NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 S 4.3657 8.1885 115.2906 58.0479 64.0838 174.5441 28 A 3.8382 8.4130 126.2707 54.3778 18.3833 178.4086 29 N 4.2793 8.8577 116.4489 56.7327 39.6250 174.8559 30 E 3.9609 8.3135 119.6307 59.6949 29.4859 179.0551 31 R 3.8684 7.7647 117.9367 59.6097 30.0928 178.5281 32 L 4.0582 7.8946 118.0694 57.6843 41.7053 179.7763 33 K 3.9454 8.4408 118.7606 59.5706 31.9713 178.8519 34 N 4.3635 8.0960 117.0525 56.9655 39.0002 176.6647 35 N 4.4013 8.3981 117.8202 56.0157 38.4897 177.2854 36 F 4.1224 8.6814 122.6726 61.4422 39.5467 177.0361 37 N 4.4626 8.4841 116.1348 55.9819 38.1696 177.3383 38 I 3.6994 8.0818 121.7695 64.5491 37.3968 178.2862 39 L 3.9526 7.7191 118.9564 57.8900 41.1403 179.0150 40 Y 3.8014 7.9824 119.5879 60.9087 38.5517 178.0364 41 N 4.3510 8.1390 115.7543 56.1120 38.8828 177.2772 42 Q 3.9982 7.7288 119.8832 58.8306 28.6900 178.3813 43 I 3.7423 7.3980 120.4974 64.6078 36.9567 178.2633 44 R 4.0720 7.0821 115.1241 57.9987 30.0797 178.4467 45 Q 3.9583 7.3247 117.5130 57.5083 29.0926 176.2057 46 Y 4.4580 6.5230 116.2777 56.6121 38.5950 173.7735 47 P 4.4833 0.0000 0.0000 61.7592 32.3675 175.8663 48 A 4.0058 8.4426 121.6506 53.0408 18.5298 176.4339 49 Y 4.1039 8.4619 123.8720 55.8415 40.2854 174.4157 50 Y 4.5903 7.0711 123.0591 56.0474 40.7957 174.8992 51 F 4.8135 8.7896 123.1136 55.4899 40.5519 175.4747 52 K 4.1245 9.5530 128.1864 56.0639 32.1894 176.4751 53 V 4.0230 8.3931 126.7399 61.9905 31.9034 175.3970 54 A 4.2289 8.9786 131.1585 52.4849 18.8807 177.7863 55 S 4.4617 8.6431 116.7962 59.7939 64.6815 174.9498 56 N 4.6496 7.8921 118.9887 51.9350 36.5109 173.6260 57 V 4.0606 7.4472 114.1450 57.9770 35.0040 174.2804 58 P 4.1195 0.0000 0.0000 62.5271 31.9599 176.7443 59 T 4.5020 8.5361 111.3720 61.1073 71.0890 175.1872 60 Y 3.7338 8.8016 121.5145 60.9269 38.4757 178.2542 61 S 4.0003 8.0598 113.4499 61.1914 63.3656 175.7016 62 D 4.5049 7.8475 123.1413 57.2755 40.3935 178.6960 63 I 3.9239 7.2679 111.5348 63.7115 37.7417 177.6825 64 C 4.0899 7.3272 117.7155 61.5768 27.9285 174.6040 65 Q 4.4481 7.5098 116.9034 54.7036 30.3619 175.5640 *69 V 3.6449 7.1663 119.6918 62.7021 32.3897 173.6711 70 M 4.8242 8.2367 126.7288 54.3761 33.2962 175.2110 71 Y 4.7790 8.7380 120.5924 57.5714 41.4816 175.6756 72 Q 3.6949 10.2144 123.9884 57.0804 26.6652 175.0424 73 G 3.9890 8.5225 105.8484 45.2216 0.0000 173.2036 74 F 4.9713 8.5704 119.5713 56.1489 40.9547 174.8585 75 Q 4.6570 9.3906 126.1264 55.6018 30.3514 174.2535 76 I 5.0097 8.7675 127.7227 59.7200 39.3276 175.5029 77 V 4.4116 8.8608 120.1694 59.6220 35.3097 174.4546 78 N 5.1905 8.8278 125.1758 52.6134 38.9770 172.9322 *79 H 4.6337 8.3341 119.9551 52.8758 29.3495 176.6297 80 S 4.3092 8.6997 117.9621 59.6722 62.9329 175.7512 81 G 3.7632 7.9980 110.0137 48.2141 0.0000 172.5215 82 D 4.6866 7.7539 118.3159 51.9635 42.6483 175.8001 83 V 3.8368 8.1065 116.4429 62.5216 32.0552 175.4632 84 F 5.3048 7.7604 119.6642 56.2150 41.7660 175.1185 85 I 4.5469 8.7829 122.1056 60.1467 39.2377 174.5295 86 H 5.0594 9.3834 125.1869 54.4150 30.8976 174.2612 87 A 4.8727 8.6040 124.0656 50.1052 22.0730 174.7842 88 C 4.9467 8.7516 122.4499 57.9018 34.5709 172.8720 89 R 4.2553 8.9844 128.8069 55.5228 29.9017 177.1520 90 E 4.0127 8.6129 125.4110 58.2378 29.8376 176.9955 91 N 4.8143 7.0251 118.1817 49.7637 38.4134 171.9420 92 P 4.4333 0.0000 0.0000 63.2016 31.9704 177.0213 93 Q 4.4162 8.9558 118.9858 56.1137 29.2952 175.5337 *96 G 3.8838 7.7586 105.3990 46.1611 0.0000 172.9108 97 D 4.7465 8.4143 118.5317 53.8624 42.2946 175.9839 98 F 4.6359 8.9131 