NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4287 8.3049 120.3100 54.6698 34.2225 175.2144 2 K 4.1685 7.8816 113.8396 57.2745 34.2819 174.8875 3 K 4.0738 8.1530 118.9282 55.6925 33.6856 175.9869 4 A 4.7218 8.2337 126.1616 50.8529 21.0213 174.8130 5 T 4.7142 7.7829 110.3301 62.1510 74.4240 173.7155 6 C 4.6233 6.7862 119.0033 57.2547 31.3242 174.1852 7 L 4.7461 6.9346 130.7014 55.5625 41.2145 174.3607 8 T 4.5781 6.6751 111.3216 59.3728 72.0146 173.8649 9 D 4.1157 8.3757 123.1998 56.9788 40.8462 178.6218 10 D 4.3985 8.1798 118.9424 57.2886 41.0531 177.9331 11 Q 4.0431 8.0002 118.4735 59.2727 29.2331 178.2141 12 R 4.2170 7.6612 118.7860 59.2237 30.2623 178.7314 13 W 4.8426 8.6017 128.0633 60.7693 30.4888 178.1208 14 Q 4.0194 8.1790 117.5974 59.2972 28.0576 178.4195 15 S 4.2083 8.0901 116.2059 61.7440 62.8433 177.3601 16 V 3.3938 7.8801 120.2865 66.0542 31.2263 178.0276 17 L 3.8349 7.3675 116.4312 57.5146 41.4263 179.0315 18 A 4.0711 8.0067 119.9729 52.4427 18.4166 177.6057 19 R 3.5950 7.6173 115.4385 56.9902 28.7464 175.1537 20 D 4.3090 7.4759 116.1272 53.4095 40.8228 175.1115 21 P 5.0718 0.0000 0.0000 64.2442 31.5667 176.3302 22 N 4.7991 7.7786 115.1454 53.6380 38.7165 174.8105 23 A 4.5513 7.4924 119.3179 51.8998 19.1610 177.1890 24 D 4.5589 8.0095 120.8984 57.2745 37.7048 175.4194 25 G 3.8406 8.7798 112.3185 45.5185 0.0000 172.7391 26 E 4.0236 8.5601 121.3687 56.9591 29.4247 176.9525 27 F 4.9275 5.7445 110.9065 56.5290 42.5755 174.3087 28 V 4.4029 9.1993 123.3242 62.2372 33.2611 174.5696 29 F 5.6644 9.3152 126.1218 55.5064 40.6244 174.5002 30 A 4.8422 8.5063 126.6292 51.0547 20.2913 175.6729 31 V 4.5031 9.6649 124.3443 61.6732 31.5502 177.0071 32 R 4.2912 8.9130 127.2268 59.0082 30.7024 178.8162 33 T 4.2140 8.0882 106.8118 64.1362 68.8403 174.7650 34 T 4.3241 7.5869 116.8132 62.7555 70.5427 174.7853 35 G 3.6821 8.8226 109.6567 46.0712 0.0000 172.3386 36 I 5.1475 7.8760 112.3754 59.0287 41.8388 172.9628 37 F 6.3000 8.7816 116.4442 55.3931 41.5120 173.3891 *39 R 4.4453 8.3686 116.9041 55.6136 30.7707 174.2112 40 P 4.8670 0.0000 0.0000 66.2827 32.1610 178.4078 41 S 4.0595 8.4657 112.8318 58.5319 60.4236 175.3478 42 C 3.8987 5.7800 117.0026 59.1700 32.4519 170.9037 43 R 4.1221 7.5945 112.8140 55.2192 29.5194 174.3565 44 A 4.1978 7.9789 121.5762 52.1234 19.6565 178.7100 45 R 4.1614 8.2974 118.8524 56.7563 28.5500 176.8481 46 H 4.6504 7.5495 126.7379 53.8745 29.9803 173.4708 47 A 4.8315 7.8962 123.9881 51.3807 21.2280 177.1846 48 L 4.3679 7.8557 123.0015 54.8261 42.4445 178.4148 49 R 3.5444 8.6439 119.7257 58.6906 29.9185 176.7962 50 E 4.3857 8.0455 113.7473 56.9599 30.7704 175.7919 51 N 4.9712 7.7389 116.0494 53.1287 39.0471 174.7873 52 V 4.5675 7.6296 116.8387 60.0339 34.2550 174.6417 53 S 4.8106 9.1477 118.7989 56.7339 65.2975 172.3431 54 F 5.3046 8.2757 120.4860 56.2859 42.1624 174.1925 55 Y 4.5979 8.6720 116.3876 57.4627 42.3053 175.9176 56 A 4.0718 8.9032 124.5138 54.5486 19.0435 177.5572 57 N 5.1112 7.6877 110.6085 50.7527 44.1379 175.1375 58 A 3.4729 8.1714 121.9394 55.1564 18.3538 180.0908 59 S 3.8506 7.8348 113.3243 61.6261 62.7011 176.5992 60 E 3.8635 7.8511 119.3557 59.4384 29.6642 178.8424 61 A 2.0000 6.7228 120.0307 54.0854 18.1891 179.4135 62 L 4.1909 7.7221 120.7491 57.7828 41.9834 179.1479 63 A 4.0994 7.9878 119.2634 54.4689 18.2169 178.2663 64 A 4.5546 7.3813 117.7979 51.5645 20.1935 176.8908 65 G 3.5436 9.0467 106.7557 46.2081 0.0000 173.7769 66 F 5.0803 7.4747 117.1467 56.3794 44.2937 175.5158 67 R 4.4230 9.5312 123.2321 55.2748 31.2992 174.4135 68 P 2.9700 0.0000 0.0000 62.1857 32.7379 175.3452 69 C 4.4434 7.8073 121.2820 57.8833 33.8275 173.2926 70 K 4.2700 8.2992 131.6273 56.8970 33.7308 177.7550 71 R 3.9579 8.8542 119.8859 57.2143 27.5943 175.7586 72 C 4.6493 7.2941 111.7167 57.5078 30.4227 171.7309 73 Q 3.4124 8.3553 123.1039 56.1116 25.8803 171.9321 74 P 4.9716 0.0000 0.0000 61.8360 33.2744 175.6410 75 E 4.0927 8.7243 114.8984 59.1242 29.9312 176.7738 76 K 4.2044 7.6257 118.1982 55.3729 33.2419 175.0249 77 A 4.1813 7.8798 127.8829 52.0539 19.3113 