NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4621 8.1849 120.5863 53.7384 43.5221 176.1343 8 P 4.4038 0.0000 0.0000 61.1952 32.9555 173.1285 9 P 4.3422 0.0000 0.0000 64.9502 31.7126 176.8856 10 G 3.5846 9.3576 112.8289 44.6304 0.0000 172.6426 11 W 4.9563 7.7372 121.8260 56.9162 30.0737 176.4333 12 E 4.9928 9.8320 120.8802 54.9377 34.1360 172.8169 13 K 4.4719 8.6849 121.4796 55.9894 33.7550 175.2824 14 A 4.4629 7.9862 126.4944 51.1395 23.4128 174.1164 15 M 4.8850 8.2106 118.5631 53.7202 34.1029 175.5410 16 S 4.4068 9.6267 121.4734 58.5131 63.4110 175.1445 17 R 4.0143 8.8483 126.2565 59.7692 30.2589 178.5334 18 S 4.3150 8.2584 112.2483 61.2794 63.1049 175.4780 19 S 4.3629 7.9508 113.0612 58.1433 63.6287 175.5452 20 G 3.9865 8.0017 107.6494 44.8734 0.0000 173.3813 21 R 4.2155 7.6328 120.7790 55.8444 31.3575 175.8437 22 V 4.3930 8.5731 125.9185 63.6822 32.6775 174.4215 23 Y 5.1028 8.6775 123.8966 56.0533 41.9718 172.8939 24 Y 5.2636 9.3539 115.4390 56.5931 42.3156 174.7176 25 F 5.6547 9.7854 124.9352 56.4720 43.5949 172.8615 26 N 4.7175 7.6072 123.6484 51.6847 40.5198 174.3280 27 H 4.2011 8.3785 121.6735 56.8119 28.9909 176.6457 28 I 3.9241 7.7604 120.6331 63.4487 37.6141 176.8164 29 T 4.0934 7.4375 108.0589 60.7334 69.9940 175.2349 30 N 4.0319 8.1737 118.9593 53.8041 37.0188 173.5297 31 A 4.6247 7.1879 120.8085 52.0353 19.6535 177.5728 32 S 5.6330 8.5648 114.3157 57.2233 66.3402 173.1921 33 Q 4.5527 9.6217 119.3585 54.9238 31.5937 175.5496 34 W 4.5830 8.7375 121.2504 60.0309 29.4566 177.0461 35 E 4.4281 8.1187 115.9050 55.2879 29.9070 176.4570 36 R 2.5100 8.1553 122.1317 55.1393 30.7240 173.8694 37 P 4.4650 0.0000 0.0000 60.7902 32.9217 174.2475 38 S 4.3772 8.5864 116.8844 58.9504 64.7347 174.5585 39 G 3.7894 7.5870 108.7152 43.3365 0.0000 172.4249 *51 E 4.0962 8.5146 123.4830 55.1021 30.4996 173.7006 52 P 4.6031 0.0000 0.0000 61.9145 32.4411 176.2422 53 A 4.2124 8.5817 122.3075 54.8047 18.6747 177.7571 54 R 5.1284 7.7417 112.5260 54.7597 34.2245 175.2284 55 V 4.3727 7.9457 114.5731 59.3182 36.3943 174.3330 56 R 4.8290 8.4462 121.8930 53.7995 32.9782 174.1303 57 C 5.3717 8.8050 121.8288 58.3038 33.3794 172.8445 58 S 5.5320 8.7615 116.3567 57.6548 66.2038 172.5533 59 H 5.7012 9.4711 116.1266 54.7815 32.7511 171.8532 60 L 4.7126 9.2413 120.2576 53.0884 45.1084 174.5316 61 L 5.0541 8.7093 128.0860 53.1824 44.9161 174.8562 62 V 4.6783 8.7659 126.6552 61.1725 33.3773 175.4446 63 K 4.7164 9.0303 128.2700 56.2754 33.6594 175.3605 64 H 4.9663 8.7874 116.5710 54.1342 31.6156 174.3289 65 S 4.0977 8.8286 113.9047 61.3190 62.5673 175.1892 66 Q 4.4814 8.1457 117.2612 55.5421 28.7608 175.8808 67 S 4.3714 7.7731 114.9961 58.3037 63.3510 174.5935 68 R 3.9944 8.7401 124.2187 58.9359 29.8924 176.7487 69 R 4.4587 7.4636 116.7681 53.6739 30.8452 172.8288 70 P 4.6343 0.0000 0.0000 60.5547 30.1867 175.7775 71 S 4.8121 7.2484 113.7456 58.1815 66.4999 173.6557 72 S 4.5841 9.0913 115.4549 56.6930 65.7186 175.2260 73 W 4.4851 8.9664 117.7000 59.7316 27.4649 177.6701 74 R 3.5167 6.8996 117.1814 57.9983 30.0206 176.8488 75 Q 4.4347 7.7363 118.3432 54.3861 32.4089 174.6132 76 E 3.9290 9.0410 126.5658 58.3338 29.9340 176.5000 77 K 4.5152 7.7810 119.2692 54.4493 33.9591 174.8166 78 I 4.4563 8.8938 128.3912 59.7300 37.6930 175.8954 79 T 4.5176 8.2959 114.4069 60.9695 70.6305 174.7187 80 R 4.0959 7.8905 119.6095 56.6341 29.8802 176.3117 81 T 4.3995 9.0827 111.4235 61.1453 70.9085 175.4942 82 K 3.6495 8.5252 122.2788 59.9329 31.9522 178.4269 83 E 3.9609 8.0981 118.8732 59.0610 29.6349 178.4938 84 E 3.8670 8.2979 118.5523 59.3400 29.4918 178.8920 85 A 3.9573 8.1291 120.9239 55.2559 18.3414 179.4920 86 L 3.8145 8.0621 118.7036 58.3401 42.2050 178.8666 87 E 3.9320 8.3406 118.6904 59.3702 29.3333 179.4798 88 L 3.4484 7.7295 118.7131 57.6958 41.6256 179.2356 89 I 3.6986 7.6893 119.9468 64.8307 37.1067 178.0691 90 N 4.4031 8.5271 117.4198 56.3491 38.4315 177.7199 91 G 3.4749 7.7746 107.0529 47.8448 0.0000 175.4584 92 Y 4.4609 7.5129 118.9739 60.8625 37.9063 178.0361 93 I 3.8078 8.1761 121.1049 