NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 48 D 4.4849 8.4645 119.5049 52.8379 41.5771 174.7513 49 L 4.3763 8.3720 117.5148 52.3354 41.9725 173.5396 50 G 4.6960 8.4763 122.7012 44.9640 0.0000 171.6614 51 T 4.5353 7.9576 120.8259 61.8442 71.9509 172.9695 52 E 4.2565 8.7719 127.6777 54.9869 30.7493 175.8233 53 N 4.5729 8.6273 123.7555 53.4329 39.4955 175.4676 54 L 4.1294 8.6254 129.6275 57.8954 41.9320 178.7697 55 Y 4.1010 8.1192 119.7376 60.6133 38.6073 177.8332 56 F 3.8932 8.6489 121.3010 61.4149 39.5429 176.8907 57 Q 4.1605 8.2202 116.6057 58.8190 28.3032 178.4386 58 S 4.1508 7.7398 117.0094 61.9374 62.9592 176.1888 59 M 3.9882 7.3352 119.2215 57.6762 31.6182 178.3694 60 A 4.0260 7.0838 120.6983 54.2550 20.0459 179.2086 61 S 4.3614 7.5099 114.3864 57.0517 60.0810 174.6083 62 R 4.5205 7.1764 120.1962 54.6610 30.5637 175.5025 63 P 4.0470 0.0000 0.0000 63.7407 31.9393 177.5887 64 H 4.8292 8.2412 120.0242 56.2742 28.2267 176.0447 65 Q 4.6008 8.3071 119.7844 57.4048 31.2375 177.7294 66 W 5.0300 8.3552 117.2193 56.5262 29.1704 177.9256 67 Q 4.0567 8.1895 117.8577 59.5153 28.0706 178.2292 68 A 4.1534 8.0305 121.9480 54.6418 18.3536 179.1690 69 D 4.2608 7.8569 117.9760 57.4585 40.7338 178.4874 70 E 3.9413 8.1808 119.3542 59.5003 29.7643 178.4832 71 D 4.3955 8.0955 118.0616 56.8450 40.8731 178.5203 72 A 4.0305 7.6345 123.0992 54.4424 18.2807 179.7381 73 V 3.9052 7.8337 118.2615 65.8283 31.3738 178.5351 74 R 3.9973 7.6190 116.6086 58.6165 29.9401 178.1835 75 K 4.4577 7.7652 115.6625 55.1540 32.2800 176.7646 76 G 4.0258 7.6276 107.0022 46.9459 0.0000 174.6083 77 T 4.6743 8.0478 108.5708 61.1451 70.7380 173.1146 78 C 4.4894 8.0078 124.9269 59.1459 32.5432 172.2268 79 S 4.4483 7.6411 119.6453 56.3275 66.0269 173.2696 80 F 4.7087 8.2984 118.9350 55.0592 43.3329 172.4032 81 P 4.6297 0.0000 0.0000 62.8171 32.4348 175.9099 82 V 5.0437 9.0692 116.9661 59.9783 37.2331 174.2872 83 R 5.1139 9.2182 120.4942 54.7051 32.7461 174.9692 84 Y 4.7198 9.0919 127.1729 57.2434 39.0394 176.0287 85 L 3.7569 8.1124 128.4539 57.4248 42.8716 176.6585 86 G 3.2118 6.2868 103.2945 43.2589 0.0000 171.5564 87 H 5.5816 7.6902 114.8409 53.6046 30.6909 174.7490 88 V 4.4680 7.7724 117.9828 61.0551 35.1930 173.2998 89 E 4.5565 8.8542 128.0155 56.8152 30.0345 176.3011 90 V 4.6311 8.8109 118.8589 59.7115 36.0786 176.0867 91 E 4.3730 8.9920 121.8924 57.1711 29.7508 176.3949 92 E 4.3338 7.3721 117.5541 54.3502 33.5988 175.7897 93 S 3.1847 7.1802 115.5156 59.8140 63.3299 173.8616 94 R 3.8674 7.2679 115.5151 53.9808 32.3726 172.1636 95 G 2.9138 6.2414 103.0787 44.0651 0.0000 174.3656 96 M 4.2497 8.4706 126.5851 58.7115 32.4039 177.6141 97 H 4.8361 7.8723 116.0071 57.2467 29.3119 177.4425 98 V 3.5604 7.3633 120.7100 66.1351 31.1818 177.4585 99 C 4.1123 7.9877 116.0511 62.7907 27.8673 175.6429 100 E 4.1818 7.6669 120.1929 59.3454 29.1728 179.3318 101 D 4.3999 8.2370 118.1653 57.6350 40.8560 178.7571 102 A 3.9822 7.8850 120.4700 55.2633 18.1953 179.9694 103 V 3.4809 8.0079 116.8667 66.2181 31.6796 178.5648 104 K 4.0915 8.0826 118.0179 58.8680 31.5415 179.5944 105 K 3.9017 7.8195 118.4666 59.5759 32.3201 178.9826 106 L 4.0371 7.5573 119.2659 57.6349 41.3209 179.5536 107 K 3.9701 8.3642 118.6079 58.4410 32.1715 177.6604 108 A 4.4769 7.3924 118.4826 52.3703 19.1111 176.8983 109 M 4.3498 7.7003 115.7988 56.4153 34.0055 175.8621 110 G 3.8802 7.6620 106.2138 44.7618 0.0000 172.8252 *113 S 4.3556 8.3579 118.1933 58.1108 63.7736 172.8541 114 V 4.4877 8.0854 125.2230 60.6744 34.5913 174.7033 115 K 4.6743 8.7929 127.9842 56.9425 33.1099 176.2605 116 S 4.9967 9.1628 118.8872 