NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8776 8.3093 115.8718 57.2574 40.2166 176.2039 11 H 3.9940 6.4365 117.0273 56.8899 28.8404 173.6316 12 E 3.7941 8.2085 120.9978 58.7862 30.2042 178.2107 13 M 4.6218 7.7009 115.7125 55.2526 32.3585 176.8433 14 R 4.5628 7.9504 117.6404 55.6218 32.9671 175.7509 15 E 4.0348 8.1216 116.4396 55.1882 30.0161 174.8483 16 P 4.4300 0.0000 0.0000 63.2451 32.5161 174.9520 17 R 4.3204 8.0430 116.1284 55.5411 33.4662 173.6641 18 I 4.4203 8.1776 120.4619 60.2308 37.6111 175.6296 19 E 4.2967 9.0891 129.8120 58.6073 30.1326 176.7502 20 K 5.3848 7.6198 115.9792 56.4491 36.1775 174.7914 21 V 4.5911 8.2745 121.4941 61.3730 34.3079 174.6463 22 V 4.4354 8.4776 130.2500 61.6902 32.3889 174.6860 23 V 4.6020 8.0856 122.6843 60.3561 33.0539 175.0596 24 H 5.1768 9.0658 124.3799 55.0150 33.6534 172.1693 25 M 4.4695 8.6694 123.5818 53.4299 34.3710 174.8571 26 G 3.6147 8.2044 112.0890 46.7905 0.0000 172.0947 27 I 3.6966 8.4573 129.4998 61.2278 36.3702 177.1639 28 G 4.7196 5.3800 127.0700 46.8812 0.0000 172.6534 29 H 4.4546 7.2169 113.0433 56.1070 33.3163 174.1117 *35 A 4.3594 7.9687 123.5587 51.9730 18.9262 178.9479 36 N 4.4529 9.4504 121.4283 55.2814 37.9592 176.3035 37 A 4.1978 7.8506 121.5453 53.8386 19.3259 178.9657 38 E 4.0387 8.2241 116.4846 59.5279 29.3520 178.8165 39 D 4.3949 8.1895 118.5361 57.6264 40.9193 179.0677 40 I 3.7754 7.4164 111.8551 64.0033 37.5625 178.2515 41 L 4.1081 7.9587 120.4733 57.4202 41.4965 179.5022 42 G 3.6330 8.1025 105.7872 47.2367 0.0000 175.6284 43 E 4.0889 7.8500 119.7119 58.9023 29.6481 178.7603 44 I 4.0070 7.9373 118.1062 63.1675 38.1127 177.3312 45 T 4.4107 7.6421 109.8898 64.7122 69.6429 175.7076 46 G 4.0658 7.7631 106.7045 44.8063 0.0000 172.8475 47 Q 4.5762 8.0097 117.2234 54.0943 32.0061 174.0724 48 M 4.0190 8.4859 117.9813 55.4037 32.3034 174.8129 49 P 4.8530 0.0000 0.0000 61.8972 34.0128 174.8857 50 V 4.4466 8.2453 118.7695 60.8180 34.4134 175.2171 51 R 4.5104 8.7979 126.3185 56.9153 31.3338 176.3619 52 T 4.4990 8.5432 117.0707 61.9003 71.8136 174.3713 53 K 5.2114 8.9344 125.7467 55.1356 33.7543 175.5589 54 A 4.8761 8.0833 121.3754 50.3695 22.4079 175.4966 55 K 4.5759 8.2707 117.1202 55.5238 35.6257 172.8559 56 R 3.9668 8.7373 129.0941 55.7119 30.3494 176.6049 57 T 4.2811 8.3837 118.8694 63.4545 69.5373 174.1021 58 V 4.5256 8.5239 124.6073 60.6294 34.5827 176.8803 59 G 3.6758 8.7885 114.6642 48.4808 0.0000 174.5077 60 E 4.2326 8.0959 118.7529 58.2317 28.1799 176.5753 61 F 4.2101 7.7632 116.2332 60.4996 39.0305 174.5567 62 D 4.9464 7.9709 115.1496 53.1738 41.4573 176.1415 63 I 3.8056 7.7762 114.3298 63.2470 38.8586 176.9586 64 R 3.8458 7.8820 121.3185 55.8781 30.0245 174.6518 65 E 3.7755 8.5023 128.7131 58.3498 29.8117 175.9895 66 G 4.0925 8.1394 114.5258 46.3922 0.0000 172.4474 67 D 4.6263 8.3536 123.0487 51.2408 42.2156 173.6435 68 P 4.4863 0.0000 0.0000 63.9741 31.4251 176.0121 69 I 4.5836 8.8851 121.4866 62.1346 42.3035 174.8103 70 G 4.3641 7.7906 106.5270 45.6089 0.0000 171.3062 71 A 5.8967 8.6091 118.5805 50.6471 23.1159 175.5920 72 K 5.0594 8.3737 117.3904 55.7894 37.0413 175.0937 73 V 4.6570 8.6671 120.2487 61.5978 35.0656 173.5175 74 T 4.7213 8.5442 118.4966 60.3012 70.0363 173.7492 75 L 4.6661 8.5978 127.3675 53.2271 43.8252 176.1295 76 R 4.8152 7.9274 120.5681 54.4628 34.2389 175.4562 77 D 4.3960 9.0054 121.4827 55.7027 39.3525 176.2346 78 E 3.9808 8.9733 125.7865 60.9167 27.6096 178.2425 79 M 4.0820 8.2130 117.8291 58.1525 31.8207 178.6150 80 A 4.1067 7.8788 120.3434 54.9763 18.9810 179.2562 81 E 3.9684 8.1223 117.0114 59.7509 29.4665 179.4492 82 E 4.0248 8.7095 116.6484 58.2221 29.8099 178.5487 83 F 4.4757 7.5320 119.7466 60.6961 39.9101 177.5775 84 L 4.0994 8.4643 118.8439 57.8722 41.1292 179.4795 85 Q 3.9342 8.2433 117.9515 58.1328 28.6897 177.8851 86 T 4.3708 7.4820 106.9052 61.3340 69.9159 175.4354 87 A 4.1710 7.2340 123.7520 54.5620 19.5943 179.0004 