125.2255 58.0734 39.8525 175.0829 99 V 4.0753 7.7174 124.9197 61.5064 31.9586 175.7709 100 G 3.5775 5.7548 110.4470 45.9133 0.0000 173.6511 101 D 4.9817 7.5787 121.0018 53.1207 42.2021 175.8273 102 K 5.1885 8.6300 121.7343 55.6672 36.7561 174.8895 103 F 5.4898 9.1211 118.7629 56.1838 43.0028 173.9637 104 H 5.5634 9.6128 118.8496 54.2691 32.0148 173.3071 105 I 4.9209 8.6520 122.0615 59.7760 39.9640 174.6501 106 S 5.3004 9.3954 123.8765 57.0734 64.7548 173.3652 107 I 5.1097 9.2004 125.5403 58.7545 41.0881 175.0705 108 A 3.9273 8.8021 126.8980 52.6831 18.4694 178.2027 109 R 3.8057 9.1482 123.2482 59.7854 30.0482 178.3352 110 E 4.1044 8.1469 114.1653 58.3231 29.8415 178.0588 111 Q 4.5171 8.1287 117.5750 55.4384 29.1310 177.3575 112 V 3.5957 7.3068 120.9277 65.7285 31.6516 176.2586 113 P 3.6666 0.0000 0.0000 65.2963 31.1643 178.3855 114 L 3.9962 7.8417 118.5297 57.9914 41.9821 178.7277 115 A 3.9589 8.2095 120.9612 54.8129 18.2851 179.3540 116 F 4.2628 8.5471 119.4624 61.6606 39.3077 177.2271 117 Q 3.8380 7.9679 117.9062 59.1362 28.8994 177.8939 118 I 3.7574 7.4790 120.2092 63.8409 37.4288 177.6849 119 L 4.0033 7.8372 119.1876 55.9233 41.7189 179.0770 120 S 3.9079 7.6351 114.9898 61.0447 62.7459 176.7153 121 G 3.6502 7.8668 108.9064 46.7551 0.0000 175.6238 122 L 4.0864 7.5536 120.6747 57.6819 41.8393 179.1349 123 L 3.7656 7.5200 117.1382 56.8425 41.3198 178.6288 124 F 4.4037 7.7080 115.3005 56.0892 39.8485 175.8206 125 S 4.4911 7.8713 115.5687 58.0391 62.7237 175.0578 126 E 4.3119 8.9896 124.7009 58.7668 29.6257 177.2144 127 D 4.8011 8.2172 118.1586 54.6385 41.4965 176.7350 128 S 3.6438 7.8804 115.5027 57.7352 62.6643 171.8656 129 P 4.4615 0.0000 0.0000 62.8346 31.3473 175.5286 130 I 4.4268 7.2567 120.6714 60.2514 38.0116 175.0435 131 D 4.8270 8.7816 125.8272 55.3461 42.6706 176.3260 132 K 5.1912 8.2722 119.9412 54.3270 35.4320 175.0343 133 W 5.9690 9.0455 125.8494 55.6918 32.4629 174.5860 134 K 5.3459 9.2965 122.5362 53.7122 36.1382 175.5989 135 I 5.1694 8.8171 121.3714 59.2838 41.5233 174.6654 136 T 4.1156 8.9644 125.8696 64.6622 69.7725 172.9150 137 D 4.8016 9.0967 126.6389 53.0678 40.8166 176.5997 138 M 4.0079 9.4401 127.3036 57.9714 32.3505 178.0400 139 N 4.5698 7.9173 114.8203 55.0623 39.0531 176.3021 140 R 4.2295 7.9518 115.7020 56.5266 30.7461 176.7651 141 V 4.2015 7.2528 117.0624 59.9412 33.3281 175.9796 142 S 4.4351 8.1232 116.9814 58.3037 63.7629 175.7719 143 Q 3.9561 8.6791 121.9386 59.4186 28.5836 177.6523 144 Q 4.4315 7.8424 113.1728 55.7274 29.1396 176.2315 145 S 4.2691 7.7213 116.9978 58.8362 63.6142 175.8655 146 R 4.3039 8.7825 130.6928 60.7282 29.2175 175.7571 147 V 4.5905 7.8344 114.9310 62.4157 32.1659 177.0126 148 G 3.9543 7.7428 105.0716 45.8334 0.0000 174.9897 149 I 4.0358 8.4768 120.6085 63.4333 38.0738 175.1293 150 G 4.6108 8.5351 104.1571 47.4719 0.0000 171.9433 151 A 3.9870 8.8999 119.6210 53.2828 16.7447 178.3543 152 Q 4.5910 8.1829 119.7758 58.2015 30.5472 176.6794 153 F 5.3960 8.5997 117.7093 55.8773 42.2381 174.8053 154 T 4.9983 9.3663 119.0610 61.6768 71.8955 172.9396 155 L 4.9896 9.1848 126.6157 53.2885 44.1771 175.0565 156 Y 4.9556 8.7091 123.0333 57.0132 38.8905 175.5642 157 V 4.4004 9.1033 127.8416 62.5647 32.5551 176.0009 158 K 5.1813 8.8842 130.6604 53.4131 34.8856 172.9046 159 S 4.7071 8.9982 115.3079 58.8399 64.4507 174.2871 160 D 5.0786 8.8987 119.1516 53.2864 40.4344 174.9611 161 Q 4.6991 7.9047 117.6927 53.6304 31.9932 174.9000 162 E 4.0917 8.3867 117.8865 57.5905 29.9204 176.7018 163 C 4.0660 8.9611 115.0505 61.3893 25.6779 173.3337 164 S 3.7467 7.9532 109.9748 