NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 Y 4.5933 8.1449 119.1662 56.6874 39.4677 175.3039 2 T 3.9831 7.8914 115.5243 61.2584 68.8804 171.9015 3 P 5.4577 0.0000 0.0000 62.3294 33.4857 175.1436 4 W 4.9296 8.8407 119.4336 54.8338 33.1109 174.1257 5 L 5.1590 9.0880 124.9252 53.5066 44.0217 174.9665 6 I 4.9542 9.1222 127.4498 59.5186 39.7476 174.3939 7 A 5.1825 9.1627 129.3258 49.9395 21.9023 174.8479 8 G 4.4048 8.6043 109.1287 44.3212 0.0000 173.2069 9 L 4.0645 9.0098 125.2828 53.3402 42.4347 178.4680 10 G 3.1157 6.7703 107.4619 45.9856 0.0000 171.2006 11 N 4.6983 7.4821 120.7897 51.5294 41.9165 173.6889 12 P 4.7770 0.0000 0.0000 63.8042 32.2000 176.8753 13 G 4.0266 8.9690 112.6434 46.5131 0.0000 175.0867 *14 N 4.3535 8.9985 119.5755 54.8850 37.7486 176.5183 15 K 4.1236 7.7985 115.1347 58.9236 33.2794 177.4201 16 Y 4.2000 8.0132 117.8223 59.4463 38.3228 174.9628 17 Y 4.2448 7.5773 121.7771 59.0210 38.7725 176.4113 18 G 3.4934 7.9602 113.9532 45.7697 0.0000 173.2514 19 T 4.2994 7.4300 110.3497 60.0286 70.0295 176.1914 20 R 3.3271 7.8680 121.3762 59.7567 29.9419 178.4039 21 H 5.0392 7.8263 112.9421 56.1458 29.7241 175.1884 22 N 4.7984 8.1443 115.2578 53.5017 39.2675 176.1327 23 V 3.8930 7.7799 120.1416 65.4081 31.3026 178.4717 24 G 3.6820 8.2032 105.9767 47.4769 0.0000 175.6676 25 F 4.3011 8.4340 120.3130 60.6009 38.8406 177.4502 26 E 4.0359 8.2690 117.7983 59.6180 29.3155 178.9362 27 M 3.9718 8.1341 118.1153 58.9103 32.2756 178.8106 28 V 3.8246 7.9238 112.3645 64.2228 31.6464 178.3018 29 D 4.3165 8.3220 119.1140 57.3724 40.6286 179.0542 30 R 3.9583 8.1864 118.8117 59.1150 30.0953 179.0540 31 I 3.6020 8.2259 119.7827 64.3625 37.1237 178.3569 32 A 3.9329 8.2767 121.6055 55.0112 18.0780 179.3896 33 A 3.9016 8.4140 119.6745 55.5579 18.2734 179.6488 34 E 4.0364 8.5696 115.5275 58.2463 29.7095 178.1324 35 E 4.4962 8.0094 116.5646 54.8895 30.3275 175.6343 36 G 3.7998 7.7942 106.9984 46.9581 0.0000 174.0129 37 I 4.3757 8.1042 119.9930 59.2817 38.9461 175.8971 38 T 4.3254 8.3318 122.0503 63.0387 69.3479 174.1870 39 M 4.8792 8.3816 127.1112 53.3259 31.4078 174.8221 40 N 4.9949 8.1908 116.5656 52.2871 38.6545 174.8695 41 T 4.5740 7.8040 115.5119 62.3198 70.5389 173.2751 42 E 5.0122 8.6008 124.9794 54.5530 31.9331 175.6948 43 Q 4.4007 8.5264 123.8336 54.8897 30.8221 176.3275 44 S 3.8485 8.1078 125.0491 59.9498 60.9854 173.5594 45 K 4.4568 10.6616 129.7092 57.1421 32.4193 176.4790 46 S 4.8891 8.2805 116.9235 57.9555 64.0849 172.8947 47 L 5.1215 8.3465 124.8341 53.5426 44.9703 174.8916 48 L 5.2564 9.0142 124.1392 53.6687 47.0684 174.9885 49 G 4.3421 8.3035 104.1155 46.5226 0.0000 172.6511 50 I 5.0069 8.0297 121.7596 58.9304 40.2941 175.4638 51 G 4.0630 8.8408 114.7565 46.2219 0.0000 173.1678 52 S 4.8978 8.5985 119.5454 57.7298 65.4952 174.3912 53 I 4.3065 8.8702 122.2808 60.0973 39.2438 175.8870 54 G 3.8533 8.2877 116.7598 47.2144 0.0000 174.1869 55 E 4.2511 8.7952 123.3709 56.4751 30.0419 176.2215 56 V 3.9749 7.9975 121.6333 61.4305 32.4951 173.1196 57 P 5.0182 0.0000 0.0000 62.8814 32.9783 175.5139 58 V 5.0870 8.7437 114.8514 59.7808 36.6452 173.5991 59 L 4.9883 9.0852 126.8375 53.3670 44.5326 175.2445 60 V 4.9105 8.8456 119.7985 59.6865 34.5186 175.0326 61 V 4.7919 8.8199 123.7740 61.3089 35.6771 174.2580 62 K 4.9249 8.6038 126.5905 53.2876 31.4806 173.1018 63 P 4.7263 0.0000 0.0000 