NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2181 8.2649 123.5860 51.5858 20.1499 176.2858 3 R 4.2032 8.0031 117.6523 57.0800 30.8789 175.0683 4 I 4.2036 8.4454 133.3948 61.0453 36.2577 177.9865 5 A 3.9795 9.0191 132.5380 55.4805 17.6810 180.2042 6 G 3.7905 8.1954 107.8351 45.7798 0.0000 174.5376 7 V 4.3931 9.5387 117.1045 62.1078 37.1478 173.7854 8 E 4.0138 8.0561 118.7230 57.4820 29.7165 177.7091 9 I 4.6623 8.0493 126.6246 60.0781 38.2495 175.8287 10 P 4.7197 0.0000 0.0000 62.9776 29.5053 176.2887 11 R 4.1433 7.5204 120.7238 57.8578 31.4802 178.0775 12 N 3.9608 8.7529 113.9365 54.7655 37.8287 174.4851 13 K 4.4487 8.4749 117.8553 55.2192 33.3826 175.9981 14 R 3.6448 7.9697 121.6320 54.7313 30.4815 177.6661 15 V 3.7638 8.0197 116.6025 63.4422 31.8819 176.7833 16 D 4.5710 7.8771 118.1577 54.0684 40.4295 177.2561 17 V 3.9173 8.0480 119.1588 63.6786 32.9482 176.8747 18 A 3.8703 7.8551 118.4767 52.8414 18.0245 177.2823 19 L 4.5916 7.4134 117.9966 56.4645 43.5762 178.9310 20 T 4.6532 7.3200 113.9796 66.1636 68.9348 174.5389 21 Y 4.8608 7.1031 119.9081 56.6691 37.0758 175.9832 22 I 4.4698 7.1295 119.6832 60.1002 41.8353 174.1734 23 Y 4.2021 8.8709 126.9531 60.6621 38.2911 175.3452 24 G 3.6245 9.4369 115.9950 45.0643 0.0000 172.7982 25 I 4.1610 7.7260 120.3693 59.7500 40.3195 174.8742 26 G 4.1625 7.8002 119.0555 45.4525 0.0000 173.9842 27 K 4.1974 8.6652 123.7340 58.3229 32.2129 177.1025 28 A 4.0177 7.7927 120.7426 55.0969 18.2407 179.4836 29 R 4.1573 7.8007 115.8848 59.4652 30.0978 178.0037 30 A 4.3400 7.7214 120.7092 53.6300 19.2481 177.6363 31 K 4.5329 8.3750 120.8238 53.9518 30.1403 174.7538 32 E 4.7268 7.6537 128.1614 56.8524 34.7736 177.6976 33 A 4.0431 7.9423 118.7309 53.6278 18.5563 178.4109 34 L 4.1119 7.5213 117.0207 57.3722 42.6341 179.0739 35 E 3.8642 8.1630 115.7102 59.6216 29.6732 179.3011 36 K 3.7445 7.4946 115.4578 57.3842 32.0251 177.5952 37 T 4.4259 8.2644 105.8089 61.3480 71.4653 173.9144 38 G 3.8071 8.2310 109.6356 46.7548 0.0000 173.3413 39 I 4.3976 7.5451 119.2125 58.8334 40.1049 175.3045 40 N 4.5973 8.5498 123.4206 52.0578 39.2339 173.4748 41 P 4.2673 0.0000 0.0000 65.7740 31.6715 177.7563 42 A 4.1195 8.1476 119.6126 54.9292 18.9444 178.2802 43 T 3.9474 7.4414 105.8071 61.6078 68.9661 174.4839 44 R 4.3763 8.3418 123.5566 56.0623 30.7844 177.7388 45 V 3.7356 8.1409 118.7447 64.9883 31.7534 177.1322 46 K 4.0763 7.9986 119.7597 58.6082 32.0654 176.5314 47 D 4.6022 7.2959 113.9412 53.0041 40.3953 174.1692 48 L 4.8060 7.8955 125.6936 53.3762 43.9448 177.6966 49 T 3.9433 8.1693 117.5093 64.2827 70.4351 175.4037 50 E 4.0465 8.9071 123.1169 59.4610 29.4002 179.6884 51 A 3.9498 7.9121 120.3364 55.3734 18.4174 179.1819 52 E 3.9334 8.1901 115.1944 60.0176 29.7452 178.8278 53 V 3.4420 8.4559 117.5900 65.4306 31.1445 177.7738 54 V 3.5654 7.2712 116.2277 66.4849 31.8726 178.0045 55 R 3.9929 8.0350 116.8132 58.8690 29.6348 177.3384 56 L 4.3403 8.0631 120.1848 57.6192 42.6532 178.3568 57 R 3.9849 8.0334 115.4979 59.5048 28.5939 177.8490 58 E 3.9082 8.6212 119.5281 59.4539 29.5413 178.3438 59 Y 4.1110 8.4059 117.4448 60.2219 38.5558 179.2639 60 V 3.2061 8.5031 111.7563 64.4000 32.4087 177.0714 61 E 3.9621 7.7111 117.5228 59.4281 29.4301 178.0010 62 N 4.6196 7.2489 113.4082 54.7252 39.5410 176.9390 63 T 3.3101 7.1274 117.3261 67.7714 68.6331 173.6508 64 W 4.6181 7.3121 114.5649 56.4630 31.0958 173.7106 65 K 4.2470 8.9670 118.9429 57.6391 33.8274 171.6008 66 L 3.8161 8.9301 131.5749 53.6800 40.4175 173.6057 67 E 4.2789 8.9073 124.8068 57.6334 