NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6415 8.4401 120.3914 56.2325 31.1020 173.2008 2 A 4.5704 8.8685 128.0820 52.8941 20.1068 174.7264 3 G 3.9682 8.5394 109.6616 45.9235 0.0000 169.7455 4 R 4.6428 8.2451 117.5677 56.5273 30.7651 176.6317 5 T 4.4513 7.9223 112.5613 64.2129 69.6479 177.1488 6 G 3.7664 8.0778 107.4449 45.0024 0.0000 172.9731 7 Y 4.0290 7.2046 116.2705 57.3643 38.0981 176.3548 8 D 4.6171 8.6773 121.4776 52.1689 44.9730 175.8593 9 N 4.8784 9.4806 123.4446 56.8290 38.6573 177.3987 10 R 4.0876 8.1831 116.8319 59.4930 29.6698 178.4678 11 E 4.1118 8.2991 119.7851 58.6261 29.7797 178.3514 12 I 3.6846 8.6033 119.4212 64.1465 38.0887 178.1260 13 V 4.1253 8.2872 119.2166 65.9908 31.3807 177.7043 14 M 4.4649 8.3030 118.1126 58.7538 32.2607 178.4467 15 K 4.0556 8.3344 118.6000 59.5574 32.1590 178.6309 16 Y 4.1914 8.0657 119.6696 61.0568 38.7862 178.2398 17 I 2.9684 8.2115 120.9215 64.2764 37.1028 177.9518 18 H 4.4127 8.6427 117.1277 59.4791 28.8003 176.9817 19 Y 4.1656 8.0346 120.6722 60.7136 38.3133 178.1570 20 K 3.9017 7.5389 119.4438 59.4048 32.4326 178.5231 21 L 4.0707 7.8489 119.1933 57.8568 41.7790 179.3331 22 S 4.1381 8.6243 115.4917 61.7916 62.4705 176.3977 23 Q 4.0198 7.8276 121.0749 59.0854 28.7133 178.0366 24 R 4.2371 8.0796 118.2815 56.2642 30.4112 177.0300 25 G 3.9667 7.8671 105.9830 45.6340 0.0000 173.3241 26 Y 4.4678 7.7829 117.7276 56.1906 36.7784 174.4784 27 E 4.1225 8.6005 125.1881 56.1038 28.3515 175.9879 28 W 4.4336 8.4728 132.8528 57.2845 31.8470 176.9360 29 D 4.5364 8.8253 129.0769 53.6296 39.4282 176.4069 30 A 3.4774 6.5317 125.4513 54.9940 19.4651 179.6149 31 G 3.7936 7.2268 106.8043 43.4098 0.0000 173.6563 32 D 4.2877 7.9065 120.6429 56.7835 40.0055 178.4215 33 D 4.5528 7.2222 119.6214 53.3359 39.8050 176.7923 34 V 4.0787 7.3640 120.9705 60.4569 31.1126 176.4301 35 E 4.5637 7.6535 111.0370 56.4235 30.5263 176.6752 36 E 3.5429 8.0513 116.1360 58.3985 26.1655 172.8213 37 N 4.6399 8.0700 118.2815 51.7590 38.7660 175.2693 38 R 4.5358 7.8427 126.2525 54.3101 28.5136 176.3228 39 T 3.6555 7.0773 113.2407 66.6517 69.3571 174.6462 40 E 4.5019 7.8751 122.4552 56.0636 30.8649 174.5500 41 A 3.9267 8.1204 124.2478 50.7777 18.3772 177.2606 42 P 4.2792 0.0000 0.0000 64.9805 31.8171 176.3107 43 E 3.8526 8.2252 119.4660 56.9560 29.9838 177.7449 44 G 4.2995 8.4161 118.1877 43.8079 0.0000 173.4803 45 T 3.9797 8.1102 109.6081 64.7101 68.1029 174.7755 46 E 3.8771 7.7652 120.6677 60.2313 30.0815 178.3209 47 S 4.5151 7.8802 113.8923 59.9925 64.0816 176.3136 48 E 3.7293 8.1782 122.7883 59.0993 29.6408 178.9174 *89 V 4.1154 7.6534 110.8129 61.4098 33.7762 178.1097 90 V 3.7680 7.6233 112.6523 64.2399 31.4597 178.0887 91 H 4.2032 8.0644 116.0432 59.0319 28.5407 177.7511 92 L 4.0864 7.9082 120.5693 58.0504 41.3102 179.8961 93 T 4.4245 7.4859 115.5115 66.0636 68.4359 176.5605 94 L 3.9114 8.2791 122.5436 58.1709 42.0100 178.9556 95 R 3.8807 8.3141 119.2908 59.3261 30.1623 178.5090 96 Q 4.0228 8.3746 117.5257 59.1927 28.7104 178.1935 97 A 4.0493 8.7516 123.9362 54.5942 18.5981 179.4204 98 G 3.6922 8.2435 104.9756 48.3324 0.0000 175.4774 99 D 4.4439 7.8864 122.2482 55.9024 39.0419 178.3493 100 D 4.3184 7.8007 119.6448 57.0685 41.1549 178.1060 101 F 4.4359 8.5529 121.5818 61.5290 39.5066 177.1969 102 S 3.4246 7.8499 113.2219 61.4892 62.2685 176.6940 103 R 3.9730 7.6911 120.5329 58.8832 29.8567 178.6565 104 R 4.2365 7.7947 116.2124 56.8038 30.8754 176.3224 105 Y 4.3844 7.1558 116.3539 55.5619 38.2873 175.3471 106 R 3.7476 8.4091 124.6413 58.1728 30.5355 176.7640 107 R 4.2221 7.1048 116.0974 54.9205 28.9990 173.1717 108 D 4.1928 6.9095 129.3698 52.9655 44.5211 178.5434 109 F 3.8028 7.2579 117.5561 58.6185 38.6979 177.3185 110 A 4.1781 6.8104 120.9233 54.8347 18.0889 178.7742 111 E 3.8375 7.9836 117.3725 60.0525 29.4914 178.9408 112 M 4.2363 7.7859 117.2975 58.0587 31.9654 178.3380 113 S 4.2501 8.1449 113.6913 61.8347 