NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2673 8.1593 117.3739 63.5666 69.8104 173.3920 2 S 4.4651 8.2891 120.4876 55.7567 65.3559 173.2326 3 K 4.0461 9.3603 122.0774 59.6505 32.9018 179.7840 4 K 3.9143 8.0615 118.2496 59.4856 31.8338 178.8214 5 K 4.1519 7.8128 117.5888 58.2298 32.1473 177.8349 6 R 4.4872 7.4955 116.1727 56.6121 30.7860 177.5066 7 Q 4.1479 7.8916 119.9037 57.4180 28.4179 175.9918 8 R 3.9048 7.6314 118.6586 58.9962 30.1565 175.8482 9 G 4.0991 8.9969 111.7978 45.8963 0.0000 174.2375 10 S 4.1937 8.2553 113.0494 58.2217 63.1671 173.6505 11 R 4.0490 7.6679 123.3810 57.6790 29.4811 176.4888 12 T 4.2061 7.5588 105.4168 61.7213 69.8701 174.1520 13 H 4.8030 8.2988 117.8894 56.0439 26.8163 175.4939 14 G 3.8972 8.3496 103.0972 46.2713 0.0000 174.7580 15 G 3.8626 8.2530 107.0098 44.9525 0.0000 176.3930 16 G 3.8964 7.9016 106.5240 44.7620 0.0000 173.5625 17 S 4.1463 8.6579 116.4425 58.9617 62.6659 175.0721 18 H 4.4733 8.8346 120.8992 57.0473 28.3829 175.8181 19 K 4.1019 7.7356 119.2089 56.9617 31.7186 177.4981 20 N 4.4144 7.6140 117.3500 55.6068 39.2137 177.1599 21 R 4.3503 7.4437 120.6156 56.5937 28.7356 177.6286 22 R 4.5948 7.2908 122.8260 56.3208 31.0594 180.1288 23 G 4.0712 8.4841 119.5328 45.3383 0.0000 173.0690 24 A 4.3933 8.6005 122.1604 53.6762 18.5154 179.7835 25 G 3.5587 7.9841 104.6833 47.5755 0.0000 174.6172 26 H 4.6972 7.9369 117.7424 57.1611 29.9940 175.5203 27 R 4.4168 7.3924 116.8280 56.0619 30.9991 175.8164 28 G 3.8997 8.6429 104.9782 46.5572 0.0000 174.2811 29 G 4.1405 8.4122 106.6860 43.8400 0.0000 174.8306 30 R 3.9238 8.8704 119.7201 57.7752 31.6296 176.6383 31 G 3.7530 8.2210 111.0348 47.4344 0.0000 173.2775 32 D 4.7485 8.6808 123.2966 53.7393 40.6548 175.5155 33 A 4.1279 7.5389 122.7953 53.9040 18.7656 179.2008 34 G 3.7996 8.9634 109.8715 45.2544 0.0000 175.0725 35 R 4.0149 7.9975 115.8317 56.9864 29.2214 177.1977 36 D 5.0286 7.8703 115.6647 52.7300 41.1011 175.3250 37 K 4.4981 9.2885 118.2116 57.2898 32.1940 178.1762 38 H 4.5246 9.8029 125.7967 58.3368 29.3338 175.8344 39 E 4.7624 7.4375 121.1559 55.7360 30.6626 177.9459 40 F 4.9355 8.2473 115.2332 59.2676 38.6158 175.2439 41 H 3.4521 6.4814 116.9976 57.3794 28.7973 174.3877 42 N 4.2342 8.7811 120.2808 54.8881 35.8782 173.9178 43 H 4.9162 7.6977 111.9680 53.6144 32.5815 174.0301 44 E 4.1550 8.7357 123.1310 55.2947 29.9921 175.2679 45 P 4.4056 0.0000 0.0000 62.8409 31.6815 176.0402 46 L 4.1509 8.0449 119.1473 54.9273 42.2676 175.7864 47 G 4.2585 8.0978 105.4119 43.5883 0.0000 173.4760 48 K 4.5754 8.0999 119.6835 54.9282 34.0154 176.6115 49 S 4.3773 8.4548 115.3866 58.1581 65.3290 175.6519 50 G 4.0698 9.1381 118.0993 45.2284 0.0000 171.4622 51 F 4.9897 8.5088 112.6354 55.6532 40.9394 173.1600 52 K 4.2725 8.2809 119.0137 54.4548 35.1798 176.1811 53 R 4.5643 7.9196 120.4692 53.5277 31.9628 174.7228 54 P 4.2125 0.0000 0.0000 63.4399 31.1481 176.9466 55 Q 3.9274 8.9756 121.5062 59.0253 28.7681 178.6553 56 K 4.4607 7.9431 114.0014 56.7989 32.6547 176.9645 57 V 4.3048 8.1398 116.9312 62.9345 32.1831 174.9897 58 Q 4.5606 7.5395 116.5863 54.8929 30.0726 174.7155 59 E 4.5100 8.5467 121.0618 54.4129 31.8469 174.9738 60 E 4.4461 8.3920 123.8149 54.2660 31.6243 174.2856 61 A 4.0062 8.2056 129.2408 51.0675 19.9916 176.2980 62 A 4.3809 9.1506 125.5636 51.2583 19.7617 176.9839 63 T 5.3859 8.0292 111.9956 60.5378 71.6701 173.8307 64 I 4.2313 7.7029 118.0980 60.3958 41.3715 172.5741 65 D 5.2419 8.4191 128.1340 53.3493 42.5756 177.8230 66 V 3.6178 8.5953 115.7435 64.8483 31.5822 178.7905 67 R 3.9360 7.8687 117.7315 59.6655 29.4838 178.1670 68 E 3.9129 7.9888 118.0089 59.1606 30.1245 178.5051 69 I 3.8087 7.6379 119.3051 64.4851 36.8276 177.6621 70 D 4.3119 8.6131 119.0238 57.5027 40.8978 178.0033 71 E 4.2142 8.2016 116.9243 58.0170 29.7666 177.0341 72 N 5.0536 7.8686 116.5567 52.9368 40.0944 177.3675 73 V 3.3357 7.4650 112.9581 64.7088 31.7340 178.1333 74 T 4.0451 7.6397 108.0226 64.7120 68.5762 175.5108 75 L 4.0865 7.7931 120.5975 