NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8950 8.3549 109.7289 44.3685 0.0000 175.4422 4 P 4.0095 0.0000 0.0000 62.1758 32.7432 172.7687 5 E 3.9149 9.6072 125.6584 58.8097 31.0397 175.4002 6 Y 5.0005 7.4753 117.1582 56.5731 40.1135 174.6118 7 K 4.6830 9.9136 124.9296 55.1111 33.9063 175.8286 8 V 4.9039 8.8212 125.2428 60.9770 34.6272 174.1377 9 A 4.9173 9.0181 127.5703 50.0469 22.7750 174.8640 10 I 5.0247 8.4653 120.6712 59.3743 41.0987 174.2567 11 L 5.2789 9.1035 128.8338 53.7401 44.5785 174.9223 12 T 4.8867 9.0045 123.7781 62.0795 70.6986 173.8160 13 V 4.7366 8.5849 126.3561 60.8977 33.9764 174.7800 14 S 4.9804 8.7070 121.5180 57.2406 66.3695 176.9696 15 D 4.4137 9.2566 129.5415 58.0059 40.7552 179.1664 16 T 3.8353 7.8912 115.2275 66.8312 68.4581 176.6474 17 V 3.7654 7.8286 119.8836 66.1351 31.3734 178.0296 18 S 4.0850 8.1274 111.4651 60.6532 62.2843 174.9715 19 A 4.4336 7.6779 121.1124 51.4147 18.8742 177.8674 20 G 3.7977 8.0999 105.4333 45.8509 0.0000 174.6885 21 A 4.1769 7.9178 121.3045 52.7940 18.7160 177.6249 22 G 3.9486 7.3913 103.0319 44.5456 0.0000 170.7597 23 P 4.5638 0.0000 0.0000 61.2738 33.4194 174.3273 24 D 4.7040 8.3522 117.4468 53.1033 41.0605 176.3005 25 R 4.5157 8.5150 125.7498 56.6571 31.6764 178.1533 26 S 4.5985 8.1040 112.7871 59.9406 63.7814 175.9430 27 G 3.9645 10.3430 111.1947 46.8517 0.0000 173.6955 28 P 4.2827 0.0000 0.0000 65.2078 31.1095 178.7138 29 R 3.8874 7.9389 117.1226 58.9294 30.0387 178.4667 30 A 3.9713 7.9578 120.5744 55.2314 18.4315 179.6611 31 V 3.5083 7.8938 116.7325 66.4659 31.5145 178.2582 32 S 4.1315 8.1613 112.6772 61.1538 61.9591 176.1510 33 V 3.5944 7.8488 120.8347 65.7702 31.5127 177.8955 34 V 3.7312 8.0633 118.2014 66.0947 31.4313 177.5917 35 D 4.3115 8.0995 118.4322 57.6324 40.5908 178.8335 36 S 4.1974 8.2297 111.9854 60.5916 62.5154 175.2215 37 S 4.6621 8.2097 116.2590 57.9894 63.2415 175.3760 38 S 4.0906 7.8985 118.0469 62.3127 61.9759 175.1069 39 E 3.9980 8.4549 120.4882 59.8494 28.9412 178.5458 40 K 3.3967 7.9482 120.3994 59.0080 32.5509 177.9878 41 L 4.1982 7.9406 117.3088 55.3058 41.8726 177.5370 42 G 3.8295 8.8643 108.5224 45.2207 0.0000 169.9124 43 G 3.7571 10.3349 117.1473 44.9433 0.0000 173.3260 44 A 4.9247 8.4071 126.8456 50.7438 22.6101 174.9843 45 K 4.6622 8.9533 120.6366 55.0129 36.4093 174.9306 46 V 4.5326 7.6581 122.3902 62.2135 31.9836 176.0219 47 V 4.4479 8.4530 119.6722 60.9479 33.3272 175.4573 48 A 4.6190 7.2503 120.7019 51.1454 22.1653 175.4294 49 T 5.7869 8.6727 109.8528 59.5730 72.5195 172.5634 50 A 4.8000 8.5716 121.7043 51.1386 22.8258 175.1217 51 V 4.9097 8.3487 118.6469 61.3306 34.4287 175.0968 52 V 4.6949 8.4829 119.2652 58.9366 36.6140 173.1734 53 P 4.7118 0.0000 0.0000 61.8430 32.8523 176.9332 54 D 4.6995 9.1242 120.5472 53.2562 39.2765 176.3935 55 E 4.6730 7.5448 119.3373 53.4611 34.4857 176.2955 56 V 3.5962 8.4251 117.3617 64.7326 31.7891 178.4127 57 E 3.9476 8.1846 117.6076 59.6713 28.7636 179.6132 58 R 3.9138 7.8483 117.4471 59.1904 30.1685 179.0492 59 I 3.7133 7.5694 119.4989 63.9923 37.0478 178.4290 60 K 3.8600 8.5676 119.7001 59.5727 31.8290 178.8755 61 D 4.2958 7.9675 118.8628 57.5804 40.7714 179.0957 62 I 3.2311 7.1196 118.9487 64.2169 37.0775 178.5123 63 L 4.0278 7.6943 119.7667 57.7474 41.3499 179.7555 64 Q 3.9409 8.1865 118.2004 58.8094 28.6628 178.3693 65 K 3.8972 8.6090 121.4854 59.6571 32.1011 178.7862 66 W 4.6373 8.6424 119.1570 59.2608 28.5766 178.9291 67 S 4.3224 8.0259 116.5292 60.9657 62.3993 176.3352 68 D 4.4647 8.4047 120.4553 56.5062 40.7035 177.7637 69 V 4.0542 7.8385 117.7826 65.0430 32.1635 176.8117 70 D 