58.4197 60.3665 172.7233 165 Q 4.2466 7.4393 117.6283 54.7818 30.3783 174.3089 166 Y 5.3710 8.0471 116.6774 56.3303 40.2762 177.0283 167 S 4.5358 8.9488 119.5377 57.8779 65.5446 175.4396 168 A 4.1210 8.6044 124.5336 55.1310 18.1307 180.0389 169 L 3.5883 7.9252 118.7158 57.9491 42.3088 178.3922 170 L 3.8714 7.8618 120.3254 58.4863 41.9896 179.0088 171 L 4.0353 7.9373 118.6203 57.8909 41.4010 179.1474 172 H 4.1385 8.3255 118.1343 59.2031 29.8875 177.0988 173 K 3.5629 8.2788 120.6022 59.6722 31.8205 179.0297 174 I 3.6198 8.1401 119.7855 64.5284 37.1428 178.2647 175 R 3.8678 7.9754 118.8282 59.8826 30.0098 179.0408 176 Q 4.0152 8.3531 117.5911 58.8104 28.5917 178.8089 177 F 3.7588 8.2950 121.7266 61.1394 39.3300 177.1087 178 I 3.1233 7.6634 119.6323 64.6246 36.7498 178.1836 179 M 3.8690 7.6498 119.0875 58.4646 31.6731 178.5004 180 C 3.9481 7.8039 118.6071 62.2552 31.7590 175.3605 181 L 3.4697 7.3633 120.7451 57.7592 41.0922 179.0360 182 E 3.8416 7.9276 118.5471 59.7978 29.6033 179.6326 183 S 4.0337 8.0795 112.7314 61.5384 62.3503 175.9972 184 N 4.2627 8.1582 119.3118 56.0946 38.2017 177.5401 185 L 3.6035 7.5226 120.4480 57.4294 41.5743 179.2242 186 L 4.2490 7.8059 121.7454 57.8027 41.8870 179.0677 187 R 4.1357 7.6797 115.7139 58.2378 30.2282 178.1111 188 S 4.3256 7.6538 112.9536 57.6662 63.5820 173.7670 189 K 3.9628 7.8288 120.3080 57.3901 29.9156 175.6267 190 I 4.3234 7.6238 118.4342 60.9616 38.2024 176.9137 191 A 4.4198 9.0400 129.4684 50.9287 19.3060 175.4000 192 P 4.6957 0.0000 0.0000 63.2171 32.3507 176.8620 193 G 4.1510 8.0526 108.9353 44.3595 0.0000 171.8273 194 E 4.1218 8.1084 121.8362 54.6042 29.9926 176.4496 195 Y 4.6017 7.2240 124.2044 57.2691 38.8677 174.2284 196 P 4.4578 0.0000 0.0000 62.0767 32.2616 177.4803 197 A 4.0343 8.7967 125.4515 55.3394 18.4602 179.0142 198 S 4.2031 8.1942 109.2494 61.5042 62.9351 174.6184 199 D 4.9082 7.9593 119.6030 53.8216 41.9130 176.4042 200 V 4.6220 8.2210 113.4988 60.0126 35.1167 175.0174 201 R 4.8035 7.9627 116.7468 54.7222 32.1144 172.9713 202 P 4.4040 0.0000 0.0000 61.8068 32.4100 176.8261 203 E 3.9407 8.4454 119.3302 58.7990 29.5838 176.9220 204 D 4.6796 7.9712 115.8569 53.2316 39.9469 175.6283 205 W 5.0852 7.9076 120.8405 55.7573 29.9331 176.1437 206 K 4.4096 9.8286 123.2117 56.8799 32.9130 176.8025 207 Y 4.7603 8.4204 114.7787 58.9989 41.1045 176.1515 208 V 4.5041 8.8281 118.5337 62.4149 32.6754 175.6074 209 S 5.4051 9.4721 120.2874 57.2936 67.2179 171.8078 210 Y 5.3467 9.5910 122.1062 55.9698 41.7280 174.3259 211 R 4.2971 8.1227 125.3323 54.2682 34.3621 173.0119 212 N 4.9836 7.9224 123.9715 51.9587 40.1734 174.5898 213 E 4.0476 8.7158 126.9466 59.8664 29.5238 178.9146 214 L 4.1780 7.9614 117.8227 57.8036 42.7464 178.2569 215 R 4.4418 7.2832 126.4421 56.9563 28.8659 178.4024 *226 Q 4.3477 8.9051 123.5975 56.7257 29.9060 174.8070 227 M 4.6729 7.7144 114.1021 53.8146 31.8843 179.0130 228 L 4.2829 7.8006 123.0188 58.4765 42.5792 178.9408 229 R 4.1200 7.8905 116.2419 58.4291 30.1268 177.2719 230 E 4.1741 7.6107 115.3330 57.8266 30.1097 177.1462 231 E 3.9810 8.0528 117.9769 57.3341 30.4371 175.7049 232 P 4.2536 0.0000 0.0000 65.7181 31.3982 177.6324 233 F 4.0217 8.5028 119.5273 61.9934 39.5680 176.7426 234 Y 3.8580 8.0235 118.1727 60.5637 38.6831 177.5986 235 R 3.7617 8.2153 119.0448 59.3733 30.0395 179.0397 236 L 4.1362 7.9021 116.9750 57.4735 41.5585 178.9598 237 M 4.1752 7.6521 118.6750 57.0087 32.0779 177.5204 238 I 4.1713 7.1768 111.0294 61.7372 39.3202 175.2915 239 E 4.1596 7.9663 123.7871 56.4527 29.3923 176.2418 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 