NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3995 8.0093 121.0481 61.3505 39.3537 174.3110 17 S 4.3809 9.2598 121.8360 55.9001 66.0780 171.9003 18 G 3.4012 8.4016 109.9710 47.4286 0.0000 175.2978 19 G 3.7574 9.1364 113.8404 45.3288 0.0000 172.5477 *31 D 4.5406 7.9557 118.0391 53.7493 42.6534 174.8743 32 A 4.5962 8.4789 122.4268 52.1483 19.4738 177.0919 33 I 4.8235 8.2978 113.3923 59.5021 41.2424 173.7802 34 Y 5.5410 9.1916 122.1047 56.8347 42.0900 174.8161 35 S 4.8488 8.6429 115.8744 57.9816 65.9493 174.4797 *38 S 4.4591 8.6983 112.8653 58.7078 64.3389 174.7260 39 T 4.0913 7.4511 109.4721 61.5922 69.8643 173.9998 40 G 3.9895 7.2580 108.2805 44.3981 0.0000 172.6239 41 R 5.0284 8.5832 122.1545 54.7100 32.8866 175.8750 42 C 5.1670 8.8925 121.3264 55.6600 44.6804 172.6454 43 S 5.2163 8.6062 114.6884 56.9648 65.8704 174.2847 44 L 3.4349 8.7293 125.5595 55.6075 42.5101 176.1744 44A G 4.0327 9.6086 113.9196 48.0796 0.0000 172.8659 45 F 4.9780 7.9486 115.4103 54.9268 44.5961 173.4733 46 N 5.4086 8.8767 119.1501 53.0590 39.5341 174.8431 47 V 5.1816 9.3295 116.2374 60.1454 37.0184 174.1129 48 R 5.1778 9.2046 117.4445 55.6257 33.5892 174.2451 48A S 4.5530 8.8325 113.8527 56.6725 65.1289 175.6116 48B G 3.8058 8.9209 119.9636 47.0861 0.0000 172.8844 48C S 4.4449 9.0393 115.5225 57.6688 62.5562 172.2499 49 T 4.3998 7.9105 117.0648 61.9128 70.0811 172.8740 50 Y 5.2059 8.1683 123.4583 56.9715 40.7596 174.2620 51 Y 5.2136 9.3952 119.5813 56.8011 43.5259 173.5792 52 F 5.5511 8.5510 114.0762 55.4868 41.7773 173.8573 53 L 5.1221 9.0437 120.5099 54.1525 44.6600 175.5361 54 T 4.6710 8.4572 114.8028 61.2349 71.4092 172.4776 55 A 4.3559 8.4821 124.7712 51.8048 19.1770 179.0306 56 G 3.7565 8.7510 107.8615 45.8196 0.0000 176.0431 57 H 3.6621 7.9268 116.5583 58.1467 28.3627 176.7220 58 C 4.5360 7.7006 118.5540 59.6147 36.6747 175.2575 59 T 4.5072 7.8200 110.9611 62.6119 68.4933 173.6842 59A D 4.5744 7.1211 120.8682 55.3804 40.9071 176.1723 59B G 4.0733 9.2692 114.1300 46.3730 0.0000 172.1282 60 A 4.5076 7.8645 122.4328 50.8570 20.2739 175.2200 61 T 4.4502 7.3013 105.6837 62.5570 71.2573 173.5573 62 T 4.2498 7.4714 119.8211 61.8317 70.1391 174.3977 59A W 4.5944 7.0311 121.7682 58.6804 29.4071 175.9723 59B W 4.7733 9.1892 126.6300 58.7730 26.5025 173.3282 60 A 4.5076 7.8645 122.4328 50.8570 20.2739 175.2200 61 N 4.8402 7.5513 110.7837 53.8570 40.3573 174.0573 62 S 4.3698 7.6314 121.9211 58.3317 64.1391 174.2977 69 A 3.7611 7.4729 122.5454 54.4984 18.7123 177.4818 *80 R 3.8674 7.6391 114.4911 56.7042 30.9212 175.7484 81 T 4.4086 7.9703 105.4292 61.3382 71.0061 174.0676 82 T 4.6134 8.2123 118.6576 61.7006 69.7537 174.3478 83 V 3.7151 8.6332 127.0038 63.2626 32.2511 174.8885 84 L 4.6457 8.5580 125.7296 54.7886 43.6615 176.8442 85 G 4.7526 7.7143 103.5420 45.4933 0.0000 171.1131 *87 T 4.7711 7.5152 108.0126 61.5677 70.4337 173.6674 88 T 4.3037 9.0234 120.5136 64.7582 68.4292 173.9410 88A S 4.6731 9.0614 121.2868 58.8356 65.5095 174.3463 89 G 4.2168 7.6776 104.3804 45.6787 0.0000 172.3822 90 S 5.1423 8.5257 114.9497 57.1013 65.8801 173.7128 91 S 4.2441 9.3157 121.7750 56.5095 64.6991 172.3056 *94 F 5.5714 8.7827 127.9847 57.4328 40.6045 173.9902 95 P 3.3678 0.0000 0.0000 62.3310 32.4543 175.0663 *100 N 4.8644 8.6367 111.5965 53.2964 40.5900 174.1037 101 N 5.4183 7.4575 112.6019 51.7855 42.1768 173.7216 102 D 5.6303 8.8029 116.7276 53.2130 41.0141 173.6663 103 Y 5.2612 8.7282 119.6218 55.7297 42.5623 175.3291 104 G 4.6273 9.0740 106.2691 45.6430 0.0000 171.8010 105 I 4.9523 8.5500 120.2827 58.8749 42.0782 173.9992 106 V 4.4018 7.9010 127.4992 60.8076 34.5180 174.0918 107 R 4.3267 8.7837 129.1176 55.4297 31.2107 175.0620 108 Y 4.8716 8.4187 125.4326 58.4928 38.1131 