4.4724 8.1733 116.4060 54.4487 41.2074 174.1266 71 E 3.9187 7.3163 120.8920 55.3194 29.8875 174.1002 *73 D 4.7818 8.3998 120.3636 53.7779 44.1507 175.2429 74 L 5.0985 8.0071 119.8887 53.4499 45.6324 175.1820 75 I 5.0825 8.9217 127.6724 59.6003 39.8603 174.5172 76 L 5.3750 8.9637 127.3583 53.1365 44.3686 175.6359 77 T 5.1814 8.6737 113.2134 59.9719 72.1499 173.1482 78 L 4.8894 8.8438 122.7668 54.3082 45.1657 177.6929 79 G 4.1051 8.9224 108.4813 46.5118 0.0000 172.5324 80 G 4.2620 8.8943 103.6813 46.7482 0.0000 174.9117 81 T 4.6592 7.9927 106.9666 60.9179 69.6303 174.2559 82 G 4.4235 7.6874 112.4032 46.2512 0.0000 173.5271 83 F 4.6066 8.8247 116.7191 57.9756 40.2100 176.5027 84 T 4.0899 7.8983 117.8237 63.1833 68.7413 173.3846 85 P 4.3373 0.0000 0.0000 65.2278 31.6237 178.1269 86 R 4.0418 7.8758 116.0234 58.0768 30.5404 175.6565 87 D 4.4467 7.8511 117.8872 55.2303 40.0067 176.4746 88 V 4.8060 7.9231 116.5107 60.0836 32.8022 178.3385 89 T 3.8575 8.3239 119.9794 66.5702 68.1194 174.6541 90 P 4.3606 0.0000 0.0000 65.4927 30.8900 178.5224 91 E 3.9246 8.1695 116.8948 59.2302 29.1655 179.1345 92 A 4.0068 7.8470 120.0366 55.4963 18.7822 179.4308 93 T 3.9537 8.4440 114.6137 66.8364 68.2780 177.0334 94 K 4.0908 8.2062 119.6590 59.0447 32.1388 179.0780 95 K 4.2001 7.7703 117.3046 58.0026 32.0758 177.8422 96 V 4.3338 7.5120 110.7646 60.9789 33.8352 176.2082 97 I 4.1331 7.6095 112.3641 60.6886 38.4459 174.9853 98 E 4.5891 9.5059 121.5520 56.9671 32.0212 176.8651 99 R 4.6219 7.6868 117.9350 54.1566 33.5590 175.3465 100 E 4.4785 8.9692 123.8010 55.9433 30.7392 177.1561 101 T 4.6604 7.7731 109.0072 59.2184 68.5321 173.2323 102 P 4.5169 0.0000 0.0000 65.5951 31.8163 178.5075 103 G 3.6657 8.0825 104.9051 47.6434 0.0000 175.5485 104 L 4.0458 7.6763 120.3270 57.7073 41.7791 179.3002 105 L 4.1596 7.9207 116.9972 57.6859 41.6360 178.9500 106 F 4.1761 8.4460 120.2697 60.4422 40.7884 177.0913 107 V 3.9798 8.2188 120.7060 63.1283 28.6471 175.5131 *110 Q 4.0650 8.0036 123.7195 55.6030 31.2774 177.0735 111 E 4.0799 8.1635 117.4234 59.5523 29.5209 179.6814 112 S 4.3748 8.0256 113.4928 61.1355 62.9047 175.7374 113 L 4.3709 7.3212 119.8714 56.3707 41.4301 178.5116 114 K 4.2079 8.1786 118.5589 58.3166 32.2509 178.9064 115 I 3.9791 7.4836 119.2683 63.1382 38.1174 175.7848 116 T 4.6374 7.3677 112.2573 60.0848 70.4157 172.5067 117 P 4.2611 0.0000 0.0000 65.3598 31.5070 177.5273 118 F 4.0662 8.2127 116.8388 59.0205 39.5117 176.0378 119 A 4.2306 7.6989 126.7066 52.0691 16.4823 178.6105 *121 L 4.1954 7.6372 120.3833 53.9656 44.0593 177.5406 122 S 4.3988 8.1204 114.9808 58.4207 62.7049 174.4111 123 R 4.7258 9.3553 129.0849 55.4251 30.5669 176.6940 124 S 4.3116 7.8536 113.3273 59.4252 63.7978 174.3940 125 A 4.8910 8.2514 123.7738 50.5098 22.8473 174.5524 126 A 4.7621 7.4585 117.0972 51.3651 22.6346 176.3467 127 G 3.9338 7.7875 105.9172 46.6891 0.0000 171.4045 128 I 5.1395 8.1994 120.3451 59.3879 40.3539 175.3022 129 R 4.9161 9.0409 126.3615 54.8235 32.9687 175.8501 130 G 3.9802 9.4907 117.5825 47.0543 0.0000 174.2836 131 S 4.7293 9.1226 114.2554 57.8496 63.1596 173.1322 132 T 4.7078 8.2021 118.7417 62.6175 70.4234 173.6049 133 L 4.6056 8.6736 129.4562 54.6951 43.5884 175.2656 134 I 5.0260 8.9281 127.5390 59.6340 40.2105 174.6841 135 I 4.8620 8.5620 126.7274 59.6623 40.6600 175.3327 136 N 5.5484 8.5771 124.7520 51.3810 39.9042 172.8556 *138 P 4.2162 0.0000 0.0000 62.1022 32.4338 177.5418 139 G 3.8322 8.7560 109.6919 48.4888 0.0000 174.1414 140 N 4.3963 8.1129 117.2076 52.8509 39.0512 174.1948 141 P 4.2742 0.0000 0.0000 65.5125 31.8353 177.4333 142 N 4.5163 8.1056 