27 S 8.19 4.37 0.00 3.87 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 28 A 8.41 3.84 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.86 4.28 0.00 2.76 2.81 0.00 0.00 7.14 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 30 E 8.31 3.96 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 31 R 7.76 3.87 0.00 2.07 2.07 0.00 3.16 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 32 L 7.89 4.06 0.00 1.83 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.44 3.95 0.00 1.82 1.86 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.59 7.81 34 N 8.10 4.36 0.00 3.04 2.85 0.00 0.00 7.31 6.63 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 35 N 8.40 4.40 0.00 2.87 2.92 0.00 0.00 6.68 7.71 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 36 F 8.68 4.12 0.00 3.28 3.29 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 37 N 8.48 4.46 0.00 3.00 2.92 0.00 0.00 7.04 6.75 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 38 I 8.08 3.70 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.08 0.92 0.00 0.00 39 L 7.72 3.95 0.00 1.74 1.62 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.98 3.80 0.00 2.63 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 41 N 8.14 4.35 0.00 2.85 2.82 0.00 0.00 7.16 7.31 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 42 Q 7.73 4.00 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 43 I 7.40 3.74 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.24 0.85 0.00 0.00 44 R 7.08 4.07 0.00 1.60 1.81 0.00 2.27 0.00 0.00 2.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.32 0.00 45 Q 7.32 3.96 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 46 Y 6.52 4.46 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.48 0.00 2.22 2.10 0.00 3.98 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 48 A 8.44 4.01 1.09 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 0.00 0.00 49 Y 8.46 4.10 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.07 4.59 0.00 2.76 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 51 F 8.79 4.81 0.00 3.22 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 52 K 9.55 4.12 0.00 1.72 2.01 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.43 7.81 53 V 8.39 4.02 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 0.85 0.00 0.00 0.98 0.00 0.00 54 A 8.98 4.23 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.64 4.46 0.00 3.97 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 56 N 7.89 4.65 0.00 2.76 2.85 0.00 0.00 6.68 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 57 V 7.45 4.06 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 0.79 0.00 0.00 0.84 0.00 0.00 58 P 0.00 4.12 0.00 1.90 0.69 0.00 2.75 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.07 0.00 59 T 8.54 4.50 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 1.29 0.00 0.00 60 Y 8.80 3.73 0.00 3.17 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 61 S 8.06 4.00 0.00 4.03 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.85 0.00 0.00 142 S 8.12 4.44 0.00 3.89 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 0.00 143 Q 8.68 3.96 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.33 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 144 Q 7.84 4.43 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 145 S 7.72 4.27 0.00 3.84 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 0.00 146 R 8.78 4.30 0.00 1.95 1.85 0.00 3.30 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.00 147 V 7.83 4.59 2.30 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 0.93 0.00 0.00 