62.0652 176.3186 114 S 4.1962 7.8345 116.3032 61.7154 62.2945 176.5665 115 Q 3.8566 8.2465 122.2381 58.5971 29.1271 176.6075 116 L 3.8979 7.8234 119.3895 56.3825 42.0989 176.9590 117 H 4.0066 7.6167 118.9083 55.2609 30.5566 172.9955 118 L 4.7828 7.7473 120.4944 52.7150 43.7552 176.6146 119 T 4.2953 7.8720 111.6216 60.7411 70.3748 172.1893 120 P 4.3995 0.0000 0.0000 65.4657 32.0156 177.9226 121 F 4.2071 8.3601 117.1845 60.8704 39.2802 177.6141 122 T 4.1218 8.1065 116.3742 65.8050 68.2599 176.5005 123 A 4.1505 7.9671 123.3901 55.4194 18.4813 179.5746 124 R 2.7323 7.9585 116.3078 59.3129 29.6828 178.8744 125 G 3.6322 7.9149 105.1621 47.5185 0.0000 175.5367 126 R 3.6997 8.6723 118.2611 58.4312 29.9041 178.5818 127 F 4.1477 8.1327 121.6676 61.1108 39.4644 176.5213 128 A 2.5800 6.7506 119.2636 55.2751 18.2179 179.6470 129 T 3.7710 7.0222 113.3457 66.8103 68.1611 177.1986 130 V 3.6288 7.1197 113.7956 64.1136 31.9122 178.6651 131 V 3.7377 7.0203 118.4012 64.4562 30.0485 177.7772 132 E 3.8718 8.3791 120.6423 59.0817 29.1808 178.6295 133 E 4.1220 7.5111 115.6893 58.7731 29.8424 178.5323 134 L 4.2872 7.4925 120.5079 56.6763 43.1122 176.9628 135 F 4.6985 7.2806 120.3863 56.2553 38.6983 173.7969 136 R 3.8481 7.9608 125.1432 56.3481 31.2248 175.8640 137 D 4.5710 7.6955 114.3574 54.7939 42.7190 175.7661 138 G 4.3115 7.4640 105.5481 44.1347 0.0000 172.0747 139 V 3.8727 6.5866 119.3398 60.5284 33.3294 175.1729 140 N 3.8287 7.4563 115.3533 50.7028 43.3452 175.6884 141 W 4.5254 7.6082 122.2204 60.4119 29.0198 179.1129 142 G 3.5554 8.1327 104.7609 47.5599 0.0000 175.6038 143 R 3.7976 7.5683 120.3838 59.1091 30.2347 178.0719 144 I 3.6804 8.1242 120.2145 64.5566 37.2087 178.3892 145 V 3.5221 7.7236 119.3640 64.9175 30.9065 177.9565 146 A 3.2732 7.0953 121.3971 54.6147 18.1199 179.2924 147 F 4.2386 8.2556 118.8556 61.4699 39.2230 176.9901 148 F 3.1213 8.1712 117.4013 60.5097 38.7097 177.3813 149 E 4.4230 8.0942 119.8421 58.5861 29.4164 178.4446 150 F 4.2807 8.2433 120.8835 61.3993 39.4298 177.0938 151 G 3.8361 8.2632 105.5905 47.9876 0.0000 175.6806 152 G 3.5924 8.0598 108.1056 47.5259 0.0000 175.8234 153 V 3.6457 7.6211 119.6962 65.8462 31.8883 177.6180 154 M 4.2496 8.2128 118.1007 58.7408 30.7292 177.7584 155 C 3.9033 8.3485 115.1424 61.5894 29.4494 176.1485 156 V 3.8097 7.8737 120.3783 65.2734 30.6509 177.5938 157 E 3.9496 7.9137 118.2210 59.8298 29.3945 179.5380 158 S 3.9999 8.0650 114.2115 61.8764 62.6968 177.1579 159 V 3.7203 7.0003 113.5481 64.0336 31.2657 177.5903 160 N 4.4321 7.7885 116.5017 57.5958 38.8021 176.0077 161 R 4.2153 7.4424 117.8315 55.1292 31.5593 175.9820 162 E 5.2322 7.3913 117.6338 56.1108 31.9881 177.2358 163 M 4.8248 8.0666 118.8376 52.5892 34.3679 177.7441 164 S 4.0508 8.5819 115.2595 61.5140 62.6553 172.7817 165 P 4.3960 0.0000 0.0000 65.8078 30.9887 178.0072 166 L 3.8021 7.9340 118.8105 58.0897 41.8889 179.2596 167 V 3.2861 7.9425 112.7334 64.3074 31.3516 178.2871 168 D 4.4538 8.0676 118.6118 57.5171 40.7883 178.4084 169 N 3.8106 7.7488 116.3903 55.9457 38.3005 177.3467 170 I 2.8814 7.0279 120.7331 64.1730 37.3741 178.2495 171 A 3.9713 7.4605 120.8617 55.0938 18.1641 179.8087 172 L 3.9268 7.3207 116.9845 57.9481 41.7609 179.7425 173 W 4.4596 7.3867 118.7502 60.0490 28.7467 178.5402 174 M 4.5872 8.3942 119.2635 58.7579 31.4194 178.8958 175 T 4.1109 8.1155 109.6360 64.4501 68.9603 176.6100 176 E 3.9585 8.2822 122.0007 59.5096 29.8393 178.4537 177 Y 3.8413 8.5068 116.7530 60.8210 37.9229 177.7632 178 L 3.5778 8.2371 121.6379 58.5174 41.9223 178.7695 179 N 4.4637 8.0434 114.9554 56.5159 38.9823 176.8497 180 R 4.0865 8.2268 119.1973 58.3270 30.1130 176.1932 181 H 4.7174 8.2097 115.8622 57.3516 31.8969 175.3183 182 L 3.7416 8.0978 119.2116 58.1441 41.4592 178.7844 183 H 4.0198 8.4265 117.5538 60.1043 29.5975 176.9107 184 T 3.7357 7.7985 116.6320 66.4331 68.2748 176.7240 185 W 3.8393 7.8138 121.1652 59.2652 28.8089 178.8396 186 I 3.9801 