62.4270 32.2092 177.3076 64 Q 4.2140 8.9623 120.9513 57.7631 27.9198 175.9059 65 S 4.7752 7.4236 114.0463 56.4036 64.5594 174.0715 66 Y 4.1146 8.5393 127.5377 60.3221 39.1655 176.4870 67 M 4.2620 7.7753 117.6682 57.9841 33.0666 177.1403 68 N 4.9083 9.5298 116.9609 52.5532 39.6794 175.5479 69 Y 4.2324 7.9072 118.9076 60.9590 38.1368 176.8097 70 S 4.2251 7.2303 116.4823 61.0540 62.5969 176.3173 71 G 3.7941 7.9541 111.9160 48.7994 0.0000 175.3881 *72 E 4.1379 7.9120 118.7180 60.3717 29.6682 178.9583 73 A 4.7964 7.7043 118.3945 53.4601 20.9360 178.4485 74 I 3.7920 7.7485 117.1433 64.3697 37.3342 179.0164 75 G 3.6241 8.6673 106.8546 47.4805 0.0000 173.8811 76 P 4.3231 0.0000 0.0000 65.1219 31.3361 178.7626 77 L 4.0834 7.7582 116.9988 57.8314 41.4710 179.4863 78 A 4.1077 8.5292 120.8413 54.8545 18.2467 179.5668 79 A 4.1130 8.2201 119.4699 55.4769 18.3378 178.8284 80 Y 3.7890 7.8762 116.7043 61.1205 38.9306 177.6475 81 Y 4.4635 8.2018 113.5736 57.1553 39.1453 175.0855 82 Q 3.4346 7.7529 117.9798 56.7928 26.5210 174.2349 83 V 4.1250 8.5439 118.2700 60.4313 32.9806 173.7398 84 P 4.4230 0.0000 0.0000 62.5341 32.0065 177.1823 85 L 4.3727 8.6083 119.9873 58.0903 41.6844 179.4022 86 R 4.2850 7.9213 112.5684 58.0344 29.7394 176.2292 87 H 2.9759 8.4618 117.0515 55.0837 30.3406 173.3041 88 I 4.8094 7.6679 120.3686 59.7163 38.1796 174.8127 89 L 4.8642 9.1603 130.8903 53.9957 43.4553 175.3875 90 L 5.0812 8.7213 126.5786 53.7521 44.1041 175.7268 91 I 4.9422 8.3752 122.6804 59.7997 41.0000 174.0776 92 Y 5.0947 7.5178 122.4390 55.7633 42.0018 173.2809 93 D 5.0329 8.9447 120.4649 53.8193 41.1516 174.6296 94 D 5.0461 9.3154 121.5876 52.7967 43.7028 176.0600 95 T 4.6435 9.2407 115.5229 62.3962 69.2906 175.0941 96 S 4.5914 9.0728 117.0062 58.4112 63.7393 173.7333 97 L 4.8947 7.4130 120.6002 52.2431 45.1000 174.2854 98 P 4.7147 0.0000 0.0000 61.8612 32.0539 175.5643 99 N 4.4250 8.6203 118.3651 55.7308 38.9526 175.4273 100 G 3.8693 9.0791 113.7278 45.3124 0.0000 173.5384 101 V 3.8498 7.8627 121.5507 62.6148 32.4691 175.0007 102 L 4.9033 8.4151 127.8039 53.9369 43.3262 176.2249 103 R 4.4983 8.8373 122.4904 54.7875 33.6125 173.1520 104 L 5.0900 8.6793 128.6035 53.5989 43.7506 175.2556 105 Q 4.8720 9.2521 125.3186 54.0597 32.7162 175.7935 106 K 4.2718 8.3445 122.0311 54.9625 33.7734 176.3584 107 K 3.9430 8.3630 122.5138 58.4069 32.6032 175.1933 108 G 3.5535 9.2613 118.0472 45.7702 0.0000 172.7727 *115 G 3.7183 7.9719 113.3018 44.4647 0.0000 171.5038 116 L 4.0385 8.5169 123.6339 58.0021 42.1243 178.9319 117 Q 3.9572 8.1895 118.9908 59.5751 28.8271 178.2171 118 N 4.3370 8.1731 117.1121 56.5410 38.9746 176.5501 119 V 3.5459 7.8700 119.1151 66.2550 31.6537 177.5943 120 I 3.7014 8.0551 119.6720 64.7945 36.8827 178.2726 121 E 4.0259 8.6881 119.4796 59.6375 29.0090 178.9640 122 H 4.1928 8.0397 117.6681 58.9011 29.9953 176.8658 123 L 4.1758 8.0542 120.7499 57.5032 41.6574 178.4142 124 D 4.7614 8.0077 115.2337 52.4462 40.1901 176.8234 125 G 3.9423 7.8666 108.9131 46.5412 0.0000 176.1690 126 R 4.3644 8.2655 118.4396 58.6040 29.6892 178.3361 127 R 4.3616 8.0515 116.2180 57.2727 30.0002 177.1276 128 E 4.1743 7.7748 116.8424 56.5533 29.8949 175.7097 129 F 5.3295 7.9001 117.4057 54.4289 42.7317 173.4445 130 P 4.9309 0.0000 0.0000 63.5653 32.7203 175.4434 131 R 5.1827 9.1949 119.7082 54.8319 35.4663 173.7950 132 L 4.8943 8.9330 125.9170 