NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.5275 8.1927 119.0156 58.8150 65.0698 171.3380 30 Q 4.8332 8.5334 119.0145 55.1550 30.3695 172.7828 31 L 4.6565 9.9689 130.2345 53.5660 45.0252 174.4753 32 R 5.0828 8.8829 126.0624 54.7674 32.4169 175.4817 33 I 5.0333 9.0457 124.9247 59.4186 40.9253 174.5976 34 V 4.8249 8.6483 126.2617 61.0332 33.0712 173.9910 35 L 5.1109 8.7055 127.1013 53.1785 43.8206 175.9659 36 V 4.7727 10.1106 117.1631 58.7896 35.7871 175.4446 37 G 4.5189 8.5405 113.1365 44.6029 0.0000 172.1675 38 K 4.1917 7.8349 120.9080 55.8237 32.8744 176.3046 39 T 4.0339 8.4531 121.2710 65.8610 68.6063 174.4465 40 G 3.9760 9.0394 113.9985 45.1209 0.0000 174.0341 41 A 4.0486 7.7772 122.7729 53.7360 18.6721 178.7359 42 G 4.1778 8.4360 104.4014 45.8017 0.0000 175.7950 43 K 3.7949 8.4510 119.8638 59.5252 32.0417 179.0053 44 S 4.0501 8.1808 115.5593 60.9354 62.8518 176.3994 45 A 4.0527 8.0023 122.9273 55.6821 18.1067 179.6569 46 T 4.1727 7.7162 115.8581 66.1863 68.4772 177.1794 47 G 3.6449 8.4518 108.0897 47.8074 0.0000 175.5777 48 N 4.6760 8.4246 120.1480 55.7976 38.3402 177.7235 49 S 4.1197 7.9337 115.6092 61.5062 62.9792 176.4791 50 I 3.7463 7.6733 121.4956 64.4621 37.0372 178.2307 51 L 4.2459 8.0018 117.4090 55.0561 41.5622 177.7593 52 G 3.9353 8.9914 106.8464 45.6507 0.0000 173.4089 53 R 4.4613 7.3521 113.1490 54.6987 31.7245 174.4765 54 K 4.3675 8.4224 120.0684 55.5350 31.0946 176.5034 55 V 4.0955 8.1235 122.5214 61.9879 33.5222 176.8360 56 F 4.4198 8.2413 118.0684 56.9895 39.5800 175.0789 57 H 4.6891 8.6588 120.2835 54.9487 28.8379 176.2084 58 S 4.4811 8.2647 123.7796 57.0417 60.7716 175.1543 *66 T 4.1737 7.4234 119.5381 64.3126 68.8550 174.7637 67 K 4.2033 8.3309 128.6126 56.6419 32.6344 177.5295 68 K 4.8802 7.5547 117.9665 53.6985 36.0444 181.6299 69 C 4.7188 9.7351 120.3402 58.9133 41.8839 174.2001 70 E 4.9059 9.0094 119.9859 54.6659 33.5881 172.8645 71 K 5.2274 8.8633 125.6580 54.1288 33.9691 175.5017 72 R 4.8183 9.1953 125.1000 54.7149 34.7666 174.2342 73 S 5.3880 8.6073 116.3155 57.1965 66.6516 173.3269 74 S 4.7740 9.1329 119.1324 57.9052 67.8938 173.6896 75 S 5.1107 8.6377 119.8903 57.1816 63.6224 174.4470 76 W 4.8876 9.2595 135.0000 55.1358 33.3785 175.4636 77 K 3.4308 8.0111 129.9584 58.6539 30.5082 176.4461 78 E 4.5794 8.5381 121.0005 56.8860 29.9357 174.5248 79 T 4.9311 7.9240 117.0876 62.5803 71.9878 172.9616 80 E 4.8436 8.9180 127.7719 55.3163 30.9472 174.9098 81 L 4.8790 9.0083 128.6040 54.0089 43.6613 176.1333 82 V 4.6947 9.0389 123.7142 61.1942 34.5312 174.1309 83 V 4.8817 9.1033 128.8661 61.0830 34.3369 174.1924 84 V 4.8029 9.0273 128.5492 61.3732 33.1089 173.7124 85 D 4.8201 8.6915 128.8705 53.2032 42.5920 175.1229 86 T 4.7819 7.6409 114.6727 59.4526 71.3611 173.2407 87 P 4.6223 0.0000 0.0000 62.1873 33.9449 175.8483 88 G 3.9411 8.3227 103.9839 45.8884 0.0000 174.8334 89 I 3.5485 7.6275 121.3012 63.4952 37.8401 177.7238 90 F 4.7167 7.5485 121.6286 56.5468 37.6789 175.1575 *96 N 4.7457 7.9253 120.2374 52.1121 40.7196 178.1237 97 A 4.1340 8.0659 122.4986 55.8044 18.6916 180.0992 98 E 3.9745 8.1025 116.3622 61.5062 29.7975 181.1165 99 T 4.0282 7.8017 115.7872 66.6110 68.5198 176.7936 100 S 4.1283 7.8900 119.3456 62.0757 62.8587 177.3101 101 K 3.8846 7.8510 126.0721 60.0940 31.3943 180.4774 102 E 4.1432 8.1347 120.6916 58.8306 29.4295 178.9355 103 I 3.6617 8.2907 120.3442 64.4341 37.2230 178.3488 104 I 3.6889 7.9082 120.7127 64.4703 36.7065 178.5260 105 R 3.9279 7.9518 118.4119 59.5022 30.0579 177.5793 106 C 4.4635 8.6553 116.8346 60.1305 34.7770 176.1698 107 I 3.7111 8.0179 121.4670 64.4377 36.5048 178.5486 108 L 4.0900 8.1090 119.5318 57.4918 41.1200 179.5270 109 L 4.2087 7.6438 118.9662 56.8914 41.4813 177.8983 110 T 4.5279 7.2096 106.7535 61.1485 68.9894 174.7645 111 S 4.2702 7.3942 116.7184 58.8041 63.2041 173.2883 112 P 4.3367 0.0000 0.0000 64.1711 31.4905 176.4366 113 G 3.9352 7.1343 107.9348 44.4884 0.0000 170.7044 114 P 4.4182 0.0000 0.0000 