8.7995 114.4041 64.1673 37.1054 178.1082 187 Q 4.0070 8.3216 120.8962 58.7567 29.0318 177.3791 188 D 4.3753 8.0082 117.5893 56.0240 42.0632 176.0284 189 N 4.9068 7.9311 117.9835 52.4913 39.0837 173.4895 190 G 4.1935 7.9118 111.7413 42.4590 0.0000 176.7186 191 G 3.8973 8.5597 109.0154 44.5392 0.0000 172.6190 192 W 4.5153 8.3342 118.9479 60.0614 29.0230 177.9812 193 D 4.5275 8.3053 118.2739 55.9900 38.8667 178.1917 194 A 3.9619 7.8992 122.6466 55.1903 18.3888 179.3967 195 F 3.3884 7.7775 118.4554 61.2331 39.1030 177.6919 196 V 3.0616 7.0702 110.6896 64.0379 30.9786 178.4810 197 E 3.9152 7.8042 117.7841 59.1908 29.3509 179.0540 198 L 3.9089 7.2983 117.6887 56.9335 42.7264 178.6153 199 Y 4.6494 7.6728 116.0478 55.8303 36.3153 177.5647 200 G 3.5614 7.3171 108.5691 44.3849 0.0000 171.2176 201 P 4.1768 0.0000 0.0000 61.7351 31.9726 175.5197 202 S 3.9166 8.3894 115.1511 60.1557 61.3652 172.8141 203 M 3.1486 8.0044 129.3471 55.5321 31.8810 176.3900 204 R 4.0468 7.8305 123.6329 56.8390 30.1052 176.6155 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 1 H 8.44 4.64 0.00 3.14 3.27 0.00 5.77 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 2 A 8.87 4.57 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 3 G 8.54 3.97 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 0.00 4 R 8.25 4.64 0.00 1.73 1.84 0.00 3.38 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 5 T 7.92 4.45 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 6 G 8.08 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 7 Y 7.20 4.03 0.00 1.43 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 8 D 8.68 4.62 0.00 2.88 2.62 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 9 N 9.48 4.88 0.00 2.95 3.19 0.00 0.00 6.98 7.73 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 10 R 8.18 4.09 0.00 2.19 2.30 0.00 3.09 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 11 E 8.30 4.11 0.00 2.20 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 2.47 2.45 0.00 12 I 8.60 3.68 2.25 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.36 1.29 0.00 0.00 13 V 8.29 4.13 2.34 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 1.26 0.00 0.00 1.31 0.00 0.00 14 M 8.30 4.46 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 15 K 8.33 4.06 0.00 1.93 1.87 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.58 7.81 16 Y 8.07 4.19 0.00 2.94 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.21 2.97 1.89 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 1.60 0.68 0.23 0.00 0.00 18 H 8.64 4.41 0.00 3.64 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.03 4.17 0.00 3.10 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 20 K 7.54 3.90 0.00 1.44 1.66 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.36 7.81 21 L 7.85 4.07 0.00 1.97 1.76 0.53 0.94 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 22 S 8.62 4.14 0.00 3.96 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 23 Q 7.83 4.02 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 24 R 8.08 4.24 0.00 1.53 1.63 0.00 3.24 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.17 0.00 25 G 7.87 3.97 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 0.00 26 Y 7.78 4.47 0.00 2.86 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 27 E 8.60 4.12 0.00 1.97 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 2.34 2.35 0.00 28 W 8.47 4.43 0.00 3.12 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 29 D 8.83 4.54 0.00 2.77 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 30 A 6.53 3.48 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.23 3.79 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 0.00 0.00 0.00 32 D 7.91 4.29 0.00 2.76 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 33 D 7.22 4.55 0.00 2.75 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 34 V 7.36 4.08 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 0.86 0.00 0.00 0.90 0.00 0.00 35 