57.6813 67.4735 172.7384 117 V 4.6662 8.7032 119.4658 61.0051 33.9013 173.8964 118 L 4.9456 8.7661 130.7930 53.9410 43.4591 174.9946 119 W 4.9969 9.7424 127.1945 55.0028 31.8185 175.4159 120 V 4.5909 8.9887 124.1147 61.2784 33.7177 174.6205 121 S 5.1023 8.6693 121.5799 55.8994 65.9237 174.8278 122 A 4.0364 8.5114 122.3301 54.3842 18.4905 178.1527 123 D 4.5877 8.2464 115.7426 55.1546 42.0556 176.2322 124 G 4.1974 6.7952 104.6062 46.2332 0.0000 171.8395 125 L 5.3922 8.2869 119.7446 52.9278 44.4615 176.4811 126 R 5.2351 8.9232 121.0818 54.4102 34.6226 174.3416 127 V 4.8630 8.7182 122.4832 61.1962 34.3876 174.1599 128 V 4.8556 8.5973 128.0889 60.7478 34.0775 174.2899 129 D 4.7603 9.2601 128.5483 54.9233 41.6407 176.7829 130 D 4.3917 8.8807 126.0830 57.5691 41.0714 178.1800 131 K 4.0681 8.4232 118.6740 59.3904 32.3431 177.5369 132 T 4.3143 8.2377 105.6244 60.6175 69.6053 174.8692 133 K 4.6333 8.0971 118.9887 56.5387 30.0429 174.6251 134 D 4.5819 7.6179 119.2605 53.8767 42.1071 175.6478 135 L 4.3774 8.4896 125.0473 55.3695 41.7981 176.2209 136 L 4.3919 8.9738 128.2385 56.8644 42.8172 178.1385 137 V 4.3764 7.6255 117.7320 61.2970 35.0126 173.8084 138 D 5.3964 8.8678 126.9070 52.2362 41.8865 172.2510 139 Q 4.6047 8.9558 124.5677 53.9241 31.0926 174.3960 140 T 4.3225 8.4629 121.3635 61.6572 67.8879 175.0378 141 I 3.8399 8.5228 128.4306 63.4539 38.2737 177.5721 142 E 4.1437 8.1732 116.9881 58.0039 29.6153 177.3512 143 K 4.4711 7.8813 118.5914 55.9440 32.3890 175.2359 144 V 4.6339 7.2860 119.3011 61.9503 32.1212 175.6965 145 S 4.3931 8.8398 122.7172 61.0184 62.7021 173.7482 146 F 5.1777 8.1212 119.8961 57.4167 42.6815 172.0114 147 C 5.2288 7.2390 116.6221 57.0768 33.1554 172.5627 148 A 4.4355 8.1708 118.5584 51.2608 22.8262 175.4962 149 P 5.1850 0.0000 0.0000 61.8365 33.7137 174.2066 150 D 4.8342 8.3922 116.2872 52.5640 43.5967 176.7560 151 R 3.9535 8.5915 127.1699 58.8102 30.1016 176.6253 152 N 4.8197 8.6563 112.3921 52.3168 38.8294 174.5718 153 L 4.6335 7.4786 119.8237 52.3746 42.2076 176.4627 154 D 4.3592 8.5026 124.3662 55.9140 39.8304 178.3780 155 K 4.3883 8.0176 116.9278 56.8080 33.5045 176.6098 156 A 4.8927 8.2172 124.1618 51.6685 19.9852 176.4766 157 F 5.4977 9.3704 123.4126 56.8234 43.5249 173.4695 158 S 5.2417 8.2971 118.1587 56.8160 67.1070 172.1395 159 Y 5.2690 7.7673 117.0229 55.7440 41.4931 174.0487 160 I 5.1243 9.1828 122.8788 60.8616 39.8006 174.4076 161 C 5.3117 8.9257 117.7908 57.3512 33.3046 172.6644 162 R 4.3514 8.3953 120.8222 55.4869 31.0337 175.0729 163 D 4.7656 8.4426 125.9790 52.4394 42.5808 176.9187 164 G 3.6465 8.7942 116.1580 48.0026 0.0000 174.2273 165 T 4.0059 7.8940 109.8731 64.8276 69.0319 176.0846 166 T 3.9117 8.0057 114.2832 61.9228 68.2289 173.7679 167 R 3.6390 7.7609 121.6748 57.3207 28.0730 175.8755 168 R 4.5612 6.7745 116.0348 55.4962 34.8196 176.9093 169 W 5.1137 8.5881 119.5472 56.7233 31.0687 175.5270 170 I 5.0756 9.1942 125.3866 59.6803 40.0189 174.6812 171 C 4.7536 9.1393 128.2927 59.3969 33.6197 172.4972 172 H 4.9222 8.5766 120.0759 54.4294 31.6417 172.3075 173 C 4.8205 8.2306 121.2303 58.6703 30.2308 173.1626 174 F 5.4516 9.5611 119.3506 55.9458 43.9479 173.7494 175 L 5.2610 9.1426 120.7875 52.7771 44.1951 176.2035 176 A 4.4598 9.2113 127.1152 52.4246 18.6026 177.1140 177 L 4.3421 8.8863 123.9633 57.3465 42.1908 179.0080 178 K 4.4215 8.2079 116.2391 54.3108 33.1558 176.6590 179 D 5.1111 7.7262 115.3309 52.7886 44.6752 175.1891 180 S 4.5365 8.2059 114.2942 57.4099 64.6517 175.3634 181 G 4.3636 9.5969 111.9102 47.5693 0.0000 175.9504 182 E 4.0084 8.1021 119.2276 58.9252 29.7855 178.9188 