176.1163 109 T 4.3763 9.2218 112.4355 61.2119 70.5805 173.0898 110 N 4.8702 8.2061 121.4379 52.3235 39.0374 174.5244 111 T 4.0765 8.5042 117.2523 64.0198 69.4637 175.7500 112 T 4.1398 7.7152 111.0935 62.9637 69.7497 175.2571 113 I 3.7405 7.5615 122.0570 59.8139 38.5432 173.4620 113A P 4.3066 0.0000 0.0000 62.9534 31.6578 176.7909 114 K 4.2858 7.9748 119.8657 54.3227 32.1493 174.0015 *119 D 4.6789 7.3341 117.8304 54.2030 43.1962 177.1562 120 G 3.4877 8.4399 115.0755 44.7818 0.0000 171.2744 120A T 4.9480 7.1165 108.4873 59.9970 72.7885 173.3766 120B V 4.3546 8.4548 120.6455 61.3844 32.7827 175.9908 120C G 3.7040 8.3357 120.5286 46.4213 0.0000 174.8256 120I G 3.5903 8.7522 111.4915 47.8383 0.0000 173.2216 120J Q 3.9879 8.0039 122.6962 55.5657 29.2783 174.7476 120K D 4.6965 8.5159 125.2380 54.0119 42.1272 174.8174 121 I 4.7329 7.9104 125.9093 59.9328 38.4471 175.5263 122 T 4.6804 9.2036 116.4084 62.0619 71.2931 173.4534 123 S 4.8356 7.9894 114.5799 58.1429 66.4836 172.7274 124 A 5.1649 8.3778 120.5402 50.4385 21.6304 175.1467 125 A 4.4482 8.5727 120.2552 50.9474 23.7717 175.1835 123 N 5.1056 8.0794 117.5799 52.9429 41.5836 173.3274 124 A 5.1649 8.3778 120.5402 50.4385 21.6304 175.1467 125 T 4.4782 8.4827 110.0552 60.2474 74.4717 172.0835 132 V 3.6829 8.1692 122.8783 64.5063 32.0272 176.5021 133 G 3.9588 9.2421 115.4754 45.1542 0.0000 173.4584 134 M 4.1913 7.7146 120.3278 55.4553 33.4408 174.8593 135 A 4.6441 8.4994 128.1697 51.8988 19.4302 176.9060 136 V 4.5650 8.8766 115.3352 59.9691 36.7179 174.7074 137 T 4.8447 8.5139 118.0672 61.7545 72.7353 173.1355 138 R 5.6269 8.8966 124.1703 53.5959 33.5275 174.0548 139 R 5.1730 8.6251 123.6912 54.7768 33.5427 174.0312 140 G 4.3175 8.8584 111.8204 44.9091 0.0000 173.1659 141 S 4.4262 9.0831 115.1625 59.9909 63.8471 175.4677 142 T 4.2806 8.3925 118.6463 65.6533 69.1082 176.5347 143 T 4.3573 7.9838 109.1551 62.2601 70.8667 174.2798 *156 G 4.3237 7.4318 109.0000 46.9375 0.0000 172.3838 157 T 5.3515 8.5518 121.4076 62.3162 70.2283 173.9476 158 H 4.9158 9.2454 122.6666 54.1471 33.3482 172.6791 159 S 5.0556 8.2958 116.3148 57.1114 66.1755 174.4614 160 G 4.0839 8.0003 106.0393 47.0394 0.0000 172.2802 161 S 5.2252 8.6532 116.5794 56.7915 68.4041 173.5228 162 V 4.3506 8.5522 122.2673 62.9643 31.8128 176.3892 163 T 4.6738 8.6960 117.4531 62.0706 70.5236 174.1638 164 A 4.6349 7.6278 121.7353 51.1250 22.4148 175.0074 165 L 4.9626 8.4242 119.0492 52.9291 45.2895 175.3572 166 N 4.1606 8.7976 115.5840 54.6811 37.4140 174.0992 167 A 4.3947 8.3735 118.0080 51.7952 20.1709 177.4751 168 T 4.6002 8.2585 117.2865 61.9590 70.4973 174.5253 169 V 3.8129 8.1287 125.5360 60.8282 34.9085 173.4375 170 N 4.7523 8.2876 126.6293 52.3211 39.1769 174.0493 171 Y 4.4206 8.7203 124.6362 58.3762 38.8872 177.0033 172 G 3.8938 8.4378 105.8917 46.1291 0.0000 173.7883 173 G 3.6807 9.3273 104.4878 46.3055 0.0000 174.8763 174 G 3.7743 8.5307 105.5196 44.9221 0.0000 173.4803 175 D 4.6581 7.9661 120.3976 52.6389 42.0782 175.5257 176 V 4.5188 8.0694 123.1294 60.8350 34.3400 174.9846 177 V 4.5754 8.2180 119.8280 59.7325 35.3455 174.1437 178 Y 4.6741 8.5756 120.2860 56.3599 41.7256 175.4087 179 G 4.0028 8.8764 106.4397 47.0073 0.0000 173.9380 180 M 4.6958 8.1961 119.0876 54.8884 33.7705 175.4487 181 I 4.6769 9.0574 123.0034 60.3901 39.1694 174.7437 182 R 4.8522 8.9376 128.1652 55.2882 31.9580 175.1863 183 T 5.2125 8.5937 115.3917 59.9501 73.2056 173.2805 184 N 4.6842 8.2949 116.1082 52.6928 38.0138 175.1228 185 V 3.8287 7.8565 119.7849 62.8302 32.5191 172.7797 *189 C 4.6526 8.6186 119.2036 55.8392 42.6194 172.3162 190 A 4.6546 7.7873 120.8799 51.7270 21.5068 175.0621 191 E 4.7697 9.3901 118.6558 53.4929 33.8212 173.7276 192 P 4.3302 0.0000 0.0000 