NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4641 8.3349 115.4108 57.9264 64.4732 173.1667 3 L 3.8864 8.2131 118.7691 56.2215 41.6864 175.8702 4 K 4.0650 7.6961 120.3154 58.0035 33.0937 176.2081 5 G 4.0649 8.8228 115.8976 45.1202 0.0000 173.7309 6 K 4.2947 8.0826 119.8392 56.4828 33.5318 176.5719 7 R 4.7613 9.3715 124.0691 55.1242 31.6637 175.5027 8 I 4.7708 8.8042 126.5852 59.1325 39.6171 175.9131 9 G 3.9883 8.7242 115.2938 46.1492 0.0000 172.8573 10 F 4.4223 9.3506 124.6183 56.3124 42.4872 173.3081 11 G 4.7841 8.9216 114.7921 45.4826 0.0000 171.4061 12 F 5.1721 8.8613 122.4573 55.5771 41.7389 174.6160 13 T 4.8793 7.7977 111.4379 60.0306 71.8264 175.1719 14 G 3.8140 8.8456 110.1499 44.3903 0.0000 172.5784 15 S 3.8743 8.2516 112.6123 58.3144 62.8199 175.3394 16 H 2.5800 8.0402 124.5145 58.5989 28.8226 176.3346 17 C 3.9700 7.6996 116.6560 63.0379 27.9139 175.6956 18 T 4.0605 7.1200 105.0530 63.2099 68.2316 174.2321 19 Y 4.7724 7.7872 120.5542 59.5573 38.4511 176.5791 20 E 4.2643 8.2896 118.7172 57.2068 29.7540 176.1329 21 E 4.5255 8.1601 116.8995 57.0407 31.2851 176.2026 22 V 4.4473 7.6731 113.1361 60.2098 30.9778 174.3530 *24 P 4.3716 0.0000 0.0000 62.7511 34.0113 179.3977 25 H 4.3640 8.0220 115.0438 58.4323 28.7290 177.1809 26 L 3.7223 7.9260 122.2364 58.2165 41.9070 178.6381 27 E 3.9384 8.1406 118.5539 59.2208 29.3104 178.7019 28 K 3.9664 8.1229 117.9041 59.4239 32.5734 178.7795 29 L 4.1885 8.1769 119.6293 57.9885 41.6130 179.7933 30 I 4.0940 7.9485 113.4886 63.4584 37.3218 178.0465 31 A 4.1012 8.0147 121.3881 54.0611 18.2471 178.0914 32 E 4.3215 7.6208 115.5977 56.0844 30.2222 176.6308 33 G 4.0041 8.1636 106.3339 45.6008 0.0000 173.5462 34 A 4.7167 7.8296 121.6436 51.5810 20.4420 176.2449 35 E 4.5186 8.9710 120.4350 55.5933 31.2570 175.6732 36 V 4.7399 8.5884 124.2994 61.3674 33.5508 175.0981 37 R 4.3214 8.8641 128.6642 53.8540 31.3253 173.9886 38 P 5.2841 0.0000 0.0000 62.4191 33.1368 176.0860 39 V 5.0330 9.5687 122.7444 60.2255 34.4923 174.5940 40 V 5.1256 8.6608 116.8829 59.5359 34.8988 176.8390 41 S 4.4246 8.7963 118.7299 60.1214 63.7272 173.6448 42 Y 4.6107 8.0081 117.8984 57.7071 41.3274 177.9526 *55 A 4.0629 8.8542 135.0000 53.3460 19.6221 178.6580 56 E 3.8982 8.5021 118.1104 60.7175 30.0052 178.5588 57 W 4.4053 8.0454 117.0899 59.3799 28.3110 178.3017 58 I 2.9202 5.9458 118.9256 63.4590 37.2923 177.8584 59 K 3.8690 7.2203 119.0523 59.1908 31.7163 179.2589 60 K 3.9205 7.7368 120.1272 59.5346 32.2255 179.0414 61 I 3.7242 7.6105 119.7228 64.3963 36.7861 178.3012 62 E 4.2906 8.2755 120.2305 58.3556 29.2768 178.6436 63 E 4.0804 7.9998 119.1142 58.9564 29.8574 178.3044 64 I 3.8335 7.8141 119.3341 63.7644 37.5270 176.8922 65 T 4.3207 7.0932 108.1711 61.1500 69.6571 174.5512 66 G 3.6237 8.4211 110.1554 45.4530 0.0000 173.3653 67 F 4.8909 7.6668 119.2805 54.7792 41.4085 175.3035 68 K 4.2788 8.6842 124.1492 56.0878 32.4538 176.9317 69 A 4.3563 8.8185 127.3935 52.0735 19.1185 177.3927 70 I 3.9290 8.4184 124.1493 61.5481 37.5007 176.4085 71 N 5.2151 8.7677 120.2689 51.4989 38.6646 174.4105 72 S 4.7515 7.6195 113.1538 56.1507 67.5265 174.6781 73 I 3.7082 8.2406 123.6009 64.6212 36.6319 178.8944 74 V 3.7765 7.7348 118.1320 65.6127 31.5626 177.8403 75 G 3.7044 7.9723 104.2228 46.8440 0.0000 175.0741 76 A 4.2450 7.7355 122.6638 54.4220 18.6699 179.1349 77 E 3.8778 7.9085 117.1080 59.4975 29.6082 177.8698 78 P 4.2400 0.0000 0.0000 65.2623 31.3252 178.1668 79 L 4.3181 8.0613 117.7444 57.2987 41.1499 178.5289 80 G 3.7766 8.1798 106.5673 46.2482 0.0000 173.2179 81 P 4.4580 0.0000 0.0000 63.7265 32.4743 177.2637 82 K 4.3558 8.1570 116.3572 57.2756 33.9497 176.6772 83 I 4.6316 7.5287 108.9367 