29.8961 175.2467 68 G 4.0252 9.1522 119.4652 44.0105 0.0000 172.7459 69 E 5.9800 7.2697 132.9773 54.9095 30.9916 176.5900 70 L 4.3314 8.9307 126.2223 57.4023 43.0754 177.3004 71 R 4.0956 8.6241 117.5080 59.8413 29.7343 177.5134 72 A 3.9646 8.6745 120.3614 55.6205 18.3427 179.3260 73 E 3.9511 9.1317 117.6311 59.0605 29.4788 178.9871 74 V 3.6581 8.1354 117.7567 65.3831 31.7796 177.5690 75 A 4.0840 7.7794 121.1067 54.9259 18.5069 179.1024 76 A 3.9610 8.1107 118.2998 55.5701 18.2315 179.2586 77 N 4.3434 7.9337 114.9610 56.7405 38.6185 177.2478 78 I 3.6399 7.7451 120.8797 64.6564 37.2477 178.4375 79 K 3.9772 7.6411 118.6736 59.2102 31.9142 178.9278 80 R 3.9153 8.3568 119.8353 59.2220 29.9262 178.2737 81 L 4.2631 7.7199 117.9272 56.9559 41.2385 177.8141 82 M 4.5376 7.6253 117.7777 53.8144 32.3316 175.8290 83 D 4.0426 8.3557 111.6876 56.5493 38.3507 177.4788 84 I 4.4657 9.8438 119.0962 59.9563 40.0290 173.7379 85 G 3.1539 7.6365 110.5147 44.4628 0.0000 171.5865 86 C 4.8883 7.7788 120.9150 56.1641 31.9152 175.3909 87 Y 4.1060 8.7054 122.9025 60.8351 38.5111 178.4339 88 R 4.0203 8.0516 117.3205 58.1903 31.1179 178.0572 89 G 3.8621 8.6738 107.4299 47.5184 0.0000 174.4815 90 L 4.1851 7.0482 116.9726 55.1860 42.2687 178.9709 91 R 3.9559 8.5948 117.0353 57.1010 28.6521 177.1352 92 H 4.9089 8.1090 114.8044 55.5843 30.8633 173.5930 93 R 4.4062 7.6686 116.5302 58.1564 31.7777 177.1169 94 R 4.1477 8.2593 115.4053 60.0081 30.6498 177.5009 95 G 3.7703 7.4567 105.0022 46.1809 0.0000 173.2782 96 L 4.6974 8.5060 119.6650 51.3366 44.7646 175.0095 97 P 4.2455 0.0000 0.0000 62.9128 30.1187 176.1625 98 V 4.5691 7.5995 123.1878 60.8373 32.9056 175.0294 99 R 5.1939 8.8145 130.2796 58.0581 32.1632 174.9781 100 G 3.9913 8.4534 99.6719 46.5131 0.0000 172.8060 101 Q 4.5281 7.7553 123.4451 54.2187 33.0951 174.5138 102 R 4.2069 8.4929 117.9845 56.8213 30.4615 176.7087 103 T 4.5410 8.4170 110.5118 61.3238 69.6092 174.2347 104 R 4.2707 7.9425 121.0398 57.1011 30.4512 175.0772 105 T 4.3418 7.7603 104.9268 61.9717 71.5387 173.3468 106 N 3.5448 9.4631 116.1886 55.5341 38.5338 174.6441 107 A 3.9338 8.6335 123.8492 52.9435 16.4465 180.5354 108 R 4.5806 7.7003 110.7668 56.6721 29.7579 177.2916 109 T 4.4480 8.7283 117.9064 64.4463 70.6840 176.1353 110 R 4.0687 8.0809 119.2207 58.0216 30.7833 177.0193 111 K 4.1852 7.9573 122.1452 55.4991 32.1425 175.9689 112 G 4.2245 8.2739 113.0891 42.8461 0.0000 169.3902 113 P 4.0259 0.0000 0.0000 62.1677 31.6040 176.3198 114 R 3.8549 8.5952 118.5500 56.9216 28.9795 176.9170 115 K 4.3140 8.2139 124.0793 54.2189 31.0183 176.6437 116 T 4.0689 7.8939 119.9595 64.3225 69.0432 175.0169 117 V 4.3372 8.2573 117.3943 62.1565 34.9038 174.4926 118 A 3.9390 8.3530 124.7707 55.3425 18.2878 177.7915 *119 G 3.7341 7.9390 107.0817 45.8925 0.0000 172.4920 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 2 A 8.26 4.22 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 3 R 8.00 4.20 0.00 1.91 1.98 0.00 3.27 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 4 I 8.45 4.20 1.93 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 1.30 0.87 0.98 0.00 0.00 5 A 9.02 3.98 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 6 G 8.20 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 7 V 9.54 4.39 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 0.90 0.00 0.00 0.95 0.00 0.00 8 E 8.06 4.01 0.00 2.18 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 2.59 2.48 0.00 9 I 8.05 4.66 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.94 0.00 0.00 10 P 0.00 