88 L 3.6073 7.9674 117.8406 57.5000 41.5749 177.8236 89 P 4.3738 0.0000 0.0000 64.1160 31.3538 177.2681 90 L 4.4759 7.4995 116.7243 53.7800 42.2310 175.6269 91 A 4.7618 7.3639 121.0843 50.3978 22.1601 176.2576 92 E 4.4934 8.2631 119.5402 53.6157 29.2191 175.2668 93 L 4.0046 8.1287 121.3621 54.9723 42.7298 176.7353 94 A 4.9866 8.3717 124.2912 50.2724 22.2948 177.2842 95 T 4.0372 8.6423 116.4485 66.8206 68.9204 176.7666 96 S 4.3336 8.1725 115.6032 61.4217 62.9338 175.9221 97 Q 4.2155 8.0413 115.4961 56.4129 27.9613 175.1889 98 F 4.9002 8.0185 116.9835 55.5215 41.2272 175.1916 99 D 4.7507 9.6705 124.7635 53.9459 41.9792 175.7094 100 D 4.6472 8.5041 119.6063 56.0819 41.2538 177.8813 101 T 4.2564 8.6026 114.3149 63.6522 68.8168 175.1885 102 G 4.0731 8.4801 109.5528 46.0946 0.0000 172.7315 103 N 5.2634 8.0316 115.8781 51.2550 42.0881 173.1824 104 F 4.7465 7.7088 110.5155 56.8251 41.2765 173.1421 105 S 4.9089 8.6498 115.9994 56.4467 65.0410 172.5559 106 F 4.9328 8.5474 121.0983 55.0404 41.5207 173.8793 107 G 3.8685 8.9592 103.3523 44.0995 0.0000 173.7484 *128 L 3.9882 8.1613 125.7864 55.1751 42.9664 176.4393 129 D 4.9647 8.8625 126.8524 52.8610 43.7331 176.3207 130 V 4.3999 8.1116 121.0488 61.6733 34.3571 173.9855 131 T 4.6488 8.3467 125.2171 61.6584 71.3894 174.1938 132 V 4.4861 7.7014 124.9858 61.0754 34.3290 173.8590 133 N 4.7317 9.2110 128.7273 52.6478 39.7861 173.5512 134 L 5.2399 8.2914 126.4346 53.3813 44.4681 176.0103 135 V 4.1657 7.9467 120.3856 61.2936 35.4210 172.4407 136 R 4.5190 8.1789 119.3489 54.2930 31.7624 176.3185 137 P 4.2339 0.0000 0.0000 65.9170 31.5046 178.2414 138 G 4.1000 7.9544 106.1603 46.0628 0.0000 174.9910 139 Y 4.3676 7.7308 121.8659 59.9045 38.9483 175.9822 140 R 3.8073 8.1766 119.4490 59.3494 29.9110 178.1423 141 V 3.5642 7.5001 116.3731 65.1377 31.1840 176.7336 142 A 4.8327 7.5397 119.0009 51.0885 19.6263 177.1067 143 K 4.2258 7.5322 115.4591 56.0300 33.7286 176.9769 144 R 4.2763 7.5361 114.8334 55.4151 30.6311 176.5829 145 D 4.4171 8.4966 118.1883 57.3005 41.1735 177.6151 146 K 4.0292 7.9482 118.4984 57.4748 32.7351 177.0606 147 A 4.3338 8.6498 124.6822 52.5946 16.2851 177.0976 148 S 4.5535 7.1449 113.2867 60.4598 64.1384 173.6900 149 R 4.6295 8.6930 119.6997 55.2490 33.8303 173.5970 150 S 4.6743 8.5123 119.1686 57.2403 63.5300 173.8461 151 I 3.8020 8.3957 127.8790 60.7848 37.5359 174.3316 152 P 4.4315 0.0000 0.0000 62.7142 32.1211 177.3333 153 T 3.9288 8.6939 112.0093 65.2320 68.1395 176.6790 154 K 3.9980 8.0184 119.7846 59.2054 32.2623 177.6681 155 H 4.5715 7.8419 114.7153 55.6425 30.3305 175.1883 156 R 4.2968 7.1789 118.9313 55.9096 30.9236 176.2184 157 L 4.1753 8.2063 122.7317 55.0261 43.0165 176.2970 158 N 5.1236 8.2255 120.2335 50.4718 42.8383 174.2397 159 P 4.2747 0.0000 0.0000 65.7921 31.4810 178.7625 160 A 3.8273 7.8992 118.7960 55.5207 18.2821 179.2761 161 D 4.3351 8.1564 116.3237 57.2270 40.7966 179.0606 162 A 4.0995 8.1359 121.6249 55.0671 18.5498 179.5349 163 V 3.1102 7.9434 116.9540 66.0631 31.3956 177.8201 164 A 3.8946 7.9800 120.1436 55.1999 18.0311 179.0300 165 F 4.0671 7.7100 117.6359 61.7212 39.7497 177.3069 166 I 3.6212 7.8733 119.0045 64.3752 36.7664 178.0186 167 E 4.6536 8.1949 120.4836 58.6111 29.3295 178.0692 168 S 4.5940 7.9899 111.0406 57.8254 63.5694 175.1049 169 T 4.6265 7.6551 117.2808 63.1315 70.7129 172.8572 170 Y 3.4309 7.9041 126.5800 57.5397 35.5579 168.4218 171 D 4.3701 6.6260 116.9642 53.8912 43.5213 175.6551 172 V 4.7579 8.0268 117.0913 61.4422 35.7023 176.8044 173 E 4.4288 8.3612 128.8815 54.1445 28.5180 176.7829 174 V 3.5943 8.4910 117.0962 63.1971 32.5891 172.7232 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 10 F 8.31 4.88 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 11 H 6.44 3.99 0.00 3.15 2.69 0.00 5.48 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.21 3.79 0.00 1.58 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 0.00 2.22 2.25 