E 7.65 4.56 0.00 2.03 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 2.40 2.27 0.00 36 E 8.05 3.54 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 37 N 8.07 4.64 0.00 2.64 2.72 0.00 0.00 7.13 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 38 R 7.84 4.54 0.00 1.92 1.92 0.00 3.10 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 39 T 7.08 3.66 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 1.20 0.00 0.00 40 E 7.88 4.50 0.00 1.92 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 2.20 2.26 0.00 41 A 8.12 3.93 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 42 P 0.00 4.28 0.00 2.19 2.19 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 43 E 8.23 3.85 0.00 1.95 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 2.35 0.00 44 G 8.42 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 0.00 0.00 0.00 0.00 45 T 8.11 3.98 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 1.22 0.00 0.00 46 E 7.77 3.88 0.00 2.09 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 2.44 2.38 0.00 47 S 7.88 4.52 0.00 3.99 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 48 E 8.18 3.73 0.00 2.10 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 2.34 2.45 0.00 *89 V 7.65 4.12 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 0.92 0.00 0.00 0.98 0.00 0.00 90 V 7.62 3.77 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 1.06 0.00 0.00 1.10 0.00 0.00 91 H 8.06 4.20 0.00 3.39 3.38 0.00 5.62 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1.74 1.98 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.62 4.01 0.00 3.51 3.32 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.75 4.78 0.00 1.61 1.56 0.95 0.85 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 0.00 119 T 7.87 4.30 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 1.31 0.00 0.00 120 P 0.00 4.40 0.00 2.06 2.22 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 121 F 8.36 4.21 0.00 3.10 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 0.00 122 T 8.11 4.12 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 1.24 0.00 0.00 123 A 7.97 4.15 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 2.73 0.00 0.69 1.64 0.00 2.86 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.00 125 G 7.91 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.67 3.70 0.00 1.93 2.08 0.00 3.13 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 127 F 8.13 4.15 0.00 3.24 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 0.00 128 A 6.75 2.58 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 0.00 129 T 7.02 3.77 4.12 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 1.13 0.00 0.00 130 V 7.12 3.63 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.17 0.00 0.00 131 V 7.02 3.74 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 -0.25 0.00 0.00 0.76 0.00 0.00 132 E 8.38 3.87 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 141 W 7.61 4.53 0.00 3.36 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 0.00 142 G 8.13 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 3.80 0.00 1.78 1.78 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 144 I 8.12 3.68 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.23 1.13 0.00 0.00 145 V 7.72 3.52 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 0.63 0.00 0.00 0.56 0.00 0.00 146 A 7.10 3.27 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 0.00 0.00 0.00 0.00 0.00 147 F 8.26 4.24 0.00 3.10 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 0.00 148 F 8.17 3.12 0.00 3.13 2.40 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 0.00 149 E 8.09 4.42 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 2.58 2.59 0.00 158 S 8.06 4.00 0.00 4.00 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 0.00 159 V 7.00 3.72 2.27 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 0.64 0.00 0.00 0.93 0.00 0.00 160 N 7.79 4.43 0.00 2.91 2.86 0.00 0.00 7.21 7.80 