114.3817 54.9725 39.4882 176.8394 143 A 3.9588 7.7429 121.0882 55.4925 18.1243 179.7265 144 V 3.6040 7.8084 114.1463 66.0188 31.6135 177.6442 145 A 4.1400 7.7309 119.0785 55.3173 18.5599 179.0430 146 E 4.1451 8.1748 117.1567 59.5443 29.5788 179.8216 147 C 4.2575 8.3668 113.6290 60.6485 27.6866 175.0959 *149 E 4.2223 8.1484 123.3115 56.1832 30.9615 177.4162 150 A 4.1711 7.6883 119.9856 54.7719 18.6675 179.0181 151 L 4.2395 7.8661 116.5517 56.8398 41.7930 178.9360 152 L 4.0966 7.9747 119.2641 57.5444 42.0177 176.7328 153 P 4.4508 0.0000 0.0000 64.2736 31.6281 176.4019 154 A 4.6863 8.5090 118.3027 50.4552 20.8607 177.5511 155 L 4.1435 7.9240 117.3230 57.7026 42.0342 178.3565 156 K 3.8538 7.9710 119.6344 59.6269 32.2018 177.8026 157 H 4.1750 8.2807 117.5947 59.2687 29.5188 176.8331 158 A 3.9146 8.1096 121.9238 55.4008 18.4234 179.3957 159 L 3.9040 8.1585 117.7331 57.4197 41.2854 179.6217 160 K 4.0440 7.8981 118.8689 59.8313 32.3296 178.7551 161 Q 4.0182 8.2019 119.1920 59.1246 28.5883 177.3354 *162 I 3.9713 7.2086 121.9208 59.9832 36.2994 180.2371 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 3 G 8.35 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 0.00 0.00 0.00 4 P 0.00 4.01 0.00 2.10 2.01 0.00 3.65 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 2.01 2.11 0.00 5 E 9.61 3.91 0.00 1.70 1.68 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 1.54 2.04 0.00 6 Y 7.48 5.00 0.00 3.06 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 7 K 9.91 4.68 0.00 1.77 1.67 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.36 7.81 8 V 8.82 4.90 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 9 A 9.02 4.92 0.13 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 0.00 0.00 0.00 0.00 0.00 10 I 8.47 5.02 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.65 0.97 0.00 0.00 11 L 9.10 5.28 0.00 1.86 1.60 0.80 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 12 T 9.00 4.89 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 1.23 0.00 0.00 13 V 8.58 4.74 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 0.79 0.00 0.00 0.92 0.00 0.00 14 S 8.71 4.98 0.00 3.95 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 15 D 9.26 4.41 0.00 2.67 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 16 T 7.89 3.84 4.24 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 1.21 0.00 0.00 17 V 7.83 3.77 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 1.09 0.00 0.00 0.97 0.00 0.00 18 S 8.13 4.09 0.00 3.95 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 19 A 7.68 4.43 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.10 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 21 A 7.92 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.39 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 23 P 0.00 4.56 0.00 2.19 2.08 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 24 D 8.35 4.70 0.00 2.73 2.61 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 25 R 8.51 4.52 0.00 1.83 1.95 0.00 3.24 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 26 S 8.10 4.60 0.00 4.01 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 27 G 10.34 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.28 0.00 2.28 2.34 0.00 3.54 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 29 R 7.94 3.89 0.00 1.97 2.02 0.00 3.30 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.76 0.00 30 A 7.96 3.97 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 31 V 7.89 3.51 2.24 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 0.98 0.00 0.00 0.98 0.00 0.00 32 S 8.16 4.13 0.00 3.94 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 