58.5906 37.0514 173.6087 84 P 5.0920 0.0000 0.0000 63.0241 32.3231 176.9163 85 L 4.4532 8.0358 120.3200 54.0102 43.0732 176.3870 86 D 4.5377 8.6433 119.8087 57.2302 41.5166 176.4432 87 C 4.8174 7.3930 117.6587 59.2668 35.4658 172.3248 *89 V 4.0295 8.3554 115.4698 62.9106 32.8993 175.6614 90 I 4.4952 8.2304 127.2750 59.4838 40.1589 174.7337 91 A 4.4955 8.0700 128.5603 50.4780 21.9212 174.3067 92 P 4.6042 0.0000 0.0000 62.3218 33.8293 175.4017 93 L 4.7288 8.5255 124.4426 53.3771 43.2612 176.3504 94 T 4.6083 8.5616 117.2798 61.0352 69.5556 175.0094 95 G 3.9440 8.5245 110.3389 48.2126 0.0000 174.7745 96 N 4.4572 8.3251 118.3114 56.8232 39.1836 178.5185 97 S 4.4344 7.8299 113.6877 58.7613 62.4586 176.6159 *99 S 4.3688 8.3008 115.6380 58.4025 63.7952 175.6811 100 K 3.9878 8.0803 118.0124 59.5125 32.4379 178.2976 101 F 4.5911 8.9018 121.1105 61.3205 39.3687 177.1135 102 A 3.8206 8.0519 121.3047 54.5598 18.2452 177.5500 103 N 4.4619 7.7647 110.4535 52.4911 38.9434 172.1019 104 A 3.4261 7.4191 126.3268 52.1688 15.9811 177.7961 *106 T 4.2882 7.9090 112.1527 62.0735 70.2564 174.6700 107 D 4.9269 8.1932 119.3781 53.9774 39.7937 175.7421 108 S 4.6100 7.6425 111.9135 57.1249 66.0532 172.2393 109 P 4.3297 0.0000 0.0000 65.8364 31.6018 178.2441 110 V 3.6710 7.8555 117.4094 66.0269 31.7457 178.0736 111 L 3.7538 7.7272 117.6984 55.1193 41.2023 178.8049 *113 A 4.1866 8.1730 123.6837 52.2197 20.5197 179.8927 114 A 3.9420 7.8240 117.5988 54.9020 18.2517 179.8263 115 K 3.9572 8.2807 118.1075 59.6912 32.1346 179.0034 116 A 4.2380 7.9381 119.0907 54.9178 18.6547 179.2262 117 T 4.0899 7.6512 114.2196 66.5929 68.6963 177.2121 118 L 4.0426 8.2434 120.9941 57.4468 41.3216 179.2298 119 R 3.8920 8.0546 118.7173 59.4189 29.7156 177.1818 120 N 4.8581 7.9861 113.3720 52.2842 38.5070 175.8702 121 G 3.8657 7.9862 108.1067 46.3855 0.0000 174.2415 122 K 4.5479 7.1588 115.1640 53.7742 33.8771 174.7126 123 P 4.9590 0.0000 0.0000 62.8706 33.0300 175.0615 124 V 4.4323 8.8812 122.1481 61.0925 34.5718 174.1007 125 V 4.8308 8.2959 127.0014 61.0465 34.2883 173.7926 126 L 4.9035 8.5780 127.2516 52.7347 44.8243 175.3958 127 A 4.9852 8.5757 125.8568 49.8850 20.6362 176.1265 128 V 3.9235 8.2611 121.1447 63.1583 33.2517 175.9920 129 S 5.1217 8.4891 116.6343 57.8347 63.8554 172.3443 130 T 4.7639 7.9227 118.5563 59.9301 70.9011 173.0842 131 N 4.8536 8.9636 124.5775 53.4635 37.7004 174.7759 132 D 4.8596 7.8224 116.5214 53.0670 40.6331 177.0870 133 A 3.9460 8.2134 125.2647 55.3087 18.3153 179.5365 134 L 4.6827 8.0755 112.9182 54.7319 43.2229 177.8019 135 G 4.1685 7.6918 107.3538 44.5258 0.0000 177.5248 136 L 4.0624 8.7058 124.6675 57.2493 41.7645 177.4424 137 N 4.6825 8.1118 115.1395 54.1908 38.9238 176.5835 138 G 3.9947 7.7080 106.5400 47.7144 0.0000 175.3228 139 V 3.7420 7.7495 119.0442 65.7744 31.7731 177.4010 140 N 4.5130 8.0497 115.4659 56.1663 38.2515 177.4324 141 L 3.9792 7.4209 116.8684 56.1678 42.2483 177.4691 *143 R 4.3609 7.8233 117.9276 56.0594 31.6888 178.9711 144 L 4.0805 7.7502 118.7176 54.3682 40.4894 178.5665 *146 A 4.3036 7.9986 121.0159 51.8530 20.1667 177.8568 147 T 4.2614 7.5176 113.4102 61.9665 69.5124 174.6507 148 K 3.8869 8.3223 124.2052 58.2477 32.6583 176.7678 149 N 4.3899 8.8739 118.4117 53.6701 35.9470 173.0290 150 I 4.8560 6.7134 117.5601 59.6754 39.7550 174.7439 151 Y 5.1568 8.9549 123.0643 56.3009 42.5284 174.1489 152 F 5.2287 9.4655 120.3254 55.5544 41.8361 175.8577 153 V 4.1665 8.5781 117.3673 60.1039 32.1373 174.4120 154 P 4.5040 0.0000 0.0000 63.4982 32.3582 175.0868 155 F 5.3331 8.1647 117.4789 55.9733 42.1180 173.6122 156 G 5.0662 8.0190 103.6187 46.9193 0.0000 172.6903 157 Q 5.2769 8.9299 119.1768 55.9093 