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 0.00 161 R 7.44 4.22 0.00 1.79 1.85 0.00 3.45 0.00 0.00 3.16 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 162 E 7.39 5.23 0.00 1.88 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 2.04 2.16 0.00 163 M 8.07 4.82 0.00 2.07 2.08 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 2.52 2.48 0.00 164 S 8.58 4.05 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.40 0.00 2.17 2.12 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 166 L 7.93 3.80 0.00 1.82 1.60 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.94 3.29 1.15 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 0.53 0.00 0.00 0.07 0.00 0.00 168 D 8.07 4.45 0.00 2.68 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 0.00 169 N 7.75 3.81 0.00 2.44 1.60 0.00 0.00 7.20 7.36 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 0.00 170 I 7.03 2.88 1.71 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 1.04 0.72 0.85 0.00 0.00 171 A 7.46 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.32 3.93 0.00 1.53 1.59 0.97 0.82 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 0.00 173 W 7.39 4.46 0.00 2.60 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 0.00 0.00 0.00 174 M 8.39 4.59 0.00 2.27 2.40 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 2.42 2.53 0.00 175 T 8.12 4.11 4.40 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 1.49 0.00 0.00 176 E 8.28 3.96 0.00 2.51 2.29 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 2.42 2.43 0.00 177 Y 8.51 3.84 0.00 3.55 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 0.00 178 L 8.24 3.58 0.00 1.77 1.80 0.82 1.08 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 0.00 179 N 8.04 4.46 0.00 2.87 3.17 0.00 0.00 7.67 7.72 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 0.00 180 R 8.23 4.09 0.00 1.93 1.84 0.00 3.22 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 181 H 8.21 4.72 0.00 3.08 3.20 0.00 5.79 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 0.00 182 L 8.10 3.74 0.00 1.83 1.68 0.47 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 0.00 183 H 8.43 4.02 0.00 3.33 3.58 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 T 7.80 3.74 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 185 W 7.81 3.84 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 I 8.80 3.98 2.28 0.00 0.00 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 1.71 1.00 1.10 0.00 0.00 187 Q 8.32 4.01 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 188 D 8.01 4.38 0.00 2.58 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 0.00 189 N 7.93 4.91 0.00 2.73 2.96 0.00 0.00 7.72 8.20 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 0.00 190 G 7.91 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 0.00 191 G 8.56 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 W 8.33 4.52 0.00 3.30 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 0.00 193 D 8.31 4.53 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 7.90 3.96 1.53 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 0.00 0.00 195 F 7.78 3.39 0.00 2.21 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 0.00 196 V 7.07 3.06 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 0.85 0.00 0.00 0.91 0.00 0.00 197 E 7.80 3.92 0.00 2.11 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 2.28 2.28 0.00 198 L 7.30 3.91 0.00 1.44 1.44 0.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 7.67 4.65 0.00 2.57 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 0.00 200 G 7.32 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.21 2.02 0.00 3.73 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 2.00 2.08 0.00 202 S 8.39 3.92 0.00 3.96 3.97 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 0.00 203 M 8.00 3.15 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 204 R 7.83 4.05 0.00 1.79 1.80 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.