56.9759 41.9321 177.1953 76 L 4.3825 7.5367 119.5620 53.7747 41.3615 178.3242 77 A 4.0222 8.0863 122.3634 55.2280 18.7288 178.0289 78 A 4.5150 7.7394 117.7485 52.0194 19.0898 177.2544 79 D 4.5819 8.2409 119.5170 56.1495 45.6118 176.0800 80 D 4.2297 7.5530 121.8252 49.3708 41.2692 175.4210 81 V 4.5560 8.3087 121.3568 61.0629 34.1590 174.7613 82 A 4.1636 8.2217 133.3573 51.6374 20.6788 177.4223 83 E 3.8193 8.9879 110.1729 59.7893 30.0797 174.2778 *89 F 4.6248 7.7456 114.2433 57.9364 41.1052 174.1333 90 R 5.1581 8.7971 120.3746 54.7857 32.3947 174.7483 91 V 4.4988 8.6271 126.0095 59.8642 34.9540 174.6645 92 D 4.7781 8.7274 123.8803 52.9587 40.9329 176.3752 93 V 3.5894 8.5501 128.3637 66.3918 31.5770 178.3575 94 R 3.4932 7.7090 117.0893 59.1858 29.8914 177.6969 95 D 4.6489 8.1405 116.2189 54.6625 41.2408 177.7319 96 V 4.0399 8.1425 119.5810 63.6621 32.7025 176.2964 97 V 3.6292 7.2632 117.0076 62.9499 31.8626 175.3812 98 E 4.2176 8.5769 126.0556 56.9548 30.4417 176.8633 99 E 4.0089 9.0437 116.8800 57.1654 26.9334 175.5848 100 A 4.4623 7.5570 119.3294 52.8568 18.4437 178.0054 101 D 4.7531 7.9753 117.9376 57.0243 42.7148 178.3532 102 D 4.4353 7.9905 116.0102 53.3554 38.6463 174.9219 103 A 4.8624 7.5949 122.7237 50.7058 21.0258 178.3493 104 D 4.4494 8.7209 121.5793 56.4934 41.7283 175.5889 105 Y 4.6548 6.4145 112.9062 56.7643 41.7788 172.4135 106 V 4.8082 8.8587 120.8939 61.1863 33.9035 174.3255 107 K 4.8084 9.2291 128.8596 54.5667 35.2871 174.5619 108 V 4.5992 8.2659 127.3901 61.6220 33.1459 174.6921 109 L 4.5912 9.3117 128.4776 52.5648 44.4185 176.8128 110 G 4.4578 8.2552 107.8880 45.6817 0.0000 173.7180 111 A 4.5641 8.0644 121.6369 51.7227 20.8922 178.3816 112 G 4.1268 8.8177 108.3917 44.5922 0.0000 172.2747 113 Q 4.4938 8.1025 116.8510 54.1774 30.9565 175.7249 114 V 4.3208 7.9262 117.6483 61.8006 32.6930 174.4743 115 R 4.4429 8.7035 125.2371 56.1789 29.9554 175.7477 116 H 5.1995 7.7241 114.3727 54.0980 33.5311 172.3346 117 E 4.9018 8.8242 117.7155 54.8364 30.5223 175.5907 118 L 5.0946 8.5924 124.1609 53.0372 45.8149 175.8030 119 T 4.9923 8.9094 119.8762 62.1536 70.4057 172.8878 120 L 5.2248 8.7074 127.2558 53.0536 44.4749 175.9058 121 I 5.8311 8.6014 123.5475 58.9143 40.0908 174.6505 122 A 4.7272 8.6063 127.1578 50.9313 22.3059 175.9778 123 D 4.4229 8.6538 117.5762 56.7309 41.9122 176.3263 124 D 4.4662 7.1069 115.4577 53.6277 44.4092 174.1718 125 F 5.4969 9.0675 120.4682 54.9441 43.6158 173.9345 126 S 4.8003 8.6038 114.4016 56.9720 65.5352 174.6773 127 E 4.0419 9.2180 121.2253 60.1240 29.2526 179.9600 128 G 3.7285 8.2728 104.4268 47.9430 0.0000 175.2204 129 A 4.0834 7.7664 122.8958 55.0644 18.4169 179.8637 130 R 3.7645 8.1501 116.4902 59.3474 30.1965 178.7184 131 E 3.9224 8.3728 118.5023 59.7343 29.1456 179.8833 132 K 3.9136 8.1016 117.8367 59.7010 32.3063 179.7178 133 V 3.6533 7.9777 118.2781 65.6919 31.3655 177.9486 134 E 4.8190 8.1247 120.4442 58.5987 29.3501 179.1026 135 G 4.0745 8.5453 104.3897 46.8312 0.0000 173.6391 136 A 4.6038 7.6967 122.9730 51.7659 19.4771 176.9305 137 G 4.0070 8.4946 105.6344 48.7075 0.0000 173.6925 138 G 4.4814 7.9073 105.8977 43.9202 0.0000 172.4715 139 S 5.0609 8.8660 112.7505 56.4496 67.0277 173.2941 140 V 4.5694 8.1223 119.8479 61.1499 33.7993 174.1858 141 E 4.6018 9.6225 129.0002 54.4963 31.7032 174.8377 142 L 4.9404 8.4880 127.2578 54.5003 43.0042 176.4576 143 T 4.1107 8.7845 123.4607 63.7489 69.6571 175.2070 144 D 4.3368 8.7576 121.5251 57.5909 40.5252 178.7779 145 L 4.1450 7.9468 119.7015 57.9429 42.2708 178.6910 146 G 3.8145 7.5295 104.1167 45.7433 0.0000 173.7322 147 E 4.3781 8.2993 121.3903 57.1632 29.6934 176.9010 148 E 4.7892 7.9472 113.0973 56.2866 30.3733 178.2179 149 R 4.5793 7.3311 116.2065 52.2935 30.9350 176.1725 150 Q 4.2927 7.7982 121.4487 56.8771 29.2586 173.0686 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 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.29 4.47 0.00 4.05 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 3 K 9.36 4.05 