64.6482 31.7269 175.8379 193 G 4.6086 8.8260 109.1550 47.2331 0.0000 174.7260 194 D 4.4410 8.3676 118.9206 56.1576 41.3422 176.6380 195 S 4.2259 7.9456 115.4739 60.4286 63.4515 175.4571 196 G 4.3267 8.7480 112.7557 46.3981 0.0000 173.8841 197 G 4.1694 7.9652 107.0924 44.9928 0.0000 171.5440 198 P 4.8541 0.0000 0.0000 62.2346 33.2641 174.6026 199 L 5.1848 9.2733 124.3151 53.5332 44.5884 174.7882 200 Y 5.3020 9.2652 124.0278 55.5988 42.6180 174.2115 201 S 4.5841 9.0744 114.2838 55.8495 65.2401 174.9078 202 G 3.7512 8.7599 120.4631 47.3014 0.0000 173.6951 *207 T 4.9498 8.3713 115.7949 60.9691 71.0820 171.6054 208 R 5.0080 8.1990 122.1927 54.9789 32.1676 175.3107 209 A 4.4588 8.7742 125.7101 51.8497 19.0052 176.4409 210 I 4.4276 8.7747 122.5963 62.6738 40.4407 175.6296 211 G 4.4877 7.8433 106.2644 45.8355 0.0000 171.5988 212 L 5.5441 8.8180 119.2823 52.7723 45.0117 176.8977 213 T 3.5209 9.3086 121.3217 64.3942 68.8735 173.8356 214 S 4.3919 8.5634 121.2411 59.0993 63.9417 173.8068 215 G 4.0618 6.6063 103.6162 46.7629 0.0000 171.0130 216 G 4.6145 8.0452 106.2280 46.1621 0.0000 172.5810 217 S 4.6713 8.4348 113.4720 56.7353 66.6997 174.6556 *219D G 3.9874 8.3028 108.5912 46.3925 0.0000 170.6910 220 N 4.7511 8.0098 115.4739 52.3498 40.1755 174.1224 220A C 4.5217 9.2787 114.5406 57.9366 40.2864 174.8721 221 S 4.4767 8.2763 116.0660 59.9601 63.5481 175.2798 222 S 4.4602 8.9829 114.5777 57.7393 63.8792 174.7420 222A G 3.8792 8.2344 108.7654 44.3979 0.0000 173.1559 222A G 3.8792 8.2344 108.7654 44.3979 0.0000 173.1559 225 T 4.8541 8.3780 115.3080 61.8665 71.6283 173.9508 226 T 4.8950 8.4244 122.0650 61.6849 72.4014 172.8268 227 F 5.5040 9.4326 125.0808 55.9902 41.7007 174.8616 228 F 5.3268 9.5168 121.1518 55.6564 43.2620 173.8531 229 Q 4.7048 9.2479 124.7617 54.8646 29.8340 173.3399 230 P 4.9067 0.0000 0.0000 63.2648 31.9689 177.9991 231 V 3.4814 8.9327 125.1164 64.8284 31.4229 178.6429 232 T 3.7483 7.9444 110.1742 64.8888 68.4061 175.6872 233 E 3.7963 7.7346 121.4064 58.8500 29.6531 178.7058 234 A 2.7317 7.4906 120.2677 54.4175 18.5284 179.3252 235 L 3.8797 7.9222 117.7683 58.0421 41.4833 180.0323 236 V 3.5065 7.5619 116.6851 65.8528 31.5333 177.6766 237 A 3.9301 7.4440 119.3199 54.3493 18.2133 178.1653 238 Y 4.6892 7.5295 112.4508 56.6273 39.3623 175.6278 239 G 3.7960 8.0955 107.7061 47.1124 0.0000 173.2916 240 V 4.7361 7.5856 109.7754 59.3527 35.9454 175.8529 241 S 4.7904 8.8486 116.2412 56.9783 67.3938 174.6549 242 V 4.5170 8.3388 115.4267 61.3866 32.7829 176.0873 243 Y 4.4000 7.4813 118.9434 57.5760 37.7672 174.8074 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 16 I 8.01 4.40 1.89 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 1.38 1.39 1.04 0.00 0.00 17 S 9.26 4.38 0.00 4.07 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.40 3.40 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 0.00 19 G 9.14 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 D 7.96 4.54 0.00 2.66 2.60 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 32 A 8.48 4.60 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 33 I 8.30 4.82 2.05 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.97 0.51 0.00 0.00 34 Y 9.19 5.54 0.00 3.12 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 35 S 8.64 4.85 0.00 2.94 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 *38 S 8.70 4.46 0.00 4.01 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 39 T 7.45 4.09 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 1.27 0.00 0.00 40 G 7.26 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 41 R 8.58 5.03 0.00 1.69 1.70 0.00 2.97 0.00 0.00 2.82 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 42 C 8.89 5.17 0.00 2.92 