4.72 0.00 2.48 2.41 0.00 3.96 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 2.13 2.24 0.00 11 R 7.52 4.14 0.00 1.92 1.97 0.00 3.29 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 12 N 8.75 3.96 0.00 2.90 2.97 0.00 0.00 6.70 7.61 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 13 K 8.47 4.45 0.00 1.69 1.66 0.00 1.93 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.45 7.81 14 R 7.97 3.64 0.00 2.06 1.98 0.00 3.30 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 15 V 8.02 3.76 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 0.78 0.00 0.00 1.02 0.00 0.00 16 D 7.88 4.57 0.00 2.75 2.77 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 17 V 8.05 3.92 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 0.69 0.00 0.00 0.85 0.00 0.00 18 A 7.86 3.87 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.41 4.59 0.00 1.65 1.71 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.32 4.65 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 1.24 0.00 0.00 21 Y 7.10 4.86 0.00 3.08 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 22 I 7.13 4.47 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.99 0.99 0.00 0.00 23 Y 8.87 4.20 0.00 3.24 2.94 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 24 G 9.44 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 4.16 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.46 0.96 0.00 0.00 26 G 7.80 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 0.00 0.00 0.00 27 K 8.67 4.20 0.00 1.84 1.77 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.53 7.81 28 A 7.79 4.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.80 4.16 0.00 1.47 1.59 0.00 2.21 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.30 0.00 30 A 7.72 4.34 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 31 K 8.38 4.53 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 32 E 7.65 4.73 0.00 2.08 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 2.24 2.26 0.00 33 A 7.94 4.04 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.52 4.11 0.00 1.71 1.79 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.16 3.86 0.00 2.10 2.18 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 2.43 2.31 0.00 36 K 7.49 3.74 0.00 1.57 1.23 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.54 7.81 37 T 8.26 4.43 4.31 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 1.02 0.00 0.00 38 G 8.23 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 39 I 7.55 4.40 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.91 0.00 0.00 40 N 8.55 4.60 0.00 2.79 2.69 0.00 0.00 7.20 7.71 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 41 P 0.00 4.27 0.00 2.07 2.11 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 42 A 8.15 4.12 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 43 T 7.44 3.95 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 44 R 8.34 4.38 0.00 1.86 1.90 0.00 3.38 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 45 V 8.14 3.74 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 0.78 0.00 0.00 1.00 0.00 0.00 46 K 8.00 4.08 0.00 1.84 1.83 0.00 2.05 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 47 D 7.30 4.60 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.81 0.00 1.88 1.62 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.17 3.94 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 1.24 0.00 0.00 50 E 8.91 4.05 0.00 2.05 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 2.41 2.45 0.00 51 A 7.91 3.95 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 