176.1773 78 N 4.8488 7.7406 111.5352 50.8963 40.7365 175.5257 79 A 4.1155 8.7504 126.6264 54.6816 18.7477 177.4145 80 Q 4.4635 7.7355 114.9606 54.0183 29.9378 173.6882 81 Q 4.5458 8.3397 119.9840 53.6423 33.1102 174.8944 82 H 4.8011 8.6646 118.2955 56.8638 30.1417 176.6172 83 R 3.8520 7.3544 120.7512 59.2335 30.1552 178.1769 84 L 3.9914 7.9006 119.9883 57.9411 41.9103 178.3363 85 D 4.3834 8.0385 117.8620 56.7760 41.2150 177.9497 86 K 3.9688 8.0247 120.2436 59.4846 32.3315 178.7361 87 I 4.0002 7.6464 113.5384 64.6724 37.1691 178.1428 88 T 3.9399 7.9096 116.8437 66.7521 68.2005 176.1220 89 H 4.2741 8.1778 119.7611 58.8632 29.9143 177.3396 90 A 3.9225 8.1086 122.9369 55.1430 18.0755 178.9470 91 C 4.0129 8.4002 116.4298 62.9882 31.7070 175.8966 92 R 4.2675 7.5443 119.4421 58.0231 29.6875 178.4134 93 L 4.0638 7.4434 119.9550 56.9132 42.3003 178.2461 94 L 4.6917 7.5523 118.4318 55.0382 43.1464 177.1768 95 E 4.2254 7.7624 120.5126 55.5670 28.2064 173.1340 96 Q 4.4225 7.0486 118.3900 54.0892 32.4917 175.2596 97 E 3.8064 8.4855 117.4500 58.9093 29.9062 177.2430 98 T 4.0819 7.5500 115.0375 62.0034 69.1800 172.3343 99 P 4.2961 0.0000 0.0000 62.8373 31.2430 176.3468 100 V 3.9844 8.0867 123.3971 61.9338 32.5378 175.3510 101 T 4.3949 7.9751 113.5467 60.8340 70.4456 175.9884 102 L 3.8490 8.4709 123.5885 58.0984 41.8530 179.6242 103 E 3.9794 8.1964 116.7022 59.1783 28.9592 178.6451 104 A 3.9676 7.4559 122.0841 55.3266 18.5388 179.6398 105 L 3.9134 7.8053 116.5736 57.7533 41.5541 179.6200 106 A 4.0520 7.8013 120.3913 54.7241 18.1082 179.0135 107 D 4.2407 8.1275 116.6304 57.8454 41.4403 178.3320 108 Q 4.1173 7.5498 116.6835 58.6887 28.7770 178.3172 109 V 3.7246 7.6585 117.3112 62.8357 32.1228 175.2817 110 A 3.6652 8.3272 120.3234 53.4419 16.0287 175.9301 111 M 4.8388 7.6401 118.2378 55.0605 36.8999 175.1365 112 S 4.7281 8.2792 114.9697 57.0497 64.7138 173.9548 113 P 4.3558 0.0000 0.0000 65.3027 30.8690 179.0320 114 F 4.1201 8.1569 116.9207 60.4789 38.8673 176.9815 115 H 4.1461 8.3975 117.8604 59.1402 29.7141 177.0448 116 L 4.0062 7.9919 121.6273 58.4998 41.9756 178.3393 117 H 4.1733 8.1466 115.6515 59.0769 28.6992 177.8848 118 R 3.9847 8.1881 119.6207 59.3059 29.8326 178.8907 119 L 4.0071 8.3204 120.2615 58.2987 42.0509 178.8606 120 F 4.2029 8.8814 121.0409 61.1620 39.3406 177.2796 121 K 4.0851 9.0201 118.3523 58.9991 31.7022 179.0773 122 A 4.1260 8.5908 120.5886 54.4065 18.3429 178.6236 123 T 4.2531 7.4141 112.6041 65.9346 69.6686 176.8504 124 T 4.0980 7.9186 116.8134 64.6670 69.2376 175.9903 125 G 4.1669 8.9963 106.3207 45.1134 0.0000 172.4348 126 M 4.7185 7.7145 116.1161 53.0016 36.5079 175.0146 127 T 4.6643 8.0109 110.3214 59.5216 72.6856 173.4659 128 P 4.4413 0.0000 0.0000 65.9222 31.2227 179.1530 129 K 3.9845 8.0892 116.3955 59.4782 32.1713 179.1337 130 A 3.9681 7.9660 120.5395 54.8706 17.8422 179.6501 131 W 4.4218 8.6978 117.9229 60.1128 29.1069 178.5789 132 Q 4.5124 8.8981 119.9068 59.5792 28.5579 178.3730 133 Q 3.6892 8.3812 118.5418 58.0439 28.5353 178.4033 134 A 3.9739 7.7368 122.1691 54.9549 18.4232 179.6964 135 W 4.3068 7.9008 114.2717 59.4736 28.2711 178.6673 136 R 3.1289 6.1407 119.0660 58.9448 29.4351 178.3710 137 A 3.8672 8.0957 120.8712 55.1373 18.2806 179.5746 138 R 3.9285 7.8198 117.4301 59.4040 29.7494 178.6611 139 R 4.0689 8.4395 118.9364 59.0167 29.8635 178.2611 140 L 4.1518 8.0025 118.3852 57.1713 41.8765 178.7959 141 R 4.0717 7.9110 118.4587 59.0973 30.0946 177.9962 142 E 4.1010 8.0527 116.8910 58.1126 30.2097 177.4778 143 S 4.2510 7.1510 113.1242 57.5408 63.0239 174.1486 144 L 4.2026 8.2732 126.6422 53.7757 40.2317 176.3135 145 A 4.1188 8.2157 126.6116 51.7304 19.2036 177.4257 146 K 4.1415 8.5200 121.7972 56.5469 32.2949 176.3221 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 M 8.30 4.43 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 2 K 7.88 4.17 0.00 1.72 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.49 7.81 3 K 8.15 4.07 0.00 1.59 1.58 0.00 1.17 0.00 0.00 1.42 0.00 0.00 2.83 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 1.14 7.81 4 A 8.23 