183 R 2.0000 7.3960 119.5532 58.4754 29.9447 178.5241 184 L 2.6127 6.5031 117.1095 57.3078 41.3783 179.2544 185 S 3.8332 7.0505 112.5844 61.5634 62.2522 175.5365 186 H 3.9160 8.0175 120.7785 59.2207 29.6220 176.9429 187 A 3.8178 7.1658 121.8781 55.2595 18.1468 179.8603 188 V 3.3972 7.5132 116.6211 65.5323 31.3910 178.5188 189 G 3.2627 7.8500 106.0150 47.7127 0.0000 175.4973 190 C 4.0688 7.9208 118.8230 62.3260 28.0584 175.9570 191 A 3.9259 7.5809 121.8580 55.3224 18.0839 179.3540 192 F 4.3863 8.1685 116.1504 60.9921 39.0120 177.9871 193 A 4.0024 8.4318 119.8526 55.2578 18.3059 179.3982 194 A 4.1603 8.4211 120.9905 54.9029 18.3269 179.1573 195 C 3.9894 8.7969 117.3288 62.6844 31.5793 175.3079 196 L 3.9285 7.9910 121.5951 58.6100 41.5325 179.0932 197 E 4.0254 8.4523 118.2988 59.3233 29.3918 179.3915 198 R 4.1498 8.0862 118.1025 58.8235 30.0007 179.0939 199 K 4.0773 8.1703 117.8624 59.1472 32.0275 178.8018 200 Q 4.1280 7.6725 119.6850 58.9905 29.0492 177.9253 201 R 4.1480 7.6306 119.6478 59.6768 30.2352 178.0284 202 R 4.2762 7.8357 123.8345 58.6230 29.6161 178.0925 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 48 D 8.46 4.48 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.37 4.38 0.00 1.73 1.48 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.48 4.70 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 51 T 7.96 4.54 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 1.24 0.00 0.00 52 E 8.77 4.26 0.00 2.01 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 2.51 2.46 0.00 53 N 8.63 4.57 0.00 2.85 2.83 0.00 0.00 7.21 6.66 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 54 L 8.63 4.13 0.00 1.86 1.82 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.12 4.10 0.00 3.02 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.65 3.89 0.00 3.30 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 57 Q 8.22 4.16 0.00 2.39 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 58 S 7.74 4.15 0.00 4.01 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 59 M 7.34 3.99 0.00 1.70 1.73 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.77 0.00 60 A 7.08 4.03 1.18 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 0.00 0.00 61 S 7.51 4.36 0.00 3.98 4.11 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 0.00 0.00 0.00 62 R 7.18 4.52 0.00 1.75 1.85 0.00 2.94 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 63 P 0.00 4.05 0.00 1.27 1.52 0.00 2.48 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 64 H 8.24 4.83 0.00 3.17 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.31 4.60 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 66 W 8.36 5.03 0.00 3.23 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 67 Q 8.19 4.06 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 68 A 8.03 4.15 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 69 D 7.86 4.26 0.00 2.87 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 70 E 8.18 3.94 0.00 2.10 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 2.39 2.41 0.00 71 D 8.10 4.40 0.00 2.73 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 72 A 7.63 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.83 3.91 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 1.33 0.00 0.00 1.00 0.00 0.00 74 R 7.62 4.00 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 75 K 7.77 4.46 0.00 1.80 1.83 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.57 7.81 76 G 7.63 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 77 T 8.05 4.