62.6752 32.1764 175.9781 115 H 4.6311 8.5611 115.9070 57.6491 29.8060 176.0446 116 A 5.0256 7.8425 118.9423 50.2267 22.7450 174.6874 117 L 5.0387 9.1088 124.6624 53.2624 44.3531 175.5297 118 L 4.6389 8.8610 127.4323 52.9977 43.7941 175.3575 119 L 4.6535 8.4674 127.7827 53.9737 43.2728 175.2248 120 V 4.5576 8.3218 127.2816 61.1687 33.1246 175.0568 121 V 4.4357 8.7296 127.8503 60.3168 34.8423 172.3267 122 P 5.0826 0.0000 0.0000 60.9727 32.4968 175.3684 123 L 3.8935 8.5026 125.6867 56.2790 41.6368 176.9226 124 G 4.3460 9.1718 112.5557 45.5332 0.0000 174.4119 125 R 4.5411 7.4566 117.2548 56.0994 30.5456 176.0774 126 Y 4.6062 8.1440 123.3776 56.9726 38.1292 174.7868 127 T 4.4552 7.7720 117.3417 61.6375 72.0315 172.8036 128 E 4.4873 7.4070 116.7785 57.2147 33.2842 180.4069 129 E 4.2957 8.0297 120.2985 60.6778 30.1151 181.6610 130 E 4.4668 8.0931 119.2215 62.5971 30.0017 184.5684 *131 H 4.6839 7.7324 122.6842 59.0364 28.2260 180.5497 132 K 4.1776 7.8852 124.4395 60.0138 31.4422 182.7469 133 A 4.3105 7.7215 120.2369 55.4004 18.3114 179.9477 134 T 3.9215 7.7156 115.4771 67.4808 68.5391 177.5273 135 E 4.1128 8.4883 122.7013 61.4072 29.4498 181.9551 136 K 4.2026 7.4392 122.3095 59.7603 31.9454 182.0328 137 I 3.5636 7.3834 120.1796 64.2400 37.2805 178.2580 138 L 4.3295 8.1695 122.0421 58.1654 41.1652 180.9298 139 K 4.1483 7.7355 119.4011 57.6011 31.4668 179.6185 *141 F 4.8585 8.0940 120.9586 56.6143 40.8066 176.5265 142 G 3.8906 8.4325 109.4808 44.7172 0.0000 173.3445 143 E 4.0053 8.8110 119.9843 60.0505 29.0186 179.7187 144 R 3.9745 8.0763 119.8609 61.5366 29.5022 180.3175 145 A 3.7045 7.7411 119.4106 54.0280 18.0508 179.6797 146 R 3.6963 7.4476 116.7065 59.2805 30.1308 178.8923 147 S 4.3201 7.4914 113.0710 59.6562 64.4758 174.7494 148 F 4.7897 7.5049 118.7852 54.9216 36.9064 174.0235 *150 I 4.2688 7.2123 124.6897 61.7399 39.6037 175.1799 151 L 4.0332 8.1886 128.4967 53.8320 43.5313 175.1075 152 I 4.6603 8.5909 128.1156 59.5441 39.4142 174.7888 153 F 5.0723 9.3405 127.6414 57.1222 40.4041 175.8605 154 T 4.6465 8.9528 114.0996 59.9269 72.3258 174.0718 155 R 4.0692 8.3967 115.9305 56.6378 27.4755 179.0323 156 K 3.9868 8.1514 121.2814 59.4076 32.2438 178.3650 157 D 4.4569 8.0720 117.8828 56.0266 39.4397 177.6130 158 D 4.4354 7.6728 118.2118 55.9300 40.8913 176.3346 159 L 4.2962 7.3870 119.3921 53.1047 43.1725 174.6451 *172 P 4.2852 0.0000 0.0000 63.0145 33.4247 178.4919 173 E 4.0142 8.5505 121.2300 61.4412 29.7778 177.7726 174 D 4.6434 8.1056 119.7795 57.2935 40.7002 178.9070 175 I 3.9204 7.7949 119.0748 64.5137 37.3225 178.0510 176 Q 4.1571 7.9958 118.0679 58.7844 28.8958 178.0189 177 D 4.6021 8.4309 120.3187 57.2797 40.7464 179.3645 178 L 4.1238 7.5797 115.7093 56.0081 41.2737 178.6731 *180 D 4.5198 8.0248 120.8025 54.3438 42.9128 177.1632 181 I 3.8140 7.3632 117.5112 63.4898 37.5566 177.8501 182 F 4.9422 8.2191 118.9584 56.7931 39.4773 178.4211 183 G 3.7661 8.4753 112.0425 48.7073 0.0000 175.0217 184 D 4.6396 8.1276 117.2957 55.3166 42.3557 176.1198 185 R 4.9565 8.0121 117.8618 54.1795 29.5017 173.7251 186 Y 5.7854 7.4088 116.6549 56.0215 42.0704 175.2907 187 C 4.6796 8.6639 118.6399 58.0222 35.3998 171.9907 188 A 5.4073 8.7104 126.6017 50.2589 20.9410 175.7037 189 L 4.8242 9.3489 122.2474 52.9438 45.6985 175.5340 190 N 4.9949 9.2168 122.1100 52.0547 39.2648 174.9550 191 N 4.5843 8.7065 123.2000 54.6609 39.0338 176.9409 192 K 4.3133 8.0237 116.6188 56.4943 32.6678 177.1379 193 A 4.0968 7.6838 122.8053 52.6808 18.8619 176.6553 194 T 4.9304 7.3341 109.0756 58.8008 73.2719 175.0444 195 G 3.6601 8.4264 109.4342 46.5128 0.0000 176.2767 196 A 3.9833 8.6564 122.1034 55.0017 18.2392 178.9971 197 E 3.8498 8.1320 117.3027 59.4111 29.2506 178.5988 198 Q 3.9315 7.8407 119.1591 59.3074 29.1537 177.9848 199 E 3.9592 8.3589 120.0522 59.0728 29.6805 178.5603 200 A 3.9731 8.4068 121.2936 55.3690 18.5299 179.4883 201 Q 3.9239 8.2320 118.0772 59.0570 28.9632 178.4008 202 R 3.7598 8.0912 119.7781 59.1416 