4.72 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 5 T 7.78 4.71 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 1.10 0.00 0.00 6 C 6.79 4.62 0.00 2.79 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 7 L 6.93 4.75 0.00 1.69 1.71 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 8 T 6.68 4.58 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 1.17 0.00 0.00 9 D 8.38 4.12 0.00 2.69 2.58 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 10 D 8.18 4.40 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.00 4.04 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 12 R 7.66 4.22 0.00 1.65 1.00 0.00 2.41 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 13 W 8.60 4.84 0.00 3.71 3.23 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 14 Q 8.18 4.02 0.00 2.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 15 S 8.09 4.21 0.00 3.94 4.02 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 0.00 0.00 0.00 16 V 7.88 3.39 1.65 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 0.38 0.00 0.00 1.43 0.00 0.00 17 L 7.37 3.83 0.00 1.73 1.65 0.80 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.01 4.07 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 19 R 7.62 3.60 0.00 1.90 1.94 0.00 3.39 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 20 D 7.48 4.31 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.07 0.00 2.20 2.14 0.00 3.38 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 22 N 7.78 4.80 0.00 2.98 2.86 0.00 0.00 6.84 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 23 A 7.49 4.55 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 24 D 8.01 4.56 0.00 2.80 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 25 G 8.78 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 0.00 0.00 0.00 26 E 8.56 4.02 0.00 1.73 1.12 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 2.28 2.22 0.00 27 F 5.74 4.93 0.00 3.08 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 28 V 9.20 4.40 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 1.23 0.00 0.00 1.03 0.00 0.00 29 F 9.32 5.66 0.00 3.09 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 30 A 8.51 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.66 4.50 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 1.10 0.00 0.00 1.02 0.00 0.00 32 R 8.91 4.29 0.00 2.05 2.05 0.00 3.47 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 33 T 8.09 4.21 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 1.26 0.00 0.00 34 T 7.59 4.32 4.21 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 1.24 0.00 0.00 35 G 8.82 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 36 I 7.88 5.15 1.85 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 1.40 1.00 0.89 0.00 0.00 37 F 8.78 6.30 0.00 2.92 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 *39 R 8.37 4.45 0.00 1.94 2.13 0.00 3.49 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 40 P 0.00 4.87 0.00 2.12 2.21 0.00 4.06 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 2.16 1.97 0.00 41 S 8.47 4.06 0.00 3.89 3.65 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 0.00 0.00 0.00 0.00 42 C 5.78 3.90 0.00 3.26 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 43 R 7.59 4.12 0.00 1.69 1.85 0.00 2.96 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 44 A 7.98 4.20 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 45 R 8.30 4.16 0.00 1.93 1.98 0.00 3.06 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 46 H 7.55 4.65 0.00 3.08 3.24 0.00 5.83 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 47 A 7.90 4.83 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.86 4.37 0.00 1.81 1.68 0.97 0.86 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 49 R 8.64 3.54 0.00 1.70 1.88 0.00 3.10 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.00 50 E 8.05 4.39 0.00 2.09 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 2.20 2.32 0.00 51 N 7.74 4.97 0.00 2.90 2.92 0.00 0.00 6.79 7.64 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 52 V 7.63 4.57 2.33 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 