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 78 C 8.01 4.49 0.00 2.88 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 79 S 7.64 4.45 0.00 2.72 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 80 F 8.30 4.71 0.00 2.69 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 81 P 0.00 4.63 0.00 2.08 1.97 0.00 3.57 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 2.08 2.04 0.00 82 V 9.07 5.04 2.36 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 0.79 0.00 0.00 1.10 0.00 0.00 83 R 9.22 5.11 0.00 1.88 1.89 0.00 3.16 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 84 Y 9.09 4.72 0.00 3.20 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 85 L 8.11 3.76 0.00 1.46 1.47 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 86 G 6.29 3.21 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 0.00 0.00 0.00 0.00 87 H 7.69 5.58 0.00 3.00 2.96 0.00 5.12 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 88 V 7.77 4.47 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 0.95 0.00 0.00 0.84 0.00 0.00 89 E 8.85 4.56 0.00 2.02 1.86 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 2.32 2.46 0.00 90 V 8.81 4.63 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 0.76 0.00 0.00 1.12 0.00 0.00 91 E 8.99 4.37 0.00 1.96 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 2.34 2.29 0.00 92 E 7.37 4.33 0.00 1.78 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 0.00 2.13 2.23 0.00 93 S 7.18 3.18 0.00 3.00 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 94 R 7.27 3.87 0.00 0.99 1.52 0.00 2.88 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.00 95 G 6.24 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 0.00 0.00 0.00 96 M 8.47 4.25 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.74 0.00 97 H 7.87 4.84 0.00 3.43 3.55 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.36 3.56 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 0.97 0.00 0.00 0.77 0.00 0.00 99 C 7.99 4.11 0.00 3.20 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 0.00 100 E 7.67 4.18 0.00 2.32 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 2.71 2.36 0.00 101 D 8.24 4.40 0.00 2.97 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 0.00 102 A 7.88 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.48 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 1.07 0.00 0.00 0.95 0.00 0.00 104 K 8.08 4.09 0.00 1.94 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.62 7.81 105 K 7.82 3.90 0.00 1.77 1.83 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.59 7.81 106 L 7.56 4.04 0.00 1.67 1.58 0.71 0.64 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 0.00 107 K 8.36 3.97 0.00 1.91 1.82 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.43 7.81 108 A 7.39 4.48 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 0.00 109 M 7.70 4.35 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 110 G 7.66 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *113 S 8.36 4.36 0.00 3.89 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 0.00 114 V 8.09 4.49 2.24 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 1.12 0.00 0.00 0.98 0.00 0.00 115 K 8.79 4.67 0.00 1.77 1.79 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.43 7.81 116 S 9.16 5.00 0.00 4.08 4.07 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 0.00 117 V 8.70 4.67 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.96 0.00 0.00 118 L 8.77 4.95 0.00 1.55 1.37 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 119 W 9.74 5.00 0.00 3.24 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 0.00 120 V 8.99 4.59 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 0.95 0.00 0.00 0.90 0.00 0.00 121 S 8.67 5.10 0.00 4.03 