0.00 13 M 7.70 4.62 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 14 R 7.95 4.56 0.00 1.96 1.91 0.00 3.34 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 15 E 8.12 4.03 0.00 2.10 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 2.50 2.31 0.00 16 P 0.00 4.43 0.00 0.92 1.59 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 17 R 8.04 4.32 0.00 1.83 1.89 0.00 2.74 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 18 I 8.18 4.42 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.98 0.00 0.00 19 E 9.09 4.30 0.00 1.90 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 2.34 2.30 0.00 20 K 7.62 5.38 0.00 1.78 1.82 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.22 7.81 21 V 8.27 4.59 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 1.01 0.00 0.00 0.99 0.00 0.00 22 V 8.48 4.44 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.84 0.00 0.00 23 V 8.09 4.60 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 -0.05 0.00 0.00 0.68 0.00 0.00 24 H 9.07 5.18 0.00 3.15 2.98 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.67 4.47 0.00 1.89 1.86 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 2.42 2.38 0.00 26 G 8.20 3.61 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 27 I 8.46 3.70 1.89 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 1.28 0.70 0.73 0.00 0.00 28 G 5.38 4.72 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 0.00 0.00 0.00 29 H 7.22 4.45 0.00 3.11 3.29 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.97 4.36 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.45 4.45 0.00 2.84 2.96 0.00 0.00 5.90 7.26 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 37 A 7.85 4.20 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 38 E 8.22 4.04 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 39 D 8.19 4.39 0.00 2.68 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 40 I 7.42 3.78 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.80 0.92 0.00 0.00 41 L 7.96 4.11 0.00 1.87 1.72 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.10 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.85 4.09 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 44 I 7.94 4.01 1.95 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 1.89 0.82 1.12 0.00 0.00 45 T 7.64 4.41 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 0.99 0.00 0.00 46 G 7.76 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 47 Q 8.01 4.58 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.88 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 48 M 8.49 4.02 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 49 P 0.00 4.85 0.00 2.04 2.03 0.00 3.69 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 2.02 1.93 0.00 50 V 8.25 4.45 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 0.94 0.00 0.00 0.95 0.00 0.00 51 R 8.80 4.51 0.00 1.72 1.84 0.00 3.35 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.54 4.50 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 1.19 0.00 0.00 53 K 8.93 5.21 0.00 1.62 1.74 0.00 1.72 0.00 0.00 2.61 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.27 7.81 54 A 8.08 4.88 1.21 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 0.00 0.00 55 K 8.27 4.58 0.00 1.60 1.68 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 56 R 8.74 3.97 0.00 1.97 1.97 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 57 T 8.38 4.28 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 1.24 0.00 0.00 58 V 8.52 4.53 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 1.07 0.00 0.00 0.99 0.00 0.00 59 G 8.79 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 60 E 8.10 4.23 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 61 F 7.76 4.21 0.00 3.00 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 62 D 7.97 4.95 0.00 2.93 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.78 3.81 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 1.02 