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 43 S 8.61 5.22 0.00 3.78 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 44 L 8.73 3.43 0.00 1.25 1.40 0.33 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 44A G 9.61 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 45 F 7.95 4.98 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.88 5.41 0.00 2.69 2.97 0.00 0.00 6.73 7.68 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 47 V 9.33 5.18 2.28 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 0.87 0.00 0.00 1.14 0.00 0.00 48 R 9.20 5.18 0.00 1.35 1.63 0.00 2.53 0.00 0.00 2.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 48A S 8.83 4.55 0.00 3.87 3.83 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 48B G 8.92 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 48C S 9.04 4.44 0.00 3.80 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 49 T 7.91 4.40 4.35 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 0.96 0.00 0.00 50 Y 8.17 5.21 0.00 2.96 3.11 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 51 Y 9.40 5.21 0.00 2.91 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 52 F 8.55 5.55 0.00 3.17 3.35 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 53 L 9.04 5.12 0.00 1.79 1.75 1.06 0.65 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 54 T 8.46 4.67 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 0.87 0.00 0.00 55 A 8.48 4.36 1.10 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 0.00 0.00 56 G 8.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.93 3.66 0.00 2.52 1.31 0.00 5.56 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.70 4.54 0.00 3.10 3.38 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 59 T 7.82 4.51 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 1.17 0.00 0.00 59A D 7.12 4.57 0.00 2.95 2.73 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 59B G 9.27 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 0.00 0.00 0.00 60 A 7.86 4.51 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 61 T 7.30 4.45 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 1.20 0.00 0.00 62 T 7.47 4.25 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 -0.01 0.00 0.00 59A W 7.03 4.59 0.00 3.52 3.35 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.31 0.00 0.00 83 V 8.63 3.72 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 84 L 8.56 4.65 0.00 1.98 1.93 1.03 1.05 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 85 G 7.71 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 T 7.52 4.77 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 1.16 0.00 0.00 88 T 9.02 4.30 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 1.30 0.00 0.00 88A S 9.06 4.67 0.00 3.59 3.86 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 89 G 7.68 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 0.00 0.00 0.00 0.00 90 S 8.53 5.14 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 91 S 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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 0.79 1.35 -0.06 0.00 0.00 106 V 7.90 4.40 1.10 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 0.38 0.00 0.00 0.01 0.00 0.00 107 R 8.78 4.33 0.00 1.90 1.69 0.00 3.00 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 0.00 108 Y 8.42 4.87 0.00 3.06 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 0.00 109 T 9.22 4.38 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 1.25 0.00 0.00 110 N 8.21 4.87 0.00 2.89 2.92 0.00 0.00 7.05 7.70 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 0.00 111 T 8.50 4.08 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 1.22 0.00 0.00 112 T 7.72 4.14 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 1.20 0.00 0.00 113 