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 0.00 122 A 8.51 4.04 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 0.00 123 D 8.25 4.59 0.00 2.71 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 0.00 124 G 6.80 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 0.00 0.00 0.00 0.00 125 L 8.29 5.39 0.00 1.49 1.52 0.40 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.92 5.24 0.00 1.80 1.79 0.00 2.99 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 127 V 8.72 4.86 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 1.13 0.00 0.00 1.05 0.00 0.00 128 V 8.60 4.86 2.31 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 1.00 0.00 0.00 0.94 0.00 0.00 129 D 9.26 4.76 0.00 2.91 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.88 4.39 0.00 2.82 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 0.00 131 K 8.42 4.07 0.00 1.75 2.06 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 132 T 8.24 4.31 4.34 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 1.24 0.00 0.00 133 K 8.10 4.63 0.00 1.94 1.94 0.00 1.85 0.00 0.00 2.42 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.37 7.81 134 D 7.62 4.58 0.00 2.61 2.61 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 0.00 135 L 8.49 4.38 0.00 1.63 1.61 0.99 0.98 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 0.00 136 L 8.97 4.39 0.00 1.70 1.77 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.63 4.38 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 1.09 0.00 0.00 0.81 0.00 0.00 138 D 8.87 5.40 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.96 4.60 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 140 T 8.46 4.32 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 1.24 0.00 0.00 141 I 8.52 3.84 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 1.08 0.00 0.00 142 E 8.17 4.14 0.00 2.13 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 0.00 2.29 2.35 0.00 143 K 7.88 4.47 0.00 1.84 1.88 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.37 7.81 144 V 7.29 4.63 2.35 0.00 0.00 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 0.87 0.00 0.00 145 S 8.84 4.39 0.00 4.12 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 0.00 146 F 8.12 5.18 0.00 3.12 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 0.00 147 C 7.24 5.23 0.00 3.23 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 0.00 148 A 8.17 4.44 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 0.00 149 P 0.00 5.18 0.00 2.27 2.31 0.00 3.79 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 2.05 2.02 0.00 150 D 8.39 4.83 0.00 2.69 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 0.00 151 R 8.59 3.95 0.00 1.87 2.10 0.00 3.30 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 152 N 8.66 4.82 0.00 2.83 2.90 0.00 0.00 6.82 8.50 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 0.00 153 L 7.48 4.63 0.00 1.56 1.65 0.94 0.90 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 0.00 154 D 8.50 4.36 0.00 2.88 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 0.00 155 K 8.02 4.39 0.00 1.77 2.03 0.00 1.68 0.00 0.00 2.02 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.46 7.81 156 A 8.22 4.89 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 0.00 157 F 9.37 5.50 0.00 3.19 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 0.00 158 S 8.30 5.24 0.00 3.78 3.74 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 0.00 159 Y 7.77 5.27 0.00 3.29 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 0.00 160 I 9.18 5.12 2.18 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 1.49 1.34 1.10 0.00 0.00 161 C 8.93 5.31 0.00 