53.4674 44.0552 175.3195 133 S 4.4328 8.9070 123.7897 57.7383 64.8141 173.7799 134 I 4.6243 8.4077 124.7586 59.0920 39.4336 175.3927 135 G 4.1892 9.2181 116.1047 46.7223 0.0000 172.7134 136 I 4.7080 8.5223 114.0583 59.4318 39.4360 176.6315 137 G 3.9470 8.5797 113.4048 44.8935 0.0000 172.4736 138 S 4.6469 8.0766 112.0480 54.8390 65.7341 171.9158 139 P 2.9700 0.0000 0.0000 61.8820 31.4258 174.5300 140 P 4.3748 0.0000 0.0000 63.2775 33.5979 177.2312 141 G 3.8085 8.7251 110.9253 46.6081 0.0000 174.7952 142 K 4.5610 8.6393 118.6867 55.1864 32.3300 174.9749 143 M 4.1253 7.9657 118.9949 54.9028 33.4084 175.3147 144 D 4.3381 8.7375 123.8211 54.2210 42.1948 175.2354 145 P 4.2842 0.0000 0.0000 66.2705 30.7409 178.1634 146 R 3.8620 8.1772 116.7635 59.2320 30.1954 177.9393 147 A 4.1119 7.8293 120.0374 54.9502 18.6803 178.9884 148 F 4.2126 8.8830 119.6157 61.7403 39.4256 177.4935 149 L 3.7458 7.9744 118.0642 57.0968 41.1591 178.6388 150 L 4.2861 7.1964 116.8766 54.7611 42.3930 177.0790 151 Q 4.1202 6.8998 118.5800 55.7716 29.9535 175.4809 152 K 4.5675 8.1069 120.2620 54.7884 33.8091 176.7625 153 F 4.4700 7.0692 119.1285 57.8911 39.7372 175.7503 154 S 4.4712 9.3640 117.2578 57.6647 64.0934 175.3485 155 S 4.1203 8.9086 116.5771 62.1213 62.5447 176.8879 156 E 3.9616 8.1393 121.0385 59.2858 29.5010 178.4406 157 E 4.0778 8.1669 118.3134 59.3882 29.5335 179.1684 158 R 3.7443 8.7004 119.1062 59.3973 30.0285 178.7428 159 V 3.5629 7.5658 118.1168 66.1066 31.4946 178.1104 160 Q 3.9747 7.6556 116.5220 58.9255 28.4070 178.7897 161 I 3.5415 7.5045 120.9596 64.0327 37.0369 178.1293 162 D 4.2740 8.4337 120.1674 57.6101 40.5707 178.8038 163 T 3.9629 7.8110 115.9438 66.8073 68.4207 176.5016 164 A 3.9076 7.9871 122.5079 55.0281 18.4258 179.7442 165 L 3.9049 8.2043 118.0112 57.6999 41.5984 179.4518 166 E 3.9067 8.6616 118.8921 59.6310 29.4177 179.3313 167 Q 4.0246 8.4072 119.8636 58.7710 28.9623 178.3623 168 G 3.4044 8.3045 107.4522 47.6068 0.0000 175.4934 169 V 3.4888 7.4357 120.7010 65.9034 31.3703 177.6017 170 D 4.2790 7.6363 116.6553 57.1690 40.9795 177.9598 171 A 3.5155 7.8939 121.4148 55.1087 18.2471 179.8203 172 V 3.2157 7.7019 116.8406 65.8631 31.4817 178.1471 173 R 3.7194 8.0598 118.6810 59.6213 29.8066 178.6441 174 T 3.8030 8.1686 115.8300 66.4725 68.5001 176.3459 175 L 4.0069 7.8138 123.7555 57.5852 41.8385 179.1184 176 V 2.7681 7.1847 116.9368 65.6403 31.3893 177.4508 177 L 4.3332 7.6821 117.4945 56.1771 42.1417 177.7163 178 K 4.4566 8.5705 116.3290 54.9788 34.0487 177.8285 179 G 4.4028 8.2716 110.5540 45.0565 0.0000 174.4347 180 F 3.7715 8.8726 116.1065 60.4345 38.7099 177.8405 181 S 4.3381 8.2893 113.7671 61.4775 62.9810 176.6914 182 G 3.5749 8.0856 109.1796 47.3652 0.0000 175.8404 183 S 4.3271 8.3038 117.6645 61.7757 62.8490 176.5278 184 T 4.0056 8.2943 118.8331 67.0609 68.0691 175.9362 185 E 4.0742 8.1426 119.3404 59.3239 29.6940 178.4476 186 R 3.8482 7.8441 117.5532 58.3463 30.3211 177.4435 187 F 4.7704 8.5841 114.8693 56.3527 40.1374 175.3104 188 N 4.8375 7.8247 117.2523 51.5330 39.4844 174.9087 189 L 3.9910 8.7631 125.6734 57.4669 42.4646 177.0135 190 V 4.2221 7.5905 118.0929 61.4482 32.2699 175.3192 191 Q 4.1245 8.4069 125.2678 56.3560 29.7013 174.5873 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 Y 8.14 4.59 0.00 2.35 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 0.00 0.00 0.00 