I 7.56 3.74 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.92 0.00 0.00 113A P 0.00 4.31 0.00 2.17 1.99 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 114 K 7.97 4.29 0.00 1.48 1.61 0.00 1.03 0.00 0.00 1.03 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.02 7.81 *119 D 7.33 4.68 0.00 2.67 2.64 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 0.00 120 G 8.44 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120A T 7.12 4.95 4.41 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 1.18 0.00 0.00 120B V 8.45 4.35 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 0.86 0.00 0.00 0.64 0.00 0.00 120C G 8.34 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 120I G 8.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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124 A 8.38 5.16 1.07 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 0.00 125 T 8.48 4.48 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 1.21 0.00 0.00 132 V 8.17 3.68 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 0.80 0.00 0.00 0.95 0.00 0.00 133 G 9.24 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 0.00 0.00 0.00 134 M 7.71 4.19 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 135 A 8.50 4.64 1.19 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 0.00 136 V 8.88 4.57 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 0.57 0.00 0.00 0.80 0.00 0.00 137 T 8.51 4.84 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 138 R 8.90 5.63 0.00 1.88 1.80 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0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.37 4.39 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 0.00 168 T 8.26 4.60 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 169 V 8.13 3.81 1.22 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 0.06 0.00 0.00 -0.25 0.00 0.00 170 N 8.29 4.75 0.00 2.55 2.56 0.00 0.00 7.18 7.54 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 0.00 171 Y 8.72 4.42 0.00 3.30 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 G 8.44 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 0.00 173 G 9.33 3.68 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 0.00 0.00 0.00 174 G 8.53 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 0.00 175 D 7.97 4.66 0.00 2.95 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 0.00 176 V 8.07 4.52 1.90 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 0.29 0.00 0.00 0.81 0.00 0.00 177 V 8.22 4.58 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 0.95 0.00 0.00 0.78 0.00 0.00 178 Y 8.58 4.67 0.00 2.84 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 8.88 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 0.00 180 M 8.20 4.70 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 181 I 9.06 4.68 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.97 0.00 0.00 182 R 8.94 4.85 0.00 2.12 1.95 0.00 3.19 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 183 T 8.59 5.21 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 1.23 0.00 0.00 184 N 8.29 4.68 0.00 2.67 2.89 0.00 0.00 6.91 8.90 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 0.00 185 V 7.86 3.83 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 1.12 0.00 0.00 0.88 0.00 0.00 *189 C 8.62 4.65 0.00 3.14 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 0.00 190 A 7.79 4.65 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 0.00 191 E 9.39 4.77 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 192 P 0.00 4.33 0.00 2.02 1.98 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 193 G 8.83 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.37 4.44 0.00 2.89 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 0.00 