NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 78 A 4.3676 8.1233 123.5883 52.0779 21.2905 178.6790 79 R 4.0680 7.6354 113.4612 57.3445 30.5632 173.7670 80 V 3.8298 8.6710 119.3443 66.2689 31.9669 177.7916 81 S 4.2240 8.1769 114.4116 61.5242 62.5651 175.6724 82 D 4.2986 7.6127 117.7289 57.4595 40.9194 178.4691 83 V 3.5013 7.7404 117.9490 65.9863 31.5637 177.6268 84 E 4.1893 8.4518 119.0378 59.3882 29.3105 178.4057 85 E 3.9327 8.3106 119.2817 59.4633 29.3053 178.9386 86 Q 3.8908 7.9066 118.1236 58.6940 28.7055 178.5144 87 V 3.7707 8.0974 119.5772 66.4652 31.4834 177.9567 88 N 4.3764 8.2952 116.2686 56.0336 38.1019 177.2031 89 Q 3.9089 7.5371 118.6832 59.7527 28.4471 178.3894 90 Y 4.4457 7.3659 116.7200 59.7572 38.2558 176.6828 91 L 4.5207 7.9810 118.6554 54.5849 42.9302 176.8421 92 S 4.3357 7.5895 113.1589 58.8941 62.6874 175.9586 *94 V 3.6099 7.3853 118.7693 63.1446 31.4521 171.0868 95 P 4.2353 0.0000 0.0000 62.4862 30.4850 176.3428 96 E 4.1921 8.0465 124.7627 55.4348 30.6682 175.3386 *101 Q 4.1604 8.1830 128.8363 55.9440 30.0731 176.3566 102 N 4.6692 7.7506 113.5219 54.0226 39.0511 177.0837 103 V 3.6611 7.6415 121.0198 65.7229 32.0191 177.5434 104 S 4.2428 8.0222 113.6623 61.6829 62.4958 175.9284 105 E 3.9525 8.2770 123.1745 58.5608 29.2438 178.3419 106 L 4.1567 7.9147 118.0219 56.8053 41.9014 178.4736 107 L 3.9041 7.6546 118.9707 58.4223 41.6293 179.7783 108 S 4.1494 7.8899 113.1341 61.3664 63.0053 175.9308 109 L 3.9092 7.4080 122.6726 57.7342 41.7978 178.6051 110 L 4.1043 7.5262 117.9884 57.3970 41.8889 178.7021 111 S 4.2696 8.3439 114.4198 60.6559 63.0959 175.1411 112 N 4.4486 7.7019 118.7407 53.7715 39.0417 173.9319 113 S 3.6809 8.6083 119.2493 58.3642 60.1895 168.9561 114 P 4.5762 0.0000 0.0000 63.9460 31.9409 177.6271 115 N 4.9402 7.5872 116.9215 52.9648 38.1248 173.8336 116 I 4.5364 7.2951 119.5337 59.4462 40.8544 176.0942 117 S 4.6936 8.1117 117.4865 56.4998 64.9156 174.9312 118 L 3.9693 8.4268 123.2860 58.1710 41.9617 178.5836 119 S 4.3206 7.9616 112.0260 61.0527 63.6152 175.4820 120 Q 4.1052 7.9682 120.8451 58.9096 28.7442 178.5635 121 L 4.1095 8.0800 115.4599 56.0660 41.8302 178.0673 *123 A 4.2778 8.0410 122.0373 52.0290 20.4463 178.8671 124 Y 4.0879 8.3938 115.7194 61.1948 38.8387 178.4105 125 L 4.0639 7.9487 118.1161 57.6548 41.7510 178.7462 126 E 4.3308 8.2157 118.3003 59.0639 29.5784 179.1763 127 G 3.5635 7.5609 101.8204 44.3749 0.0000 173.0862 *129 S 4.2527 7.5552 114.0471 57.4596 64.0617 173.8172 130 E 3.9355 8.8167 122.9339 59.0782 29.6742 177.3838 131 E 4.2245 8.0528 119.9261 54.8008 30.4559 174.6541 132 P 4.2916 0.0000 0.0000 66.1494 31.2354 178.6078 133 S 4.3372 8.2076 111.7311 61.4430 62.9469 176.1687 134 E 4.1601 8.0982 121.0193 59.2051 29.6821 178.7630 135 Q 4.2223 8.1533 118.1441 58.8509 28.7942 179.1240 136 F 4.0983 8.5062 118.9536 59.6469 39.4989 176.3715 *138 M 4.4356 8.0072 118.5892 54.9506 33.9461 177.9217 139 L 3.9834 7.6737 118.1393 57.8963 41.7060 179.3298 140 C 4.1110 7.9160 116.9107 62.4873 27.8980 176.3848 141 G 3.5907 7.8158 107.0999 47.6998 0.0000 175.7025 142 L 4.0060 8.3417 121.8389 57.3179 41.4424 179.3577 143 R 3.8790 8.0128 118.2964 59.4287 30.0250 178.1934 144 D 4.4301 7.7292 116.9013 57.4196 40.0298 178.5128 145 A 4.1111 8.2026 120.8362 53.8369 19.2798 177.2995 146 L 4.4000 7.2347 120.5412 54.0895 39.0141 176.8361 *148 G 3.9718 7.6709 107.7239 45.1745 0.0000 172.1513 149 R 4.6192 7.0446 116.0982 55.3389 30.5781 176.0699 150 P 4.5235 0.0000 0.0000 62.9704 29.5235 176.5107 151 E 4.6538 8.0564 125.9859 56.5580 29.5896 175.8061 152 L 3.6268 7.7524 110.1483 55.6921 39.6001 176.3886 153 A 4.4168 7.7931 119.4047 51.4361 17.4818 176.9254 154 H 5.0168 7.7614 