29.2973 176.9708 158 D 4.7881 8.9161 122.2868 53.9032 40.8945 176.9405 159 A 4.6145 7.5376 117.9988 50.7460 20.3242 174.4251 160 P 4.2376 0.0000 0.0000 64.4614 32.1446 178.5855 161 E 4.2394 7.9243 115.5831 57.7821 30.5143 177.4072 162 K 4.2282 7.8942 116.5732 58.5477 32.9895 177.7630 163 K 4.6921 8.3600 118.4666 54.3025 33.6264 174.7439 164 P 4.4205 0.0000 0.0000 64.3670 32.0807 177.2901 165 N 4.6740 8.0214 113.3985 53.1022 39.1611 174.5358 166 S 5.4060 7.7255 115.0121 56.8253 64.7094 172.5829 *168 V 4.4393 8.0929 119.7177 62.4128 32.5049 174.5290 169 A 4.6864 8.6980 129.1360 52.1020 19.3667 177.7900 170 R 4.1261 8.7987 120.3554 55.6860 31.2695 177.3918 *172 E 4.3703 8.4103 116.6511 56.3645 31.3129 177.5093 173 L 4.4759 7.8300 117.6413 54.2745 41.7864 177.7798 174 L 3.9030 7.7263 122.2539 58.4114 42.0197 178.6086 175 E 3.9717 8.1750 117.7547 59.7155 29.5833 179.0665 176 D 4.4005 8.0728 118.0693 57.2592 40.8817 178.9481 177 T 3.8894 7.7710 116.7337 66.4459 68.5040 176.8959 178 V 3.5236 7.9468 120.3897 65.9808 31.1871 177.9022 179 L 3.9292 7.9489 118.5043 58.0603 41.4369 179.4961 180 E 3.7435 7.9764 117.6034 59.2945 29.3259 179.3249 181 A 3.0197 8.0454 121.0684 54.7136 18.1105 179.6702 182 L 3.9404 7.8340 116.7263 57.2479 41.6621 178.6104 183 Q 4.4454 7.1399 115.7090 54.8735 28.8609 175.8186 184 G 4.1867 7.8411 107.7658 46.3352 0.0000 173.9202 185 K 4.6274 7.7480 117.8590 53.9220 35.0029 175.8465 186 Q 4.4041 8.6674 123.4492 54.7361 29.4466 175.3797 187 L 3.9698 8.6072 127.3319 55.7798 42.5120 175.9935 188 Q 4.7949 8.3664 123.8876 53.2342 31.8107 173.4880 189 P 4.5087 0.0000 0.0000 62.5803 32.5685 176.4769 190 V 3.8837 8.1532 119.2340 62.4776 33.3551 175.0918 191 V 4.1419 7.5209 121.0157 61.2270 32.5023 175.0122 192 V 4.4095 8.3514 120.8783 59.3222 36.1175 175.7763 193 E 4.7267 8.3825 122.5296 54.1698 28.0225 176.9374 194 K 3.8626 8.3109 124.2216 59.4268 32.6125 178.1993 195 F 4.5248 7.6612 111.5128 58.6417 37.9732 175.9242 196 R 4.2763 7.4618 119.7749 56.2162 30.1090 175.9996 197 Y 4.3135 7.9071 121.9962 58.2362 38.8717 175.0351 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 2 S 8.33 4.46 0.00 3.99 3.98 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 L 8.21 3.89 0.00 1.86 1.76 0.91 0.57 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 4 K 7.70 4.06 0.00 1.73 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 5 G 8.82 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 0.00 0.00 0.00 6 K 8.08 4.29 0.00 1.80 1.73 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.56 7.81 7 R 9.37 4.76 0.00 1.69 1.78 0.00 3.02 0.00 0.00 3.07 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 8 I 8.80 4.77 1.91 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 1.15 0.79 0.94 0.00 0.00 9 G 8.72 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 0.00 0.00 0.00 10 F 9.35 4.42 0.00 3.06 2.77 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 11 G 8.92 4.78 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 0.00 0.00 0.00 12 F 8.86 5.17 0.00 2.84 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 0.00 0.00 0.00 13 T 7.80 4.88 4.30 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 1.20 0.00 0.00 14 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 15 S 8.25 3.87 0.00 3.72 3.54 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 0.00 0.00 0.00 0.00 16 H 8.04 2.58 0.00 2.44 1.41 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.70 3.97 0.00 2.80 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 18 T 7.12 4.06 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 1.16 0.00 0.00 19 Y 7.79 4.77 0.00 2.96 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 20 E 