64.6709 37.2682 178.3166 94 Q 4.0560 8.2131 118.6773 59.1868 28.6218 179.4011 95 K 4.1229 8.1616 119.1389 59.3341 31.9482 179.6157 96 I 4.2819 8.0188 121.6794 64.0007 36.8542 178.6944 97 K 4.1377 8.3678 118.8535 59.1634 31.9703 179.2212 98 S 4.3744 8.1285 113.6337 59.3028 63.2592 175.5128 99 G 3.9942 7.7361 110.1121 45.2224 0.0000 173.9841 100 E 4.1117 7.9223 120.2226 58.5393 29.9499 176.6088 101 E 4.8021 8.2874 116.4675 53.7500 33.9589 174.2429 102 D 5.0616 8.2637 120.6100 51.7950 42.7851 177.1252 103 F 3.9084 8.8149 121.9298 61.9293 39.1917 177.3205 104 E 4.0788 8.2840 117.3505 59.4172 29.3311 179.1610 105 S 4.0142 7.9513 112.5650 61.2611 62.3803 176.2419 106 L 3.8265 7.7691 121.4204 57.3313 41.3070 179.2956 107 A 3.7080 7.8573 121.1163 55.2963 18.0758 179.8205 108 S 4.2599 8.0020 113.6806 61.8543 62.6099 177.1559 109 Q 3.8499 7.5694 119.7121 57.9940 28.5379 177.0398 110 F 4.9414 7.7864 114.6335 56.8463 40.8011 175.4619 111 S 4.4677 8.0686 116.6506 58.2707 62.5656 173.3316 112 D 4.4716 9.0911 126.9329 54.6549 40.9980 175.9027 113 C 4.6648 7.7652 120.6439 58.0524 32.9779 174.5557 114 S 4.3389 8.6826 120.3335 61.0021 62.5921 176.0947 115 S 4.3249 8.1253 116.5266 59.4957 62.8106 175.3282 116 A 4.0581 8.0514 125.8087 55.7690 17.8731 179.6587 117 K 3.8930 7.7753 114.8217 57.9205 32.3281 177.6308 118 A 4.6482 7.5943 122.2223 51.7691 19.5272 176.4945 119 R 3.8508 8.2130 114.9478 57.8445 28.3026 178.1449 120 G 4.1912 8.6642 105.7889 46.4028 0.0000 173.8587 121 D 4.7826 7.8245 119.5248 53.7971 41.5392 175.7745 122 L 4.4292 8.7512 125.5223 54.0122 43.1018 177.4884 123 G 3.8212 8.5582 107.6159 44.3909 0.0000 172.1081 124 A 4.8870 8.2190 119.6902 51.4255 20.1964 176.9881 125 F 5.1690 8.4817 113.9115 56.0282 41.8112 173.1307 126 S 5.6342 9.8085 115.5056 55.3755 65.8853 173.8770 127 R 4.1196 8.2444 118.5027 57.6006 30.0827 177.5442 128 G 4.0442 9.6627 109.7921 45.4399 0.0000 174.0959 129 Q 4.4107 7.9669 117.0536 56.9453 30.6046 175.8749 130 M 4.3474 7.6285 115.1229 53.3876 34.0061 176.2609 131 Q 4.0636 8.2888 119.0842 56.4401 30.5018 178.2873 132 K 3.9801 8.7572 123.6446 59.4125 32.3178 177.8435 133 P 4.4858 0.0000 0.0000 65.3609 31.2033 178.5222 134 F 4.0213 8.1963 119.2765 61.0415 39.3896 176.7337 135 E 4.3314 8.6475 119.1353 59.6410 29.5666 178.5139 136 D 4.4291 8.8171 119.0197 57.3959 40.9692 178.7077 137 A 3.9274 7.9680 121.0717 55.1314 18.1182 179.8604 138 S 3.9100 7.9125 112.7055 61.8336 63.0920 176.7581 139 F 4.0575 8.4270 118.1085 59.3623 38.7685 176.9044 140 A 4.2978 7.5585 118.9538 52.6043 19.1972 177.7978 141 L 4.1991 7.0464 116.8883 54.8650 42.4862 177.1388 142 R 4.4451 9.7882 122.3621 54.6835 31.6673 176.2766 143 T 3.9629 8.1713 116.1673 65.7226 68.7052 174.4445 144 G 3.9932 8.9964 114.7903 45.0849 0.0000 173.5516 145 E 4.4759 8.0398 118.9826 55.7978 31.2219 175.2657 146 M 5.1573 8.4377 121.6159 53.7528 35.0481 175.3802 147 S 4.4167 8.9066 120.4268 57.5939 64.9036 174.4997 148 G 4.3790 8.0635 108.6840 43.7999 0.0000 170.8969 149 P 4.4632 0.0000 0.0000 62.8382 31.9979 176.1978 150 V 4.5212 8.7765 125.2196 61.1313 33.9609 174.0571 151 F 5.3038 9.2854 126.8427 56.3957 40.7095 175.1792 152 T 4.8713 8.9060 112.7251 59.8306 72.0373 174.2012 153 D 4.5710 8.6122 119.4935 56.9784 40.9280 179.0148 154 S 4.2898 8.1561 115.1647 59.4289 63.9784 175.1547 155 G 3.7400 6.4802 108.6153 45.3902 0.0000 171.1700 156 I 4.7297 8.1523 124.0920 59.7577 40.0686 174.7092 157 H 5.5473 9.3702 123.3721 54.1720 32.1511 173.0692 158 I 4.7802 8.9330 122.8508 59.7718 39.6092 174.5760 159 I 4.9407 8.9626 128.0898 59.3392 40.1195 174.1696 160 L 4.7881 8.4869 128.9873 53.0286 44.3967 174.9527 161 R 4.6011 8.7341 128.0021 56.1362 30.5293 176.5310 162 T 4.2546 8.9134 116.9387 62.4157 70.7376 174.7924 163 E 4.1551 7.6520 126.4902 56.7559 30.5991 174.6153 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 7 L 8.18 4.46 0.00 1.70 1.74 1.12 0.78 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 8 P 0.00 4.40 0.00 2.40 2.06 0.00 3.54 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 2.03 2.26 0.00 