120.3539 54.8957 33.5792 173.1834 155 L 4.1782 8.2731 123.3469 54.5476 39.0085 176.0965 156 S 4.1697 7.5320 114.4572 61.2879 62.5951 175.8141 157 H 4.1309 8.0093 121.8623 59.2522 29.4305 176.9448 158 L 3.8561 7.6963 120.9350 57.5569 41.4680 179.3622 159 V 3.4434 7.6523 117.7639 66.1521 31.3729 177.6762 160 E 4.0775 7.9258 117.5502 58.9010 29.3500 179.1177 161 Q 3.9419 7.9263 118.2136 58.6831 28.6543 178.4973 162 A 3.9696 8.5540 122.2273 55.2636 18.4317 179.4914 163 L 3.9105 7.8780 117.4110 58.1258 41.6432 180.1610 164 V 3.6200 7.8329 117.9947 65.8699 31.4392 177.8114 165 S 4.1068 8.2400 113.0334 61.9291 62.1248 176.2267 166 M 4.1432 8.5143 121.2711 58.3463 31.4960 178.6575 167 A 3.9821 8.2139 120.1410 55.1641 18.6413 179.2627 168 E 4.1012 8.2648 116.1803 59.3506 29.7865 178.7085 169 E 4.3837 8.4735 117.3418 57.6484 30.1758 177.2464 170 Q 4.5658 8.2671 115.5632 54.6382 31.0215 176.9271 171 G 3.7153 8.4138 107.1298 48.1045 0.0000 175.5605 172 E 3.9190 8.0617 121.5369 59.2040 29.7899 178.6181 173 T 3.8508 7.9408 115.2255 66.8484 68.4780 176.4613 174 I 3.7022 7.7788 121.5230 64.3125 37.0845 178.7141 175 V 3.6327 7.8159 119.1112 65.9275 31.3953 178.1001 176 L 4.1558 8.3400 119.2952 57.7605 41.1637 179.7569 177 G 3.6407 8.3446 105.5531 47.5713 0.0000 175.7528 178 A 4.0609 7.8794 122.2967 54.9706 18.5476 179.1787 179 R 2.5100 7.5993 116.3977 58.7292 30.1942 177.7699 180 I 3.8875 7.2849 116.0451 61.8266 38.1999 177.3257 181 T 3.8923 7.2673 115.7098 66.8087 68.3415 174.0464 182 P 4.2961 0.0000 0.0000 65.7999 31.4118 178.5108 183 E 4.0216 8.1815 116.3600 59.4702 29.4633 179.1360 184 A 3.7977 8.4866 121.1515 55.0981 18.1894 178.8377 185 Y 4.1322 8.3114 118.7036 60.3653 39.1802 178.0903 186 R 4.1202 8.0264 118.7749 59.6181 30.0735 178.6918 187 E 3.8871 7.9470 117.4160 59.1316 30.0144 178.6819 188 S 5.0196 8.2839 115.6334 60.2000 62.8968 176.0394 189 Q 3.8489 7.6007 124.1038 59.3712 28.9017 178.3384 190 S 4.2630 7.8310 113.0892 59.5090 62.6290 175.3075 191 G 4.1807 8.2053 113.5758 45.7695 0.0000 175.5412 192 V 3.6809 7.5647 118.6496 64.1307 31.9908 174.6498 193 N 5.0611 7.7551 117.1183 50.5151 39.2780 172.2966 194 P 4.6753 0.0000 0.0000 61.8480 32.5661 177.8405 195 L 3.9400 8.4472 121.5164 58.3185 42.0366 179.0884 196 Q 3.9451 7.9120 118.9669 58.7900 29.2765 175.9141 197 P 4.3246 0.0000 0.0000 65.3390 31.1690 178.5914 198 L 4.1781 7.7561 117.6117 57.9086 41.5636 179.4894 199 R 4.0551 8.1130 117.7997 59.6635 30.0189 178.7348 200 D 4.4418 8.6918 118.7290 57.8860 40.8130 179.2213 201 T 3.9640 8.2320 116.0455 66.7346 68.6182 176.0865 202 Y 4.0859 8.2506 121.4213 60.7294 38.8120 178.0469 203 R 3.7412 8.1195 119.5921 59.6529 30.3086 178.2728 204 D 4.3233 8.4968 118.7166 57.2055 40.5565 178.5820 205 A 4.1433 7.8128 120.7062 54.9443 18.3859 179.3091 206 V 3.6316 7.2598 115.3526 65.1281 31.7811 177.2516 207 M 4.5131 8.1383 117.1440 55.6869 34.2242 176.9678 208 G 4.2193 7.8085 106.1112 44.1495 0.0000 171.9925 209 Y 4.3612 7.8026 119.2283 58.2256 39.9351 175.2349 210 Q 4.2541 7.8629 122.2562 55.2518 30.7453 175.0540 211 G 3.6828 6.0572 104.6794 44.3958 0.0000 174.8990 212 I 3.9257 8.2606 117.5894 63.8748 37.8924 177.2137 213 Y 4.0983 8.0308 120.0932 60.4126 38.7154 177.3867 214 A 3.8062 7.9354 121.2287 55.1546 18.5708 179.2999 215 I 3.6310 7.7806 117.1455 63.8896 38.1326 177.5360 216 W 4.1993 8.3059 129.3085 60.9333 30.1828 178.1565 217 S 3.8896 7.7309 113.4244 61.5296 62.2744 176.1028 218 D 4.4052 7.9548 120.7810 57.0993 40.8199 178.3073 219 L 4.3916 8.1640 119.9406 58.0483 41.4098 180.6690 220 Q 3.5839 7.1400 112.7047 56.7449 28.4204 177.7203 *222 R 4.0350 7.9439 120.9229 55.6514 32.5908 175.7359 223 F 4.9495 7.7576 116.3070 56.0470 