8.29 4.26 0.00 1.94 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 2.32 2.40 0.00 21 E 8.16 4.53 0.00 2.03 2.03 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 2.28 2.31 0.00 22 V 7.67 4.45 2.32 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 0.97 0.00 0.00 1.33 0.00 0.00 *24 P 0.00 4.37 0.00 2.04 2.08 0.00 3.62 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 1.99 2.11 0.00 25 H 8.02 4.36 0.00 3.26 3.65 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.93 3.72 0.00 1.47 1.54 0.68 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.14 3.94 0.00 2.10 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 0.00 2.37 2.47 0.00 28 K 8.12 3.97 0.00 1.98 1.89 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 29 L 8.18 4.19 0.00 1.89 1.78 1.12 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 30 I 7.95 4.09 1.91 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 1.41 1.35 0.96 0.00 0.00 31 A 8.01 4.10 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 32 E 7.62 4.32 0.00 2.21 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 2.29 2.36 0.00 33 G 8.16 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 0.00 0.00 0.00 34 A 7.83 4.72 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 35 E 8.97 4.52 0.00 1.93 1.83 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 2.52 2.34 0.00 36 V 8.59 4.74 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 0.86 0.00 0.00 0.98 0.00 0.00 37 R 8.86 4.32 0.00 1.59 1.64 0.00 2.21 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.41 0.00 38 P 0.00 5.28 0.00 2.21 2.23 0.00 3.64 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 39 V 9.57 5.03 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 0.85 0.00 0.00 0.94 0.00 0.00 40 V 8.66 5.13 2.48 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 1.11 0.00 0.00 1.00 0.00 0.00 41 S 8.80 4.42 0.00 4.05 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 42 Y 8.01 4.61 0.00 3.25 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 0.00 0.00 0.00 *55 A 8.85 4.06 1.03 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 56 E 8.50 3.90 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.93 0.00 57 W 8.05 4.41 0.00 3.66 3.37 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 58 I 5.95 2.92 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.03 0.30 0.00 0.00 59 K 7.22 3.87 0.00 1.76 1.76 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.59 7.81 60 K 7.74 3.92 0.00 1.79 1.97 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.48 7.81 61 I 7.61 3.72 1.89 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.92 0.00 0.00 62 E 8.28 4.29 0.00 1.96 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 2.26 0.00 63 E 8.00 4.08 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 64 I 7.81 3.83 1.87 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 1.57 0.91 0.91 0.00 0.00 65 T 7.09 4.32 4.67 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 1.31 0.00 0.00 66 G 8.42 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 67 F 7.67 4.89 0.00 3.04 2.96 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 68 K 8.68 4.28 0.00 1.79 1.77 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.40 7.81 69 A 8.82 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.42 3.93 1.89 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 1.36 0.91 0.95 0.00 0.00 71 N 8.77 5.22 0.00 2.93 2.86 0.00 0.00 5.99 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.62 4.75 0.00 4.00 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 73 I 8.24 3.71 1.86 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 1.27 0.90 0.00 0.00 74 V 7.73 3.78 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 