0.61 0.00 0.00 1.10 0.00 0.00 53 S 9.15 4.81 0.00 4.07 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 54 F 8.28 5.30 0.00 2.78 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 55 Y 8.67 4.60 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.90 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.69 5.11 0.00 2.73 2.67 0.00 0.00 7.18 7.55 0.00 0.00 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 A 8.17 3.47 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 0.00 0.00 0.00 0.00 0.00 59 S 7.83 3.85 0.00 3.82 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 60 E 7.85 3.86 0.00 2.07 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 0.00 2.32 2.39 0.00 61 A 6.72 2.00 -0.02 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 0.00 0.00 0.00 0.00 0.00 62 L 7.72 4.19 0.00 1.13 1.45 1.19 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.99 4.10 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 64 A 7.38 4.55 1.58 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 65 G 9.05 3.54 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 0.00 0.00 0.00 0.00 66 F 7.47 5.08 0.00 3.21 3.23 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 67 R 9.53 4.42 0.00 1.73 1.77 0.00 3.10 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 68 P 0.00 2.97 0.00 1.83 1.83 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 69 C 7.81 4.44 0.00 2.84 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 70 K 8.30 4.27 0.00 1.79 1.67 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.44 7.81 71 R 8.85 3.96 0.00 1.98 2.04 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 72 C 7.29 4.65 0.00 3.29 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 73 Q 8.36 3.41 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 74 P 0.00 4.97 0.00 2.21 2.13 0.00 3.77 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 2.00 1.97 0.00 75 E 8.72 4.09 0.00 2.12 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 0.00 2.30 2.35 0.00 76 K 7.63 4.20 0.00 1.73 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.45 7.81 77 A 7.88 4.18 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 78 N 7.74 4.85 0.00 2.70 2.76 0.00 0.00 6.85 7.35 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 79 A 8.75 4.12 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 80 Q 7.74 4.46 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 81 Q 8.34 4.55 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 82 H 8.66 4.80 0.00 3.34 3.51 0.00 5.46 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.35 3.85 0.00 1.73 1.92 0.00 3.18 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 84 L 7.90 3.99 0.00 1.88 1.64 0.96 1.49 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 85 D 8.04 4.38 0.00 3.02 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 86 K 8.02 3.97 0.00 2.19 1.85 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.54 7.81 87 I 7.65 4.00 2.19 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 1.55 1.04 1.25 0.00 0.00 88 T 7.91 3.94 4.43 0.00 0.00 0.00 0.00 0.00 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 89 H 8.18 4.27 0.00 3.36 3.38 0.00 5.60 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 90 A 8.11 3.92 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 91 C 8.40 4.01 0.00 3.34 3.02 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 0.00 0.00 0.00 92 R 7.54 4.27 0.00 1.89 1.92 0.00 3.15 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.45 0.00 93 L 7.44 4.06 0.00 1.82 1.64 0.83 1.45 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 94 L 7.55 4.69 0.00 1.76 1.64 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.76 4.23 0.00 2.09 1.81 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 2.14 2.06 0.00 96 Q 7.05 4.42 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.10 2.44 0.00 97 E 8.49 3.81 0.00 1.81 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 2.23 2.22 0.00 98 T 7.55 4.08 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 99 P 0.00 4.30 0.00 2.21 2.16 0.00 3.76 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 