0.00 0.00 64 R 7.88 3.85 0.00 1.76 2.04 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 65 E 8.50 3.78 0.00 2.04 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 0.00 2.37 2.31 0.00 66 G 8.14 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 0.00 0.00 0.00 67 D 8.35 4.63 0.00 2.63 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 68 P 0.00 4.49 0.00 1.93 2.04 0.00 3.59 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 2.01 2.12 0.00 69 I 8.89 4.58 1.98 0.00 0.00 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 1.12 1.21 0.91 0.00 0.00 70 G 7.79 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 0.00 0.00 0.00 0.00 71 A 8.61 5.90 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 72 K 8.37 5.06 0.00 1.74 1.86 0.00 1.41 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.38 7.81 73 V 8.67 4.66 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 0.85 0.00 0.00 0.86 0.00 0.00 74 T 8.54 4.72 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 1.15 0.00 0.00 75 L 8.60 4.67 0.00 1.56 1.62 0.46 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.93 4.82 0.00 1.62 1.77 0.00 3.32 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 77 D 9.01 4.40 0.00 2.89 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 0.00 0.00 0.00 78 E 8.97 3.98 0.00 2.02 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 2.42 2.42 0.00 79 M 8.21 4.08 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 80 A 7.88 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.12 3.97 0.00 2.08 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 2.55 0.00 82 E 8.71 4.02 0.00 2.03 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 2.35 2.45 0.00 83 F 7.53 4.48 0.00 3.26 3.28 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 84 L 8.46 4.10 0.00 1.93 1.82 1.12 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.24 3.93 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.51 0.00 86 T 7.48 4.37 4.14 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 0.00 0.00 0.00 1.15 0.00 0.00 87 A 7.23 4.17 0.88 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 88 L 7.97 3.61 0.00 1.71 1.66 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.37 0.00 1.97 2.08 0.00 3.49 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 90 L 7.50 4.48 0.00 1.80 1.73 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.36 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.26 4.49 0.00 1.94 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 0.00 2.19 2.27 0.00 93 L 8.13 4.00 0.00 1.64 1.72 0.78 0.78 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 94 A 8.37 4.99 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 95 T 8.64 4.04 4.27 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 1.20 0.00 0.00 96 S 8.17 4.33 0.00 4.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.04 4.22 0.00 2.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 98 F 8.02 4.90 0.00 3.27 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 99 D 9.67 4.75 0.00 2.70 2.80 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 0.00 100 D 8.50 4.65 0.00 2.72 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 0.00 101 T 8.60 4.26 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 1.22 0.00 0.00 102 G 8.48 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 0.00 103 N 8.03 5.26 0.00 2.79 2.81 0.00 0.00 6.55 8.13 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 0.00 104 F 7.71 4.75 0.00 2.66 1.46 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 0.00 0.00 0.00 0.00 105 S 8.65 4.91 0.00 3.70 3.66 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 0.00 106 F 8.55 4.93 0.00 3.13 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 0.00 107 G 8.