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.52 7.81 4 K 8.06 3.91 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.51 7.81 5 K 7.81 4.15 0.00 1.76 2.00 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.50 4.49 0.00 1.91 1.90 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 7 Q 7.89 4.15 0.00 1.87 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.91 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 8 R 7.63 3.90 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.27 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 9 G 9.00 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 10 S 8.26 4.19 0.00 3.96 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 11 R 7.67 4.05 0.00 1.96 2.02 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.56 4.21 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 13 H 8.30 4.80 0.00 3.27 3.39 0.00 5.74 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 14 G 8.35 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.25 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.90 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.66 4.15 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.83 4.47 0.00 3.31 3.38 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.74 4.10 0.00 1.74 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.34 7.81 20 N 7.61 4.41 0.00 2.81 2.61 0.00 0.00 6.94 7.20 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 21 R 7.44 4.35 0.00 1.77 1.89 0.00 3.17 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 22 R 7.29 4.59 0.00 1.73 1.02 0.00 3.23 0.00 0.00 3.19 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 23 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 24 A 8.60 4.39 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 25 G 7.98 3.56 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 0.00 0.00 0.00 26 H 7.94 4.70 0.00 3.04 3.48 0.00 5.89 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.39 4.42 0.00 1.89 1.88 0.00 3.38 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 28 G 8.64 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.41 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 0.00 0.00 0.00 0.00 30 R 8.87 3.92 0.00 1.94 1.90 0.00 3.34 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 31 G 8.22 3.75 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 0.00 0.00 0.00 32 D 8.68 4.75 0.00 2.73 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 33 A 7.54 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.96 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 35 R 8.00 4.01 0.00 1.66 1.93 0.00 3.01 0.00 0.00 3.27 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 36 D 7.87 5.03 0.00 2.74 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 37 K 9.29 4.50 0.00 1.78 1.51 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.52 7.81 38 H 9.80 4.52 0.00 3.32 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.44 4.76 0.00 2.05 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 2.02 0.00 40 F 8.25 4.94 0.00 3.23 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 6.48 3.45 0.00 2.89 3.03 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.78 4.23 0.00 2.79 2.83 0.00 0.00 6.83 8.16 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 43 H 7.70 4.92 0.00 3.41 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.74 4.15 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.41 0.00 2.19 2.10 0.00 3.79 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 2.01 2.03 0.00 46 L 8.04 4.15 0.00 1.66 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.10 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 48 K 8.10 4.58 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.45 4.38 0.00 3.79 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 50 G 9.14 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 51 F 8.51 4.99 0.00 3.14 2.93 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 52 K 8.28 4.27 0.00 1.66 1.60 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 