33 V 7.85 3.59 2.24 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 0.86 0.00 0.00 0.99 0.00 0.00 34 V 8.06 3.73 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 0.94 0.00 0.00 0.97 0.00 0.00 35 D 8.10 4.31 0.00 2.91 2.71 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 36 S 8.23 4.20 0.00 3.83 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.21 4.66 0.00 3.96 3.84 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 38 S 7.90 4.09 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.45 4.00 0.00 2.08 1.88 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 2.40 2.43 0.00 40 K 7.95 3.40 0.00 1.80 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 41 L 7.94 4.20 0.00 1.90 1.76 0.92 1.04 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 42 G 8.86 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 0.00 0.00 0.00 43 G 10.33 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 0.00 0.00 0.00 44 A 8.41 4.92 1.36 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 45 K 8.95 4.66 0.00 1.77 1.58 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.38 7.81 46 V 7.66 4.53 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 0.75 0.00 0.00 0.91 0.00 0.00 47 V 8.45 4.45 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 0.67 0.00 0.00 0.81 0.00 0.00 48 A 7.25 4.62 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 49 T 8.67 5.79 4.41 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 1.22 0.00 0.00 50 A 8.57 4.80 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.91 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 0.86 0.00 0.00 0.96 0.00 0.00 52 V 8.48 4.69 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 0.64 0.00 0.00 0.87 0.00 0.00 53 P 0.00 4.71 0.00 2.06 2.07 0.00 3.72 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 1.96 1.98 0.00 54 D 9.12 4.70 0.00 2.86 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 55 E 7.54 4.67 0.00 1.92 1.76 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 2.27 2.35 0.00 56 V 8.43 3.60 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 0.84 0.00 0.00 0.91 0.00 0.00 57 E 8.18 3.95 0.00 1.94 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 2.38 2.34 0.00 58 R 7.85 3.91 0.00 1.93 1.92 0.00 3.24 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 59 I 7.57 3.71 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.86 0.00 0.00 60 K 8.57 3.86 0.00 1.94 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.61 7.81 61 D 7.97 4.30 0.00 2.75 2.64 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 62 I 7.12 3.23 1.38 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.41 -0.80 0.00 0.00 63 L 7.69 4.03 0.00 1.79 1.72 0.91 0.86 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 64 Q 8.19 3.94 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 65 K 8.61 3.90 0.00 1.79 1.90 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.76 1.58 7.81 66 W 8.64 4.64 0.00 3.39 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 67 S 8.03 4.32 0.00 4.14 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 68 D 8.40 4.46 0.00 2.64 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 69 V 7.84 4.05 2.31 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 0.82 0.00 0.00 0.96 0.00 0.00 70 D 8.17 4.47 0.00 2.92 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 71 E 7.32 3.92 0.00 2.21 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 0.00 2.28 2.24 0.00 *73 D 8.40 4.78 0.00 2.78 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 74 L 8.01 5.10 0.00 1.66 1.41 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.92 