39.6154 174.8383 224 P 4.3204 0.0000 0.0000 64.9489 31.8624 176.8933 225 N 4.9675 8.1014 115.9068 52.9361 39.3017 173.8549 226 G 4.3082 7.6888 108.9287 43.3856 0.0000 173.5890 227 D 4.6668 8.5651 119.1270 52.5431 41.4500 177.1451 228 I 3.5139 7.9393 128.5154 63.9153 37.3539 177.5868 229 D 4.3742 8.1776 119.4813 57.7221 40.7174 178.8700 230 S 4.1317 8.1068 112.7566 60.9590 62.3131 176.2429 231 V 3.4261 7.4277 121.2261 65.9256 31.1577 177.8636 232 I 3.7049 7.8446 119.7174 64.3479 36.7117 178.0966 233 L 3.9068 7.6351 119.5928 58.1621 42.0770 178.1126 234 F 4.2766 8.0156 119.1384 61.6927 39.4151 176.9400 235 L 3.9389 8.2866 118.3691 57.6067 41.3615 180.1899 236 Q 4.1099 8.1201 115.0491 56.4202 28.5017 178.2147 *238 A 4.0717 7.9520 124.8941 52.2180 20.6072 180.0496 239 L 4.1080 8.1464 116.0844 57.8966 41.3008 179.9752 240 S 4.1172 7.8784 114.4748 61.3387 63.0287 176.1379 241 A 4.1235 7.8989 123.0473 55.1997 17.8458 178.9915 242 D 4.3343 8.0019 117.3113 57.7421 41.0936 179.0833 243 L 3.9835 8.0583 120.3304 58.0488 41.7382 179.1130 244 Q 4.1217 7.8130 117.9593 58.4256 28.8132 177.7842 245 S 4.5152 7.5180 111.7439 58.8528 63.6372 175.7212 246 Q 4.2515 8.0519 122.4137 59.7955 29.7643 177.3248 247 Q 3.5643 6.5336 122.1383 55.9113 24.6548 175.7304 248 S 4.5582 7.4413 113.0092 57.5367 65.9798 175.4043 249 G 4.1490 6.9591 111.1444 45.5512 0.0000 175.1881 250 S 4.1208 8.4420 117.7614 60.5725 64.1069 176.0216 251 G 3.9138 8.2872 107.8573 48.7845 0.0000 174.5594 252 R 3.9472 8.0557 119.8134 59.1843 30.6033 178.4049 253 E 3.7673 8.3594 114.8850 57.2794 29.4018 178.0309 *255 L 4.1422 8.1245 118.8376 54.3484 43.6555 179.2696 256 G 3.6972 7.8965 105.0465 48.0316 0.0000 175.7402 257 I 3.7812 7.6323 121.4496 63.9408 37.0458 178.6405 258 V 3.0706 7.3877 118.6802 65.7355 31.2677 177.9653 259 I 3.6431 7.5632 119.4553 64.5495 36.7674 178.4687 260 S 4.1271 7.9882 114.6249 61.8239 62.7515 176.1820 261 D 4.6308 8.0166 120.1750 57.5806 40.6867 178.6980 262 L 4.2983 8.1190 118.5769 57.6723 41.6223 179.8398 263 Q 4.0643 7.9141 114.3912 56.7229 29.2336 177.1342 *265 L 4.3284 7.7281 118.3614 54.9406 43.0606 178.6699 *267 E 4.2710 8.1776 119.9730 56.5732 31.3891 178.4610 268 F 3.9878 8.1169 116.9142 60.0656 39.3781 175.5989 *269 G 4.0468 7.8861 110.9321 45.1965 0.0000 172.7036 270 S 4.2507 7.9128 115.3223 60.2858 63.4459 174.8685 271 V 4.3985 7.9658 120.3112 62.3853 32.0385 177.0367 272 S 4.2602 8.0262 114.0996 61.8185 63.1437 175.3956 273 D 4.5636 8.1640 120.0273 57.2158 41.1601 177.5079 274 Q 4.2030 8.2538 117.8817 59.1582 28.9648 179.0760 275 V 3.6774 7.9030 115.3411 63.4288 31.3189 177.8301 *277 G 3.9643 8.2484 108.7271 45.1767 0.0000 175.5839 278 F 4.0677 8.5407 122.2687 60.9116 39.3554 176.9366 279 W 4.5048 8.9906 128.1862 60.8005 30.2234 177.9347 280 Q 3.7168 8.2806 116.8256 58.4958 28.4055 177.7644 281 F 4.1021 7.7843 120.2936 61.2533 39.5508 176.7597 282 F 4.3672 7.6655 115.0070 58.3829 39.1103 176.0269 283 S 4.1601 7.7604 117.8897 58.1286 62.9868 173.8490 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 78 A 8.12 4.37 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 79 R 7.64 4.07 0.00 1.98 2.01 0.00 3.15 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 80 V 8.67 3.