R 7.92 4.56 0.00 1.71 1.84 0.00 3.29 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.33 0.00 54 P 0.00 4.21 0.00 2.22 2.23 0.00 3.78 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 2.10 2.04 0.00 55 Q 8.98 3.93 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 56 K 7.94 4.46 0.00 1.86 1.88 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 8.14 4.30 2.19 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 0.85 0.00 0.00 0.94 0.00 0.00 58 Q 7.54 4.56 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.37 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 59 E 8.55 4.51 0.00 1.93 1.78 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 2.47 2.28 0.00 60 E 8.39 4.45 0.00 1.93 1.70 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 2.15 2.18 0.00 61 A 8.21 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.15 4.38 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 63 T 8.03 5.39 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 1.19 0.00 0.00 64 I 7.70 4.23 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 1.34 1.22 0.94 0.00 0.00 65 D 8.42 5.24 0.00 2.64 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 66 V 8.60 3.62 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 0.89 0.00 0.00 1.00 0.00 0.00 67 R 7.87 3.94 0.00 1.92 2.07 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 7.99 3.91 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 69 I 7.64 3.81 1.99 0.00 0.00 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 1.52 0.97 0.90 0.00 0.00 70 D 8.61 4.31 0.00 2.79 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 8.20 4.21 0.00 1.97 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 2.34 2.62 0.00 72 N 7.87 5.05 0.00 2.69 2.70 0.00 0.00 6.85 7.03 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 73 V 7.47 3.34 0.68 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 0.43 0.00 0.00 0.28 0.00 0.00 74 T 7.64 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 1.19 0.00 0.00 75 L 7.79 4.09 0.00 1.63 1.76 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.54 4.38 0.00 1.89 1.65 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.09 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.74 4.52 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 79 D 8.24 4.58 0.00 2.78 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 80 D 7.55 4.23 0.00 3.02 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 81 V 8.31 4.56 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.93 0.00 0.00 82 A 8.22 4.16 1.13 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 83 E 8.99 3.82 0.00 1.99 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 2.24 1.94 0.00 *89 F 7.75 4.62 0.00 2.98 3.08 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 90 R 8.80 5.16 0.00 1.82 1.81 0.00 3.22 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.63 4.50 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 0.79 0.00 0.00 0.95 0.00 0.00 92 D 8.73 4.78 0.00 2.73 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.55 3.59 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 0.99 0.00 0.00 94 R 7.71 3.49 0.00 2.05 2.02 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 95 D 8.14 4.65 0.00 2.75 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 96 V 8.14 4.04 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 0.81 0.00 0.00 0.94 0.00 0.00 97 V 7.26 3.63 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.58 4.22 0.00 2.06 1.83 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 2.38 2.31 0.00 99 E 9.04 4.01 0.00 2.17 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 2.26 2.23 0.00 100 A 7.56 4.46 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 0.00 101 D 7.98 4.75 0.00 2.63 2.67 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 0.00 102 D 7.99 4.44 0.00 2.80 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 0.00 103 A 7.59 4.86 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 0.00 104 D 8.72 4.45 0.00 2.51 