1.28 0.00 0.00 148 G 7.74 3.95 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 0.00 149 I 8.48 4.04 1.93 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 1.43 1.31 0.96 0.00 0.00 150 G 8.54 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 0.00 151 A 8.90 3.99 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 0.00 152 Q 8.18 4.59 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 153 F 8.60 5.40 0.00 2.83 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 0.00 154 T 9.37 5.00 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 0.49 0.00 0.00 155 L 9.18 4.99 0.00 1.77 1.78 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 8.71 4.96 0.00 3.05 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 0.00 157 V 9.10 4.40 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 0.77 0.00 0.00 1.28 0.00 0.00 158 K 8.88 5.18 0.00 1.55 1.54 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 0.97 7.81 159 S 9.00 4.71 0.00 3.82 3.71 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 0.00 160 D 8.90 5.08 0.00 2.71 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 0.00 161 Q 7.90 4.70 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 162 E 8.39 4.09 0.00 1.99 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 2.40 2.28 0.00 163 C 8.96 4.07 0.00 3.08 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 0.00 164 S 7.95 3.75 0.00 3.86 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 0.00 165 Q 7.44 4.25 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 166 Y 8.05 5.37 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 8.95 4.54 0.00 4.15 4.10 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 0.00 168 A 8.60 4.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.59 0.00 1.68 1.59 0.84 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.86 3.87 0.00 1.95 1.85 1.24 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 171 L 7.94 4.04 0.00 1.76 1.61 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 172 H 8.33 4.14 0.00 3.47 3.36 0.00 5.81 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 0.00 173 K 8.28 3.56 0.00 1.88 1.72 0.00 1.34 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.45 0.80 7.81 174 I 8.14 3.62 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 1.04 0.00 0.00 175 R 7.98 3.87 0.00 2.09 1.98 0.00 3.08 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 176 Q 8.35 4.02 0.00 2.37 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 177 F 8.29 3.76 0.00 2.84 2.90 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 0.00 178 I 7.66 3.12 1.57 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.18 -0.24 0.00 0.00 179 M 7.65 3.87 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 180 C 7.80 3.95 0.00 3.10 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 0.00 181 L 7.36 3.47 0.00 1.36 1.20 0.37 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 182 E 7.93 3.84 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 183 S 8.08 4.03 0.00 3.86 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 0.00 184 N 8.16 4.26 0.00 2.69 2.64 0.00 0.00 7.06 6.98 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 0.00 185 L 7.52 3.60 0.00 1.20 0.21 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 186 L 7.81 4.25 0.00 2.06 1.79 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 187 R 7.68 4.14 0.00 1.90 1.95 0.00 3.20 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 188 S 7.65 4.33 0.00 3.91 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 0.00 189 K 7.83 3.96 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 190 