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.05 0.00 0.00 81 S 8.18 4.22 0.00 3.94 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 82 D 7.61 4.30 0.00 2.74 2.78 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 83 V 7.74 3.50 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 0.28 0.00 0.00 0.87 0.00 0.00 84 E 8.45 4.19 0.00 2.53 2.26 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 2.40 2.47 0.00 85 E 8.31 3.93 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 86 Q 7.91 3.89 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 87 V 8.10 3.77 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 1.24 0.00 0.00 0.97 0.00 0.00 88 N 8.30 4.38 0.00 2.81 2.86 0.00 0.00 6.86 7.56 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 89 Q 7.54 3.91 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 90 Y 7.37 4.45 0.00 3.16 3.08 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 0.00 0.00 0.00 91 L 7.98 4.52 0.00 1.88 1.70 0.95 1.34 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 92 S 7.59 4.34 0.00 3.99 3.93 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 *94 V 7.39 3.61 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.79 0.00 0.00 95 P 0.00 4.24 0.00 2.05 2.01 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 96 E 8.05 4.19 0.00 1.68 1.72 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 2.12 2.35 0.00 *101 Q 8.18 4.16 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 102 N 7.75 4.67 0.00 2.76 2.88 0.00 0.00 6.61 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 0.00 103 V 7.64 3.66 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 0.92 0.00 0.00 0.93 0.00 0.00 104 S 8.02 4.24 0.00 4.09 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 0.00 105 E 8.28 3.95 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 106 L 7.91 4.16 0.00 1.78 1.69 1.04 0.63 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 0.00 107 L 7.65 3.90 0.00 1.80 1.70 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.89 4.15 0.00 4.03 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 0.00 109 L 7.41 3.91 0.00 1.74 1.62 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.53 4.10 0.00 1.80 1.62 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.34 4.27 0.00 3.90 3.93 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 0.00 112 N 7.70 4.45 0.00 2.70 2.73 0.00 0.00 7.14 6.85 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 0.00 113 S 8.61 3.68 0.00 4.15 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 0.00 114 P 0.00 4.58 0.00 2.19 2.17 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 115 N 7.59 4.94 0.00 2.59 2.74 0.00 0.00 6.90 7.79 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 0.00 116 I 7.30 4.54 1.83 0.00 0.00 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 1.54 0.98 0.87 0.00 0.00 117 S 8.11 4.69 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.43 3.97 0.00 1.58 1.73 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.96 4.32 0.00 4.03 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 0.00 120 Q 7.97 4.11 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.29 2.29 0.00 131 E 8.05 4.22 0.00 2.21 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 0.00 2.38 2.56 0.00 132 P 0.00 4.29 0.00 2.21 2.14 0.00 3.67 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 133 S 8.21 4.34 0.00 4.09 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.10 4.16 0.00 2.16 2.07 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 2.33 2.42 0.00 135 Q 8.15 4.22 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 136 F 8.51 4.10 0.00 3.21 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 *138 M 8.01 4.44 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 139 L 7.67 3.98 0.00 1.65 1.52 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 140 C 7.92 4.11 0.00 2.89 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 0.00 141 G 7.82 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 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.34 4.01 0.00 1.77 1.69 0.92 0.70 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 0.00 143 R 8.01 3.88 0.00 1.83 2.07 0.00 