2 T 7.89 3.98 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 1.07 0.00 0.00 3 P 0.00 5.46 0.00 2.10 2.12 0.00 3.32 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 4 W 8.84 4.93 0.00 3.23 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 5 L 9.09 5.16 0.00 1.72 1.54 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 6 I 9.12 4.95 1.85 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 1.16 0.76 0.86 0.00 0.00 7 A 9.16 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.60 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 0.00 0.00 0.00 0.00 9 L 9.01 4.06 0.00 1.06 0.16 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 G 6.77 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 0.00 0.00 0.00 11 N 7.48 4.70 0.00 2.01 1.58 0.00 0.00 7.12 7.28 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 12 P 0.00 4.78 0.00 2.36 2.38 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 13 G 8.97 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 *14 N 9.00 4.35 0.00 2.66 2.85 0.00 0.00 6.60 6.87 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 15 K 7.80 4.12 0.00 1.58 1.76 0.00 1.29 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.49 0.35 7.81 16 Y 8.01 4.20 0.00 3.38 3.05 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 17 Y 7.58 4.24 0.00 3.02 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 18 G 7.96 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 19 T 7.43 4.30 4.29 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 1.29 0.00 0.00 20 R 7.87 3.33 0.00 1.60 1.75 0.00 2.21 0.00 0.00 2.61 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.06 0.00 21 H 7.83 5.04 0.00 3.04 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.14 4.80 0.00 2.91 2.69 0.00 0.00 6.93 7.33 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 23 V 7.78 3.89 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 0.87 0.00 0.00 0.94 0.00 0.00 24 G 8.20 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 25 F 8.43 4.30 0.00 3.28 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 26 E 8.27 4.04 0.00 2.25 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 2.39 2.38 0.00 27 M 8.13 3.97 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 28 V 7.92 3.82 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 0.80 0.00 0.00 0.89 0.00 0.00 29 D 8.32 4.32 0.00 2.88 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 30 R 8.19 3.96 0.00 1.94 2.13 0.00 3.11 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 31 I 8.23 3.60 1.94 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 1.37 0.93 0.83 0.00 0.00 32 A 8.28 3.93 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 33 A 8.41 3.90 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 34 E 8.57 4.04 0.00 1.96 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 0.00 2.32 2.38 0.00 35 E 8.01 4.50 0.00 2.01 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 2.33 2.38 0.00 36 G 7.79 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 37 I 8.10 4.38 1.83 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 1.26 0.82 0.84 0.00 0.00 38 T 8.33 4.33 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 1.19 0.00 0.00 39 M 8.38 4.88 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 40 N 8.19 4.99 0.00 2.74 2.82 0.00 0.00 6.21 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 41 T 7.80 4.57 