9 P 0.00 4.34 0.00 1.95 2.05 0.00 3.76 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 2.08 2.17 0.00 10 G 9.36 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.74 4.96 0.00 3.42 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 12 E 9.83 4.99 0.00 1.54 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 2.13 2.11 0.00 13 K 8.68 4.47 0.00 1.77 1.64 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.03 0.80 7.81 14 A 7.99 4.46 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.21 4.89 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 16 S 9.63 4.41 0.00 4.27 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 17 R 8.85 4.01 0.00 1.85 1.99 0.00 3.43 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 18 S 8.26 4.31 0.00 3.93 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 19 S 7.95 4.36 0.00 4.00 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 0.00 20 G 8.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.63 4.22 0.00 1.82 1.86 0.00 2.97 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 22 V 8.57 4.39 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 0.76 0.00 0.00 0.93 0.00 0.00 23 Y 8.68 5.10 0.00 3.07 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 24 Y 9.35 5.26 0.00 2.98 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 25 F 9.79 5.65 0.00 3.23 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 26 N 7.61 4.72 0.00 1.44 1.42 0.00 0.00 6.93 7.75 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 27 H 8.38 4.20 0.00 3.28 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.76 3.92 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.19 0.89 0.00 0.00 29 T 7.44 4.09 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 0.98 0.00 0.00 30 N 8.17 4.03 0.00 3.01 3.06 0.00 0.00 6.74 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 31 A 7.19 4.62 1.24 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 0.00 0.00 32 S 8.56 5.63 0.00 4.05 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 0.00 33 Q 9.62 4.55 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 34 W 8.74 4.58 0.00 3.46 3.41 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 35 E 8.12 4.43 0.00 1.97 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 2.35 2.43 0.00 36 R 8.16 2.51 0.00 1.35 1.51 0.00 3.06 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.00 37 P 0.00 4.46 0.00 1.29 1.10 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 38 S 8.59 4.38 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.59 3.79 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 0.00 0.00 0.00 *51 E 8.51 4.10 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 52 P 0.00 4.60 0.00 2.42 2.04 0.00 4.00 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 53 A 8.58 4.21 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 54 R 7.74 5.13 0.00 1.63 1.72 0.00 3.17 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 1.57 1.68 0.00 55 V 7.95 4.37 1.59 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 -0.26 0.00 0.00 -0.49 0.00 0.00 56 R 8.45 4.83 0.00 1.72 1.61 0.00 3.05 0.00 0.00 3.34 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 57 C 8.81 5.37 0.00 3.26 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 58 S 8.76 5.53 0.00 3.91 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 59 H 9.47 5.70 0.00 3.67 3.77 0.00 5.22 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.24 4.71 0.00 1.33 1.47 0.46 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.71 5.05 0.00 1.67 1.41 0.75 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.77 4.68 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 1.00 0.00 0.00 1.10 0.00 0.00 63 K 9.03 4.72 0.00 1.61 1.66 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.33 7.81 64 H 8.79 4.97 0.00 3.39 3.40 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.83 4.10 0.00 4.01 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 66 Q 8.15 4.48 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 67 S 7.77 4.37 0.00 3.85 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 