3.24 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 144 D 7.73 4.43 0.00 2.86 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 0.00 145 A 8.20 4.11 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 0.00 146 L 7.23 4.40 0.00 1.74 1.81 0.95 1.05 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 *148 G 7.67 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 0.00 149 R 7.04 4.62 0.00 1.76 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1.23 0.00 0.00 0.00 0.00 0.00 0.00 199 R 8.11 4.06 0.00 2.11 2.06 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 200 D 8.69 4.44 0.00 2.70 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 0.00 201 T 8.23 3.96 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 1.40 0.00 0.00 202 Y 8.25 4.09 0.00 3.16 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 0.00 203 R 8.12 3.74 0.00 2.09 2.12 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 204 D 8.50 4.32 0.00 2.76 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 0.00 205 A 7.81 4.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 V 7.26 3.63 1.73 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 0.75 0.00 0.00 0.30 0.00 0.00 207 M 8.14 4.51 0.00 1.99 2.21 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 2.49 2.75 0.00 208 G 7.81 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 0.00 209 Y 7.80 4.36 0.00 3.04 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 0.00 210 Q 7.86 4.25 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 211 G 6.06 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 0.00 212 I 8.26 3.93 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.98 0.00 0.00 213 Y 8.03 4.10 0.00 3.09 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 0.00 214 A 7.94 3.81 1.29 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 0.00 0.00 0.00 215 I 7.78 3.63 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 1.21 0.00 0.00 216 W 8.31 4.20 0.00 3.48 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 7.73 3.89 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 0.00 218 D 7.95 4.41 0.00 2.77 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 0.00 219 L 8.16 4.39 0.00 1.59 1.58 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 220 Q 7.14 3.58 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.40 1.82 0.00 *222 R 7.94 4.04 0.00 1.52 1.03 0.00 3.09 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.59 0.00 223 F 7.76 4.95 0.00 3.04 2.82 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 0.00 224 P 0.00 4.32 0.00 2.13 2.11 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 225 N 8.10 4.97 0.00 2.67 2.82 0.00 0.00 6.66 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 0.00 226 G 7.69 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 0.00 0.00 0.00 0.00 227 D 8.57 4.67 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 I 7.94 3.51 1.77 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 1.52 0.33 0.77 0.00 0.00 229 D 8.18 4.37 0.00 2.89 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 0.00 230 S 8.11 4.13 0.00 3.87 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 0.00 231 V 7.43 3.43 1.84 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 0.75 0.00 0.00 -0.03 0.00 0.00 232 I 7.84 3.70 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.96 0.00 0.00 233 L 7.64 3.91 0.00 1.67 1.92 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 234 F 8.02 4.28 0.00 2.95 3.32 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 0.00 235 L 8.29 3.94 0.00 1.94 1.69 1.