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 1.20 0.00 0.00 42 E 8.60 5.01 0.00 1.92 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 0.00 2.20 2.24 0.00 43 Q 8.53 4.40 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 5.70 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 44 S 8.11 3.85 0.00 4.09 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 45 K 10.66 4.46 0.00 2.25 1.89 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.25 7.81 46 S 8.28 4.89 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.35 5.12 0.00 1.58 1.34 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.01 5.26 0.00 1.50 1.47 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.30 4.34 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 0.00 50 I 8.03 5.01 1.82 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.89 1.74 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.01 4.76 0.00 2.82 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 0.00 125 G 7.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.27 4.36 0.00 2.29 2.60 0.00 2.37 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 127 R 8.05 4.36 0.00 1.92 2.02 0.00 3.18 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 128 E 7.77 4.17 0.00 1.57 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 2.15 2.23 0.00 129 F 7.90 5.33 0.00 3.15 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 0.00 130 P 0.00 4.93 0.00 2.60 2.67 0.00 4.21 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 131 R 9.19 5.18 0.00 1.90 1.91 0.00 3.33 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 132 L 8.93 4.89 0.00 1.59 1.38 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.91 4.43 0.00 3.97 3.72 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 0.00 134 I 8.41 4.62 1.87 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 1.07 0.70 0.86 0.00 0.00 135 G 9.22 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 0.00 136 I 8.52 4.71 2.06 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 1.32 0.99 1.25 0.00 0.00 137 G 8.58 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 0.00 138 S 8.08 4.65 0.00 3.76 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 0.00 139 P 0.00 2.97 0.00 1.87 1.44 0.00 3.44 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 140 P 0.00 4.37 0.00 2.11 1.98 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 141 G 8.73 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 0.00 142 K 8.64 4.56 0.00 1.63 1.66 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.30 7.81 143 M 7.97 4.13 0.00 2.06 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 2.65 2.53 0.00 144 D 8.74 4.34 0.00 2.83 2.59 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 0.00 145 P 0.00 4.28 0.00 2.31 2.31 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 146 R 8.18 3.86 0.00 1.84 2.16 0.00 3.25 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 147 A 7.83 4.11 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 0.00 148 F 8.88 4.21 0.00 3.07 3.24 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 0.00 149 L 7.97 3.75 0.00 1.71 1.58 0.72 0.55 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 0.00 150 L 7.20 4.29 0.00 1.58 1.61 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 6.90 4.12 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 152 K 8.11 4.57 0.00 1.55 1.65 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.25 1.38 7.81 153 F 7.07 4.47 0.00 3.03 3.05 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 0.00 154 S 9.36 4.47 0.00 4.04 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 0.00 155 S 8.91 4.12 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 0.00 156 E 8.14 3.96 0.00 2.14 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 2.37 1.97 0.00 157 E 8.17 4.08 0.00 2.