3.33 3.34 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 0.00 162 R 8.40 4.35 0.00 1.66 1.79 0.00 2.39 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.27 0.00 163 D 8.44 4.77 0.00 2.77 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 0.00 164 G 8.79 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 T 7.89 4.01 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 1.19 0.00 0.00 166 T 8.01 3.91 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 1.29 0.00 0.00 167 R 7.76 3.64 0.00 1.93 1.86 0.00 3.20 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 168 R 6.77 4.56 0.00 1.46 1.72 0.00 3.24 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.23 0.00 169 W 8.59 5.11 0.00 3.60 3.12 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 0.00 0.00 0.00 170 I 9.19 5.08 1.98 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 1.15 1.39 0.92 0.00 0.00 171 C 9.14 4.75 0.00 2.98 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 0.00 172 H 8.58 4.92 0.00 1.73 2.79 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 C 8.23 4.82 0.00 2.69 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 0.00 174 F 9.56 5.45 0.00 3.27 3.06 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 0.00 175 L 9.14 5.26 0.00 1.60 1.61 0.94 0.73 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 0.00 176 A 9.21 4.46 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 0.00 177 L 8.89 4.34 0.00 1.57 1.75 1.00 0.72 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 0.00 178 K 8.21 4.42 0.00 1.75 1.69 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.00 7.81 179 D 7.73 5.11 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.21 4.54 0.00 4.22 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 0.00 181 G 9.60 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 0.00 0.00 0.00 0.00 182 E 8.10 4.01 0.00 2.30 2.31 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 2.68 2.70 0.00 183 R 7.40 2.00 0.00 1.33 1.58 0.00 2.95 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 184 L 6.50 2.61 0.00 1.00 0.13 -0.01 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 185 S 7.05 3.83 0.00 4.02 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 0.00 186 H 8.02 3.92 0.00 3.04 2.87 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 A 7.17 3.82 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 0.00 188 V 7.51 3.40 1.77 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 0.48 0.00 0.00 0.78 0.00 0.00 189 G 7.85 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 C 7.92 4.07 0.00 3.10 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 0.00 191 A 7.58 3.93 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 0.00 192 F 8.17 4.39 0.00 3.20 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 0.00 193 A 8.43 4.00 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 0.00 194 A 8.42 4.16 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 0.00 195 C 8.80 3.99 0.00 3.21 3.19 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 0.00 196 L 7.99 3.93 0.00 1.86 1.98 0.94 1.07 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 0.00 197 E 8.45 4.03 0.00 2.30 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 2.36 2.38 0.00 198 R 8.09 4.15 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 199 K 8.17 4.08 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.60 7.81 200 Q 7.67 4.13 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 201 R 7.63 4.15 0.00 1.88 1.98 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 202 R 7.84 4.28 0.00 1.93 1.70 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.