30.0576 178.2365 203 A 3.9742 7.9478 120.5595 55.4702 18.4499 179.5931 204 Q 3.9095 8.0758 116.4462 58.9197 28.7580 179.0287 205 L 3.8508 7.9352 121.2570 58.2272 42.1988 179.0989 206 L 3.8653 8.0126 119.3534 57.4140 41.3431 179.7395 207 G 3.6416 8.3185 106.2489 47.6250 0.0000 175.5289 208 L 3.9455 7.9195 122.7909 57.8625 42.0631 179.1052 209 I 3.6742 7.5885 119.6029 64.6197 37.0126 178.4363 210 Q 4.0103 8.1914 118.8323 58.8353 28.5118 178.9160 211 R 3.8662 8.0358 119.6982 59.5316 30.0397 178.7730 212 V 3.6252 8.1323 118.3979 65.9364 31.2739 178.1874 213 V 3.6975 7.9627 119.6530 66.7846 31.5150 178.6869 214 R 4.1167 8.0553 119.2959 61.2424 29.3175 179.8995 215 E 4.6397 8.1105 116.6023 57.3869 30.2514 177.2324 216 N 4.5919 7.8829 120.0218 54.1526 38.2633 175.7231 217 K 4.1519 8.6598 130.8634 56.6892 32.2438 176.4359 218 E 4.8073 8.2670 112.2800 56.2331 31.2102 182.1117 219 G 3.4522 8.5559 112.7188 49.2862 0.0000 176.6690 220 C 4.4384 8.8732 114.1926 57.6428 29.6860 175.5938 221 Y 4.4506 8.4121 118.8528 58.5956 38.4462 175.4266 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 29 S 8.19 4.53 0.00 3.44 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 30 Q 8.53 4.83 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 31 L 9.97 4.66 0.00 1.78 1.56 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.88 5.08 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 33 I 9.05 5.03 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.69 0.89 0.00 0.00 34 V 8.65 4.82 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 1.12 0.00 0.00 0.95 0.00 0.00 35 L 8.71 5.11 0.00 1.49 1.45 0.73 0.74 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 36 V 10.11 4.77 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 0.95 0.00 0.00 0.91 0.00 0.00 37 G 8.54 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.19 0.00 1.98 1.75 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.50 1.03 7.81 39 T 8.45 4.03 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 1.22 0.00 0.00 40 G 9.04 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 0.00 0.00 0.00 41 A 7.78 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.44 4.18 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 0.00 43 K 8.45 3.79 0.00 1.74 1.93 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.52 7.81 44 S 8.18 4.05 0.00 3.88 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 45 A 8.00 4.05 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 46 T 7.72 4.17 4.37 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 1.16 0.00 0.00 47 G 8.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.42 4.68 0.00 3.02 2.96 0.00 0.00 6.72 6.88 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 49 S 7.93 4.12 0.00 4.00 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 50 I 7.67 3.75 2.03 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 1.43 0.52 0.85 0.00 0.00 51 L 8.00 4.25 0.00 1.69 1.69 0.87 0.90 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 52 G 8.99 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 53 R 7.35 4.46 0.00 1.92 1.97 0.00 2.91 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 54 K 8.42 4.37 0.00 2.01 1.82 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 0.99 7.81 55 V 8.12 4.10 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 0.17 0.00 0.00 0.64 0.00 0.00 56 F 8.24 4.42 0.00 3.25 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 57 H 8.66 4.69 0.00 3.18 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.26 4.48 0.00 3.87 3.82 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 0.00 0.00 0.00 *66 T 7.42 4.17 4.24 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 1.28 0.00 0.00 67 K 8.33 4.20 0.00 1.77 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.00 7.81 68 K 7.55 4.88 0.00 1.47 1.53 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.03 7.81 69 C 9.74 4.72 0.00 2.93 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 70 E 9.01 4.91 0.00 1.63 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 71 K 8.86 5.23 0.00 1.80 1.77 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.50 7.81 72 R 9.20 4.82 0.00 1.46 1.52 0.00 3.13 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.11 0.00 73 S 8.61 5.39 0.00 3.71 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 74 S 9.13 4.77 0.00 3.75 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 75 S 8.64 5.11 0.00 3.39 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 76 W 9.26 4.89 0.00 3.23 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 77 K 8.01 3.43 0.00 1.05 0.