0.85 0.00 0.00 0.93 0.00 0.00 75 G 7.97 3.70 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 0.00 0.00 0.00 76 A 7.74 4.25 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 E 7.91 3.88 0.00 2.13 2.03 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 2.33 2.61 0.00 78 P 0.00 4.24 0.00 2.14 2.12 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 79 L 8.06 4.32 0.00 2.06 1.70 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.18 3.78 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 0.00 0.00 0.00 81 P 0.00 4.46 0.00 2.19 2.18 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 82 K 8.16 4.36 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 83 I 7.53 4.63 1.84 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 0.64 0.91 0.00 0.00 84 P 0.00 5.09 0.00 2.19 2.09 0.00 3.43 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 85 L 8.04 4.45 0.00 1.61 1.78 nan 0.99 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 86 D 8.64 4.54 0.00 2.65 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 87 C 7.39 4.82 0.00 2.93 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 *89 V 8.36 4.03 1.50 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 0.06 0.00 0.00 0.75 0.00 0.00 90 I 8.23 4.50 1.56 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.23 0.72 0.00 0.00 91 A 8.07 4.50 0.97 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 0.00 0.00 92 P 0.00 4.60 0.00 2.18 2.04 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 93 L 8.53 4.73 0.00 1.71 1.57 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.56 4.61 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 1.29 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *106 T 7.91 4.29 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 1.24 0.00 0.00 107 D 8.19 4.93 0.00 2.78 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 0.00 108 S 7.64 4.61 0.00 3.93 3.78 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 0.00 109 P 0.00 4.33 0.00 2.17 2.15 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 110 V 7.86 3.67 2.03 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 0.83 0.00 0.00 1.02 0.00 0.00 111 L 7.73 3.75 0.00 1.88 1.66 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *113 A 8.17 4.19 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 0.00 114 A 7.82 3.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 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 0.92 0.00 0.00 140 N 8.05 4.51 0.00 3.06 2.86 0.00 0.00 6.72 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 0.00 141 L 7.42 3.98 0.00 1.69 1.70 0.46 0.14 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 *143 R 7.82 4.36 0.00 1.89 2.11 0.00 3.24 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 144 L 7.75 4.08 0.00 2.24 1.83 1.07 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *146 A 8.00 4.30 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 0.00 147 T 7.52 4.26 4.23 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 1.09 0.00 0.00 148 K 8.32 3.89 0.00 1.70 1.73 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.44 7.81 149 N 8.87 4.39 0.00 2.91 3.16 0.00 0.00 6.93 7.39 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 0.00 150 I 6.71 4.86 1.88 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.85 0.00 0.00 151 Y 8.95 5.16 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 9.47 5.23 0.00 3.03 3.27 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 0.00 153 V 8.58 4.17 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 1.07 0.00 0.00 1.04 0.00 0.00 154 P 0.00 4.50 0.00 1.99 2.05 0.00 3.57 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 155 F 8.16 5.33 