68 R 8.74 3.99 0.00 1.92 1.97 0.00 3.37 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 69 R 7.46 4.46 0.00 1.74 1.76 0.00 3.29 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 70 P 0.00 4.63 0.00 2.42 2.39 0.00 3.48 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 71 S 7.25 4.81 0.00 4.04 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 72 S 9.09 4.58 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.97 4.49 0.00 3.47 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 74 R 6.90 3.52 0.00 1.35 1.47 0.00 2.82 0.00 0.00 2.91 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.74 4.43 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 76 E 9.04 3.93 0.00 1.96 1.95 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 2.29 2.30 0.00 77 K 7.78 4.52 0.00 1.69 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 78 I 8.89 4.46 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.05 0.88 0.00 0.00 79 T 8.30 4.52 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 80 R 7.89 4.10 0.00 2.09 2.10 0.00 3.14 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 81 T 9.08 4.40 4.23 0.00 0.00 0.00 0.00 0.00 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 82 K 8.53 3.65 0.00 1.59 1.81 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.36 7.81 83 E 8.10 3.96 0.00 2.08 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 2.37 2.40 0.00 84 E 8.30 3.87 0.00 2.29 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 85 A 8.13 3.96 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 86 L 8.06 3.81 0.00 1.85 1.87 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.34 3.93 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 88 L 7.73 3.45 0.00 1.67 1.21 0.84 0.31 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 89 I 7.69 3.70 1.95 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 1.59 0.91 0.90 0.00 0.00 90 N 8.53 4.40 0.00 2.78 2.84 0.00 0.00 6.97 7.24 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 91 G 7.77 3.47 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 0.00 92 Y 7.51 4.46 0.00 3.22 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 93 I 8.18 3.81 2.06 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 1.63 0.95 0.98 0.00 0.00 94 Q 8.21 4.06 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 95 K 8.16 4.12 0.00 2.09 1.94 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.79 7.81 96 I 8.02 4.28 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.45 1.06 0.00 0.00 97 K 8.37 4.14 0.00 1.84 1.94 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.66 7.81 98 S 8.13 4.37 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.74 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.92 4.11 0.00 2.01 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 0.00 2.37 2.33 0.00 101 E 8.29 4.80 0.00 2.06 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 0.00 2.29 2.47 0.00 102 D 8.26 5.06 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.81 3.91 0.00 3.26 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.28 4.08 0.00 2.15 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 2.48 2.60 0.00 105 S 7.95 4.01 0.00 3.87 4.08 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 0.00 106 L 7.77 3.83 0.00 1.60 1.30 0.99 1.07 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 0.00 107 A 7.86 3.71 1.05 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 0.00 108 S 8.00 4.26 0.00 3.75 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 0.00 109 Q 7.57 3.85 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 110 F 7.79 4.94 0.00 2.62 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 0.00 111 S 8.07 4.47 0.00 3.81 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 0.00 112 D 9.09 4.47 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 7.77 4.66 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.68 4.34 0.00 4.07 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 0.00 115 S 8.13 4.32 0.00 4.30 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.05 4.06 