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.87 0.37 7.81 78 E 8.54 4.58 0.00 1.98 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 2.16 1.88 0.00 79 T 7.92 4.93 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 1.44 0.00 0.00 80 E 8.92 4.84 0.00 2.10 1.87 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 2.31 2.32 0.00 81 L 9.01 4.88 0.00 1.67 1.59 0.85 0.62 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 82 V 9.04 4.69 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 0.96 0.00 0.00 0.97 0.00 0.00 83 V 9.10 4.88 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 0.94 0.00 0.00 0.98 0.00 0.00 84 V 9.03 4.80 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 0.97 0.00 0.00 0.97 0.00 0.00 85 D 8.69 4.82 0.00 1.58 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.64 4.78 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 1.25 0.00 0.00 87 P 0.00 4.62 0.00 2.17 2.18 0.00 3.71 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 1.91 1.92 0.00 88 G 8.32 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 89 I 7.63 3.55 1.15 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.39 0.09 0.00 0.00 90 F 7.55 4.72 0.00 3.07 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 *96 N 7.93 4.75 0.00 2.67 2.86 0.00 0.00 6.65 7.65 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 97 A 8.07 4.13 1.31 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 0.00 0.00 98 E 8.10 3.97 0.00 1.99 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 2.31 1.97 0.00 99 T 7.80 4.03 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 1.10 0.00 0.00 100 S 7.89 4.13 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.85 3.88 0.00 1.80 1.83 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 102 E 8.13 4.14 0.00 2.07 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 2.27 2.35 0.00 103 I 8.29 3.66 1.99 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 1.40 0.45 0.92 0.00 0.00 104 I 7.91 3.69 2.03 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 1.41 1.05 0.91 0.00 0.00 105 R 7.95 3.93 0.00 1.90 2.11 0.00 3.27 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 106 C 8.66 4.46 0.00 3.15 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 0.00 107 I 8.02 3.71 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.94 0.00 0.00 108 L 8.11 4.09 0.00 1.85 1.73 0.93 0.40 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 0.00 109 L 7.64 4.21 0.00 1.77 1.76 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.21 4.53 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 1.23 0.00 0.00 111 S 7.39 4.27 0.00 3.93 3.85 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 0.00 112 P 0.00 4.34 0.00 2.14 2.16 0.00 3.83 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 1.95 1.95 0.00 113 G 7.13 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 0.00 114 P 0.00 4.42 0.00 2.27 2.03 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 115 H 8.56 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0.00 1.39 1.35 7.81 *141 F 8.09 4.86 0.00 3.03 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 0.00 142 G 8.43 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.81 4.01 0.00 2.07 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 2.36 2.42 0.00 144 R 8.08 3.97 0.00 1.85 1.93 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 145 A 7.74 3.70 1.20 