I 7.62 4.32 1.80 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 1.06 0.56 0.92 0.00 0.00 191 A 9.04 4.42 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 0.00 192 P 0.00 4.70 0.00 1.89 1.78 0.00 3.75 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 1.90 1.81 0.00 193 G 8.05 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 0.00 194 E 8.11 4.12 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 195 Y 7.22 4.60 0.00 3.11 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 0.00 196 P 0.00 4.46 0.00 2.19 1.96 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 197 A 8.80 4.03 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 0.00 198 S 8.19 4.20 0.00 3.98 4.04 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 0.00 199 D 7.96 4.91 0.00 2.80 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 0.00 200 V 8.22 4.62 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 0.60 0.00 0.00 0.26 0.00 0.00 201 R 7.96 4.80 0.00 1.82 2.07 0.00 2.83 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.39 0.00 202 P 0.00 4.40 0.00 1.92 1.83 0.00 2.20 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.71 0.00 203 E 8.45 3.94 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 204 D 7.97 4.68 0.00 2.90 2.79 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 0.00 205 W 7.91 5.09 0.00 3.41 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 K 9.83 4.41 0.00 1.38 1.33 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.39 7.81 207 Y 8.42 4.76 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 V 8.83 4.50 1.51 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 0.31 0.00 0.00 0.66 0.00 0.00 209 S 9.47 5.41 0.00 4.06 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 0.00 210 Y 9.59 5.35 0.00 3.43 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 0.00 211 R 8.12 4.30 0.00 1.97 1.50 0.00 3.28 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 212 N 7.92 4.98 0.00 2.80 2.61 0.00 0.00 7.17 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 0.00 213 E 8.72 4.05 0.00 2.00 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 0.00 2.48 2.72 0.00 214 L 7.96 4.18 0.00 1.71 1.73 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 215 R 7.28 4.44 0.00 1.83 1.55 0.00 3.25 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.62 0.00 *226 Q 8.91 4.35 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.16 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 227 M 7.71 4.67 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.05 0.00 228 L 7.80 4.28 0.00 1.68 1.62 0.94 0.86 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 0.00 229 R 7.89 4.12 0.00 1.87 2.10 0.00 3.28 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 230 E 7.61 4.17 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 231 E 8.05 3.98 0.00 2.35 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 0.00 2.55 2.81 0.00 232 P 0.00 4.25 0.00 2.40 2.35 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 233 F 8.50 4.02 0.00 3.20 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 0.00 234 Y 8.02 3.86 0.00 2.62 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 0.00 235 R 8.22 3.76 0.00 2.35 2.30 0.00 3.34 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 236 L 7.90 4.14 0.00 1.57 1.58 0.89 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 237 M 7.65 4.18 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.21 0.00 238 I 7.18 4.17 1.47 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 0.89 0.27 -0.06 0.00 0.00 239 E 7.97 4.16 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.