2.46 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 Y 6.41 4.65 0.00 3.13 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 0.00 106 V 8.86 4.81 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 107 K 9.23 4.81 0.00 2.00 1.65 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.51 7.81 108 V 8.27 4.60 1.70 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 1.01 0.00 0.00 0.78 0.00 0.00 109 L 9.31 4.59 0.00 1.77 1.57 0.92 0.59 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 0.00 110 G 8.26 4.46 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 0.00 0.00 0.00 111 A 8.06 4.56 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.82 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 0.00 0.00 0.00 113 Q 8.10 4.49 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.93 4.32 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 0.95 0.00 0.00 0.95 0.00 0.00 115 R 8.70 4.44 0.00 1.61 1.79 0.00 3.11 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 116 H 7.72 5.20 0.00 2.99 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.82 4.90 0.00 2.03 2.27 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 2.30 2.29 0.00 118 L 8.59 5.09 0.00 1.63 1.62 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.91 4.99 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 1.23 0.00 0.00 120 L 8.71 5.22 0.00 1.81 1.86 1.09 0.55 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 0.00 121 I 8.60 5.83 1.94 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 1.17 0.75 1.02 0.00 0.00 122 A 8.61 4.73 0.69 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 0.00 0.00 123 D 8.65 4.42 0.00 2.76 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 0.00 124 D 7.11 4.47 0.00 2.45 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 0.00 0.00 0.00 0.00 125 F 9.07 5.50 0.00 2.84 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 0.00 126 S 8.60 4.80 0.00 3.92 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 E 9.22 4.04 0.00 2.05 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 0.00 2.42 2.43 0.00 128 G 8.27 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 0.00 0.00 0.00 129 A 7.77 4.08 1.52 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 0.00 0.00 130 R 8.15 3.76 0.00 2.02 1.92 0.00 3.16 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 131 E 8.37 3.92 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 132 K 8.10 3.91 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.72 7.81 133 V 7.98 3.65 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 1.09 0.00 0.00 1.04 0.00 0.00 134 E 8.12 4.82 0.00 2.00 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 2.27 2.33 0.00 135 G 8.55 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 0.00 136 A 7.70 4.60 1.45 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 0.00 0.00 137 G 8.49 4.01 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 0.00 0.00 0.00 138 G 7.91 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.87 5.06 0.00 3.81 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 0.00 140 V 8.12 4.57 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 -0.95 0.00 0.00 0.47 0.00 0.00 141 E 9.62 4.60 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 142 L 8.49 4.94 0.00 1.67 1.61 1.22 1.08 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 0.00 143 T 8.78 4.11 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 1.26 0.00 0.00 144 D 8.76 4.34 0.00 2.69 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 0.00 145 L 7.95 4.15 0.00 1.64 1.84 0.98 1.01 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 0.00 146 G 7.53 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.30 4.38 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 148 E 7.95 4.79 0.00 1.84 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 2.17 2.59 0.00 149 R 7.33 4.58 0.00 1.74 1.82 0.00 3.29 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.70 0.00 150 Q 7.80 4.29 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.