195 S 7.95 4.23 0.00 3.85 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 0.00 196 G 8.75 4.33 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 0.00 197 G 7.97 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.85 0.00 1.90 1.06 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.57 0.00 199 L 9.27 5.18 0.00 0.83 1.38 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 9.27 5.30 0.00 3.30 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 0.00 201 S 9.07 4.58 0.00 3.80 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 0.00 202 G 8.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *207 T 8.37 4.95 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 1.27 0.00 0.00 208 R 8.20 5.01 0.00 1.87 1.86 0.00 3.11 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 209 A 8.77 4.46 0.16 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 0.00 0.00 210 I 8.77 4.43 1.95 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 1.34 1.24 0.89 0.00 0.00 211 G 7.84 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 L 8.82 5.54 0.00 1.79 1.68 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 213 T 9.31 3.52 4.41 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 1.01 0.00 0.00 214 S 8.56 4.39 0.00 3.98 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 G 6.61 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 0.00 216 G 8.05 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.43 4.67 0.00 3.90 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 *219D G 8.30 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 0.00 220 N 8.01 4.75 0.00 3.12 2.90 0.00 0.00 7.45 7.84 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 220A C 9.28 4.52 0.00 2.99 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 0.00 221 S 8.28 4.48 0.00 3.97 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 0.00 222 S 8.98 4.46 0.00 3.80 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 222A G 8.23 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 222A G 8.23 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 0.00 225 T 8.38 4.85 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 0.80 0.00 0.00 226 T 8.42 4.89 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 0.77 0.00 0.00 227 F 9.43 5.50 0.00 2.99 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 0.00 228 F 9.52 5.33 0.00 2.99 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 0.00 229 Q 9.25 4.70 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.85 2.62 0.00 230 P 0.00 4.91 0.00 2.17 2.04 0.00 3.80 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 231 V 8.93 3.48 2.20 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 0.75 0.00 0.00 0.95 0.00 0.00 232 T 7.94 3.75 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 233 E 7.73 3.80 0.00 1.95 1.91 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 2.31 2.35 0.00 234 A 7.49 2.73 0.95 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 0.00 0.00 235 L 7.92 3.88 0.00 1.77 1.81 0.82 1.07 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 0.00 236 V 7.56 3.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 237 A 7.44 3.93 0.81 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 0.00 238 Y 7.53 4.69 0.00 2.83 2.66 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 0.00 239 G 8.10 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 V 7.59 4.74 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 0.45 0.00 0.00 0.91 0.00 0.00 241 S 8.85 4.79 0.00 3.77 3.69 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 0.00 242 V 8.34 4.52 1.94 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 0.41 0.00 0.00 0.81 0.00 0.00 243 Y 7.48 4.40 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.