5.08 1.98 0.00 0.00 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 1.43 0.98 1.18 0.00 0.00 76 L 8.96 5.38 0.00 1.61 1.58 0.93 0.46 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 77 T 8.67 5.18 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 1.25 0.00 0.00 78 L 8.84 4.89 0.00 1.61 1.58 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.92 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.89 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 0.00 0.00 0.00 81 T 7.99 4.66 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 82 G 7.69 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.82 4.61 0.00 2.87 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 84 T 7.90 4.09 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 1.26 0.00 0.00 85 P 0.00 4.34 0.00 2.04 2.12 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 86 R 7.88 4.04 0.00 1.81 1.98 0.00 3.38 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 87 D 7.85 4.45 0.00 2.84 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 88 V 7.92 4.81 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 0.98 0.00 0.00 0.97 0.00 0.00 89 T 8.32 3.86 4.37 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 1.21 0.00 0.00 90 P 0.00 4.36 0.00 2.14 2.20 0.00 3.52 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 91 E 8.17 3.92 0.00 2.03 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 2.37 2.41 0.00 92 A 7.85 4.01 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 93 T 8.44 3.95 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 1.25 0.00 0.00 94 K 8.21 4.09 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 95 K 7.77 4.20 0.00 1.84 1.85 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 96 V 7.51 4.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 97 I 7.61 4.13 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.53 0.94 0.00 0.00 98 E 9.51 4.59 0.00 1.86 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 2.24 2.26 0.00 99 R 7.69 4.62 0.00 1.71 1.78 0.00 3.12 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 100 E 8.97 4.48 0.00 1.86 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 2.32 2.31 0.00 101 T 7.77 4.66 4.25 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 1.21 0.00 0.00 102 P 0.00 4.52 0.00 2.23 2.20 0.00 3.61 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 2.13 2.17 0.00 103 G 8.08 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.05 0.00 1.68 1.77 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.92 4.16 0.00 1.80 1.77 0.95 0.79 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 0.00 106 F 8.45 4.18 0.00 3.20 3.30 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 0.00 107 V 8.22 3.98 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 1.00 0.00 0.00 1.05 0.00 0.00 *110 Q 8.00 4.07 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 111 E 8.16 4.08 0.00 2.05 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 2.52 2.49 0.00 112 S 8.03 4.37 0.00 4.05 4.13 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 0.00 0.00 0.00 113 L 7.32 4.37 0.00 1.87 1.72 0.84 0.82 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 0.00 114 K 8.18 4.21 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 115 I 7.48 3.98 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.48 0.93 0.00 0.00 116 T 7.37 4.64 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 1.30 0.00 0.00 117 P 0.00 4.26 0.00 1.74 1.97 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 118 F 8.21 4.07 0.00 3.03 3.11 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 0.00 119 A 7.70 