.00 201 Q 8.29 3.84 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 202 S 8.14 4.10 0.00 4.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 F 8.28 4.27 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 K 7.67 3.40 0.00 1.21 1.63 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.13 7.81 205 E 7.60 3.96 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 206 Y 7.52 4.08 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 0.00 207 L 7.01 3.91 0.00 1.25 1.32 0.48 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.