2.00 1.99 0.00 100 V 8.09 3.98 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 0.95 0.00 0.00 101 T 7.98 4.39 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 1.20 0.00 0.00 102 L 8.47 3.85 0.00 1.68 1.70 0.91 0.79 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 0.00 103 E 8.20 3.98 0.00 2.17 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 0.00 2.34 2.37 0.00 104 A 7.46 3.97 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 0.00 105 L 7.81 3.91 0.00 1.79 1.66 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.80 4.05 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 0.00 107 D 8.13 4.24 0.00 2.74 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.55 4.12 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 109 V 7.66 3.72 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 0.90 0.00 0.00 0.97 0.00 0.00 110 A 8.33 3.67 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 0.00 111 M 7.64 4.84 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 112 S 8.28 4.73 0.00 4.03 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 0.00 113 P 0.00 4.36 0.00 1.96 1.99 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 2.06 2.15 0.00 114 F 8.16 4.12 0.00 3.12 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 0.00 115 H 8.40 4.15 0.00 3.48 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.99 4.01 0.00 1.81 1.65 0.89 0.88 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 0.00 117 H 8.15 4.17 0.00 3.47 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.19 3.98 0.00 2.18 2.04 0.00 3.41 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 119 L 8.32 4.01 0.00 2.13 1.83 1.03 1.31 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 0.00 120 F 8.88 4.20 0.00 3.37 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 0.00 121 K 9.02 4.09 0.00 2.04 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.44 7.81 122 A 8.59 4.13 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 0.00 123 T 7.41 4.25 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 1.18 0.00 0.00 124 T 7.92 4.10 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 1.29 0.00 0.00 125 G 9.00 4.17 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 0.00 0.00 0.00 126 M 7.71 4.72 0.00 1.69 1.57 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 127 T 8.01 4.66 4.30 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 1.22 0.00 0.00 128 P 0.00 4.44 0.00 2.24 2.22 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 129 K 8.09 3.98 0.00 1.83 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 130 A 7.97 3.97 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 0.00 131 W 8.70 4.42 0.00 3.67 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 0.00 132 Q 8.90 4.51 0.00 2.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.76 0.00 133 Q 8.38 3.69 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 134 A 7.74 3.97 1.61 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 0.00 135 W 7.90 4.31 0.00 3.66 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 6.14 3.13 0.00 0.67 1.32 0.00 2.93 0.00 0.00 2.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.00 137 A 8.10 3.87 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 0.00 138 R 7.82 3.93 0.00 2.17 2.03 0.00 3.17 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 1.68 0.00 139 R 8.44 4.07 0.00 2.44 2.11 0.00 3.32 0.00 0.00 3.42 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 140 L 8.00 4.15 0.00 1.68 1.69 0.87 1.15 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 0.00 141 R 7.91 4.07 0.00 1.94 1.97 0.00 3.25 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 142 E 8.05 4.10 0.00 2.18 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 2.48 2.49 0.00 143 S 7.15 4.25 0.00 4.15 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 0.00 144 L 8.27 4.20 0.00 1.68 1.64 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.22 4.12 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 0.00 146 K 8.52 4.14 0.00 1.73 1.69 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.