4.23 1.39 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 0.00 0.00 0.00 *121 L 7.64 4.20 0.00 1.74 1.39 0.74 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.12 4.40 0.00 3.89 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 0.00 123 R 9.36 4.73 0.00 1.64 1.88 0.00 2.95 0.00 0.00 2.69 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 124 S 7.85 4.31 0.00 3.79 3.84 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 0.00 125 A 8.25 4.89 1.23 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 0.00 0.00 0.00 126 A 7.46 4.76 1.25 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 0.00 0.00 127 G 7.79 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 0.00 0.00 0.00 128 I 8.20 5.14 1.87 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 1.11 0.95 0.97 0.00 0.00 129 R 9.04 4.92 0.00 1.91 1.76 0.00 3.51 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 1.53 1.56 0.00 130 G 9.49 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 0.00 0.00 0.00 131 S 9.12 4.73 0.00 3.97 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 0.00 132 T 8.20 4.71 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 133 L 8.67 4.61 0.00 1.76 1.64 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.93 5.03 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.95 0.00 0.00 135 I 8.56 4.86 1.89 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 1.24 0.97 0.93 0.00 0.00 136 N 8.58 5.55 0.00 2.83 2.78 0.00 0.00 6.94 8.08 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 *138 P 0.00 4.22 0.00 2.08 2.04 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 139 G 8.76 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 0.00 0.00 0.00 140 N 8.11 4.40 0.00 2.76 2.76 0.00 0.00 7.17 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 0.00 141 P 0.00 4.27 0.00 2.04 2.12 0.00 3.66 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 2.02 2.11 0.00 142 N 8.11 4.52 0.00 2.75 2.86 0.00 0.00 7.02 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 0.00 143 A 7.74 3.96 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 0.00 144 V 7.81 3.60 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 0.90 0.00 0.00 0.94 0.00 0.00 145 A 7.73 4.14 1.36 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 0.00 146 E 8.17 4.15 0.00 2.06 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 2.34 2.45 0.00 147 C 8.37 4.26 0.00 3.00 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 *149 E 8.15 4.22 0.00 2.06 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 2.20 2.33 0.00 150 A 7.69 4.17 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 0.00 151 L 7.87 4.24 0.00 1.74 1.72 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.97 4.10 0.00 1.62 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.45 0.00 2.07 2.10 0.00 3.81 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 2.04 2.15 0.00 154 A 8.51 4.69 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 0.00 155 L 7.92 4.14 0.00 1.92 1.64 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.97 3.85 0.00 2.03 1.78 0.00 1.97 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.59 7.81 157 H 8.28 4.17 0.00 3.28 3.31 0.00 5.93 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.11 3.91 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 0.00 159 L 8.16 3.90 0.00 1.01 0.84 0.40 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.90 4.04 0.00 1.98 2.02 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.60 7.81 161 Q 8.20 4.02 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 *162 I 7.21 3.97 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.