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.78 3.89 0.00 1.69 1.71 0.00 1.36 0.00 0.00 1.47 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.07 0.89 7.81 118 A 7.59 4.65 1.26 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 0.00 0.00 119 R 8.21 3.85 0.00 2.03 2.07 0.00 3.18 0.00 0.00 3.08 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 120 G 8.66 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 0.00 121 D 7.82 4.78 0.00 2.71 2.76 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 0.00 122 L 8.75 4.43 0.00 2.04 1.73 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.56 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.22 4.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.48 5.17 0.00 3.18 3.14 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 0.00 126 S 9.81 5.63 0.00 3.98 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 0.00 127 R 8.24 4.12 0.00 1.61 1.76 0.00 2.88 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 128 G 9.66 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 0.00 0.00 0.00 129 Q 7.97 4.41 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 130 M 7.63 4.35 0.00 1.77 2.01 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 131 Q 8.29 4.06 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 132 K 8.76 3.98 0.00 1.79 1.91 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.51 7.81 133 P 0.00 4.49 0.00 2.34 2.19 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 134 F 8.20 4.02 0.00 3.04 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 0.00 135 E 8.65 4.33 0.00 2.28 2.22 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 2.50 2.72 0.00 136 D 8.82 4.43 0.00 2.78 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 0.00 137 A 7.97 3.93 1.26 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 0.00 0.00 138 S 7.91 3.91 0.00 4.29 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 0.00 139 F 8.43 4.06 0.00 3.04 3.14 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 0.00 140 A 7.56 4.30 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 0.00 141 L 7.05 4.20 0.00 1.72 1.54 0.86 0.78 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 0.00 142 R 9.79 4.45 0.00 1.96 1.82 0.00 3.26 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 143 T 8.17 3.96 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 144 G 9.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.04 4.48 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 146 M 8.44 5.16 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 147 S 8.91 4.42 0.00 3.99 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 0.00 148 G 8.06 4.38 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 0.00 149 P 0.00 4.46 0.00 2.04 1.89 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 150 V 8.78 4.52 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 1.04 0.00 0.00 0.94 0.00 0.00 151 F 9.29 5.30 0.00 2.93 3.06 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 0.00 152 T 8.91 4.87 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 1.34 0.00 0.00 153 D 8.61 4.57 0.00 2.76 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 0.00 154 S 8.16 4.29 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 0.00 155 G 6.48 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 0.00 0.00 0.00 156 I 8.15 4.73 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.60 0.32 0.00 0.00 157 H 9.37 5.55 0.00 3.11 3.44 0.00 5.58 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 0.00 158 I 8.93 4.78 2.12 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 1.35 0.81 1.23 0.00 0.00 159 I 8.96 4.94 1.67 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.67 0.67 0.00 0.00 160 L 8.49 4.79 0.00 0.70 0.61 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.73 4.60 0.00 1.78 1.83 0.00 3.04 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 162 T 8.91 4.25 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 1.12 0.00 0.00 163 E 7.65 4.16 0.00 1.90 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 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.