0.00 3.25 3.20 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 0.00 156 G 8.02 5.07 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 0.00 0.00 0.00 157 Q 8.93 5.28 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 158 D 8.92 4.79 0.00 2.77 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 0.00 159 A 7.54 4.61 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 0.00 160 P 0.00 4.24 0.00 1.88 1.85 0.00 3.31 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 0.94 1.44 0.00 161 E 7.92 4.24 0.00 1.90 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 2.14 2.19 0.00 162 K 7.89 4.23 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 163 K 8.36 4.69 0.00 1.73 1.68 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.41 7.81 164 P 0.00 4.42 0.00 2.03 2.10 0.00 3.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 165 N 8.02 4.67 0.00 2.90 2.83 0.00 0.00 6.81 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 7.73 5.41 0.00 3.94 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 *168 V 8.09 4.44 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 0.96 0.00 0.00 1.08 0.00 0.00 169 A 8.70 4.69 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 0.00 170 R 8.80 4.13 0.00 1.79 1.77 0.00 2.86 0.00 0.00 2.83 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 *172 E 8.41 4.37 0.00 1.97 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 2.33 2.39 0.00 173 L 7.83 4.48 0.00 1.75 1.64 0.80 0.24 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 0.00 174 L 7.73 3.90 0.00 1.72 1.67 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.18 3.97 0.00 2.12 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 2.44 2.51 0.00 176 D 8.07 4.40 0.00 2.84 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 0.00 177 T 7.77 3.89 4.36 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 1.30 0.00 0.00 178 V 7.95 3.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 179 L 7.95 3.93 0.00 1.85 1.67 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 180 E 7.98 3.74 0.00 2.03 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 2.45 2.43 0.00 181 A 8.05 3.02 1.01 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 0.00 182 L 7.83 3.94 0.00 1.73 1.70 0.89 0.75 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 0.00 183 Q 7.14 4.45 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 184 G 7.84 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 K 7.75 4.63 0.00 1.68 1.68 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.44 7.81 186 Q 8.67 4.40 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 187 L 8.61 3.97 0.00 1.61 1.60 0.90 0.73 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 0.00 188 Q 8.37 4.79 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.24 0.00 189 P 0.00 4.51 0.00 2.10 2.00 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 190 V 8.15 3.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.00 0.00 0.00 191 V 7.52 4.14 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 0.71 0.00 0.00 0.66 0.00 0.00 192 V 8.35 4.41 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 0.59 0.00 0.00 0.87 0.00 0.00 193 E 8.38 4.73 0.00 1.74 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 194 K 8.31 3.86 0.00 1.92 2.18 0.00 1.68 0.00 0.00 2.10 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.67 7.81 195 F 7.66 4.52 0.00 3.21 3.31 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 0.00 196 R 7.46 4.28 0.00 1.47 1.54 0.00 3.20 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.44 0.00 197 Y 7.91 4.31 0.00 2.85 2.77 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 * Residues marked with a * may have inaccurate shift predictions.