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 8.16 3.99 0.00 1.68 1.65 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.86 4.96 0.00 2.67 2.45 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 0.00 130 V 8.11 4.40 0.80 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 0.81 0.00 0.00 0.89 0.00 0.00 131 T 8.35 4.65 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 1.04 0.00 0.00 132 V 7.70 4.49 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 1.12 0.00 0.00 0.76 0.00 0.00 133 N 9.21 4.73 0.00 2.75 2.63 0.00 0.00 6.65 6.30 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 0.00 134 L 8.29 5.24 0.00 1.74 1.50 1.23 1.11 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 0.00 135 V 7.95 4.17 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 0.28 0.00 0.00 0.52 0.00 0.00 136 R 8.18 4.52 0.00 1.67 1.76 0.00 3.07 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 137 P 0.00 4.23 0.00 2.06 2.16 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 138 G 7.95 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 0.00 0.00 0.00 139 Y 7.73 4.37 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.18 3.81 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 141 V 7.50 3.56 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 0.99 0.00 0.00 0.97 0.00 0.00 142 A 7.54 4.83 1.06 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 0.00 143 K 7.53 4.23 0.00 1.60 1.76 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.78 1.36 7.81 144 R 7.54 4.28 0.00 1.89 1.90 0.00 3.00 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 145 D 8.50 4.42 0.00 2.67 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 0.00 146 K 7.95 4.03 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.65 4.33 1.27 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 0.00 0.00 148 S 7.14 4.55 0.00 3.92 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 0.00 149 R 8.69 4.63 0.00 1.88 1.72 0.00 3.12 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 150 S 8.51 4.67 0.00 3.92 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 0.00 151 I 8.40 3.80 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.23 1.05 0.00 0.00 152 P 0.00 4.43 0.00 2.21 2.00 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 153 T 8.69 3.93 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 1.23 0.00 0.00 154 K 8.02 4.00 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 7.84 4.57 0.00 3.14 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.18 4.30 0.00 2.10 1.86 0.00 3.42 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 157 L 8.21 4.18 0.00 1.52 1.79 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.23 5.12 0.00 2.95 2.67 0.00 0.00 6.96 8.03 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 0.00 159 P 0.00 4.27 0.00 2.14 2.14 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.42 0.00 160 A 7.90 3.83 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 0.00 161 D 8.16 4.34 0.00 2.83 2.75 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 0.00 162 A 8.14 4.10 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.94 3.11 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 0.77 0.00 0.00 0.12 0.00 0.00 164 A 7.98 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 7.71 4.07 0.00 2.99 3.31 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 0.00 166 I 7.87 3.62 1.85 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 1.67 1.13 0.85 0.00 0.00 167 E 8.19 4.65 0.00 1.88 2.13 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 2.26 2.12 0.00 168 S 7.99 4.59 0.00 3.89 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 0.00 169 T 7.66 4.63 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 170 Y 7.90 3.43 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 6.63 4.37 0.00 2.85 2.80 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 0.00 172 V 8.03 4.76 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 0.85 0.00 0.00 0.90 0.00 0.00 173 E 8.36 4.43 0.00 2.01 1.54 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 2.37 2.24 0.00 174 V 8.49 3.59 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.