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 236 Q 8.12 4.11 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 *238 A 7.95 4.07 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 0.00 239 L 8.15 4.11 0.00 1.64 1.69 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 240 S 7.88 4.12 0.00 3.85 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 0.00 241 A 7.90 4.12 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 0.00 242 D 8.00 4.33 0.00 2.98 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 0.00 243 L 8.06 3.98 0.00 1.96 1.86 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 244 Q 7.81 4.12 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 245 S 7.52 4.52 0.00 4.04 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 0.00 246 Q 8.05 4.25 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 247 Q 6.53 3.56 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 248 S 7.44 4.56 0.00 3.92 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 0.00 249 G 6.96 4.15 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 0.00 0.00 0.00 250 S 8.44 4.12 0.00 3.88 3.93 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 0.00 251 G 8.29 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 0.00 0.00 0.00 252 R 8.06 3.95 0.00 1.85 2.11 0.00 3.32 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 253 E 8.36 3.77 0.00 2.11 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 2.31 2.29 0.00 *255 L 8.12 4.14 0.00 1.90 1.68 0.90 0.79 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 0.00 256 G 7.90 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 0.00 257 I 7.63 3.78 1.86 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 1.43 0.93 1.04 0.00 0.00 258 V 7.39 3.07 1.89 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 0.75 0.00 0.00 0.10 0.00 0.00 259 I 7.56 3.64 2.00 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 1.48 0.54 0.89 0.00 0.00 260 S 7.99 4.13 0.00 3.98 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 0.00 261 D 8.02 4.63 0.00 3.01 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 0.00 262 L 8.12 4.30 0.00 1.78 1.77 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 263 Q 7.91 4.06 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.18 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 *265 L 7.73 4.33 0.00 2.05 1.93 1.19 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *267 E 8.18 4.27 0.00 1.90 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 2.43 2.22 0.00 268 F 8.12 3.99 0.00 3.33 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 *269 G 7.89 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 270 S 7.91 4.25 0.00 4.02 4.09 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 0.00 271 V 7.97 4.40 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 1.12 0.00 0.00 0.97 0.00 0.00 272 S 8.03 4.26 0.00 4.08 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 0.00 273 D 8.16 4.56 0.00 2.73 2.82 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 0.00 274 Q 8.25 4.20 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.20 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 275 V 7.90 3.68 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 1.00 0.00 0.00 *277 G 8.25 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 0.00 278 F 8.54 4.07 0.00 3.48 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 0.00 279 W 8.99 4.50 0.00 3.70 3.43 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 0.00 280 Q 8.28 3.72 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.87 0.00 281 F 7.78 4.10 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 F 7.67 4.37 0.00 2.94 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 0.00 283 S 7.76 4.16 0.00 3.45 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 * Residues marked with a * may have inaccurate shift predictions.