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 158 R 8.70 3.74 0.00 2.04 2.10 0.00 3.18 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 159 V 7.57 3.56 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 0.96 0.00 0.00 0.95 0.00 0.00 160 Q 7.66 3.97 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 161 I 7.50 3.54 1.34 0.00 0.00 0.44 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 -0.36 0.51 0.00 0.00 162 D 8.43 4.27 0.00 2.85 2.83 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 0.00 163 T 7.81 3.96 4.39 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 1.18 0.00 0.00 164 A 7.99 3.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.20 3.90 0.00 1.75 1.68 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.66 3.91 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 167 Q 8.41 4.02 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 168 G 8.30 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 0.00 169 V 7.44 3.49 2.17 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 1.05 0.00 0.00 0.90 0.00 0.00 170 D 7.64 4.28 0.00 2.92 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 0.00 171 A 7.89 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.70 3.22 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 0.83 0.00 0.00 0.79 0.00 0.00 173 R 8.06 3.72 0.00 2.03 2.06 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 174 T 8.17 3.80 4.53 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 1.25 0.00 0.00 175 L 7.81 4.01 0.00 1.29 1.40 0.26 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.18 2.77 1.74 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 0.74 0.00 0.00 0.03 0.00 0.00 177 L 7.68 4.33 0.00 1.61 1.68 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.57 4.46 0.00 1.65 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.32 7.81 179 G 8.27 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 0.00 0.00 0.00 0.00 180 F 8.87 3.77 0.00 3.23 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 0.00 181 S 8.29 4.34 0.00 4.11 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 0.00 182 G 8.09 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 8.30 4.33 0.00 3.95 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 0.00 184 T 8.29 4.01 4.54 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 0.00 0.00 0.00 1.27 0.00 0.00 185 E 8.14 4.07 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 186 R 7.84 3.85 0.00 1.58 1.52 0.00 2.96 0.00 0.00 2.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 187 F 8.58 4.77 0.00 3.14 3.05 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 0.00 188 N 7.82 4.84 0.00 2.89 2.93 0.00 0.00 6.89 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.76 3.99 0.00 1.60 1.72 0.93 0.97 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 0.00 190 V 7.59 4.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 191 Q 8.41 4.12 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.