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 0.00 146 R 7.45 3.70 0.00 1.82 1.82 0.00 3.02 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 147 S 7.49 4.32 0.00 3.93 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 0.00 148 F 7.50 4.79 0.00 3.39 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 *150 I 7.21 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0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *180 D 8.02 4.52 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 0.00 181 I 7.36 3.81 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.56 0.04 0.00 0.00 182 F 8.22 4.94 0.00 3.02 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 0.00 183 G 8.48 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 0.00 0.00 0.00 184 D 8.13 4.64 0.00 2.68 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 0.00 185 R 8.01 4.96 0.00 2.02 1.91 0.00 3.23 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 186 Y 7.41 5.79 0.00 2.98 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 0.00 187 C 8.66 4.68 0.00 2.88 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 0.00 188 A 8.71 5.41 1.31 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 0.00 0.00 189 L 9.35 4.82 0.00 1.54 1.53 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 190 N 9.22 4.99 0.00 2.82 2.70 0.00 0.00 7.19 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 0.00 191 N 8.71 4.58 0.00 2.80 2.85 0.00 0.00 7.02 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 0.00 192 K 8.02 4.31 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.53 7.81 193 A 7.68 4.10 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 0.00 194 T 7.33 4.93 4.24 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 1.28 0.00 0.00 195 G 8.43 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 0.00 196 A 8.66 3.98 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 0.00 197 E 8.13 3.85 0.00 2.05 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 0.00 2.38 2.37 0.00 198 Q 7.84 3.93 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 199 E 8.36 3.96 0.00 2.22 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 2.36 2.37 0.00 200 A 8.41 3.97 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 0.00 201 Q 8.23 3.92 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 202 R 8.09 3.76 0.00 1.99 2.02 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 203 A 7.95 3.97 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 0.00 204 Q 8.08 3.91 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 205 L 7.94 3.85 0.00 1.75 1.78 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.01 3.87 0.00 0.98 0.69 -0.66 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 207 G 8.32 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 L 7.92 3.95 0.00 1.71 1.79 0.86 0.76 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 0.00 209 I 7.59 3.67 1.92 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 1.47 0.50 0.90 0.00 0.00 210 Q 8.19 4.01 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 211 R 8.04 3.87 0.00 2.06 2.10 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 212 V 8.13 3.63 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 1.00 0.00 0.00 1.00 0.00 0.00 213 V 7.96 3.70 2.16 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 0.84 0.00 0.00 1.05 0.00 0.00 214 R 8.06 4.12 0.00 1.94 1.83 0.00 3.31 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 215 E 8.11 4.64 0.00 2.09 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 2.32 0.00 216 N 7.88 4.59 0.00 2.98 2.91 0.00 0.00 7.14 7.12 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 0.00 217 K 8.66 4.15 0.00 1.82 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 218 E 8.27 4.81 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 219 G 8.56 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 C 8.87 4.44 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 Y 8.41 4.45 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.