52 E 8.19 3.93 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 53 V 8.46 3.44 2.29 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 1.10 0.00 0.00 0.98 0.00 0.00 54 V 7.27 3.57 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 1.01 0.00 0.00 0.99 0.00 0.00 55 R 8.04 3.99 0.00 1.92 2.18 0.00 3.29 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 56 L 8.06 4.34 0.00 1.94 1.81 1.01 0.89 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 57 R 8.03 3.98 0.00 2.11 2.23 0.00 3.07 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 58 E 8.62 3.91 0.00 2.00 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 0.00 2.64 2.50 0.00 59 Y 8.41 4.11 0.00 2.91 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 60 V 8.50 3.21 2.34 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 1.23 0.00 0.00 1.13 0.00 0.00 61 E 7.71 3.96 0.00 2.08 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 0.00 2.33 2.40 0.00 62 N 7.25 4.62 0.00 2.50 2.74 0.00 0.00 7.08 7.42 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 63 T 7.13 3.31 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 -1.08 0.00 0.00 64 W 7.31 4.62 0.00 3.28 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 65 K 8.97 4.25 0.00 1.90 1.88 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.50 7.81 66 L 8.93 3.82 0.00 2.00 1.91 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.91 4.28 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 68 G 9.15 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.27 5.98 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 2.07 2.14 0.00 70 L 8.93 4.33 0.00 1.97 1.88 0.57 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.62 4.10 0.00 1.79 1.92 0.00 2.82 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 72 A 8.67 3.96 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 73 E 9.13 3.95 0.00 2.26 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 2.32 2.33 0.00 74 V 8.14 3.66 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 0.92 0.00 0.00 1.09 0.00 0.00 75 A 7.78 4.08 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 76 A 8.11 3.96 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 77 N 7.93 4.34 0.00 2.97 2.89 0.00 0.00 6.87 7.40 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 78 I 7.75 3.64 1.85 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 1.41 1.52 0.51 0.00 0.00 79 K 7.64 3.98 0.00 1.86 1.95 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 80 R 8.36 3.92 0.00 1.87 2.06 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 81 L 7.72 4.26 0.00 1.90 1.68 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.63 4.54 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 83 D 8.36 4.04 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 84 I 9.84 4.47 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.92 0.00 0.00 85 G 7.64 3.15 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 0.00 86 C 7.78 4.89 0.00 3.13 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 87 Y 8.71 4.11 0.00 3.05 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 88 R 8.05 4.02 0.00 1.87 1.99 0.00 3.31 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 89 G 8.67 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 90 L 7.05 4.19 0.00 1.65 1.55 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.59 3.96 0.00 1.78 2.08 0.00 3.04 0.00 0.00 2.77 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 92 H 8.11 4.91 0.00 3.04 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.67 4.41 0.00 2.01 1.87 0.00 3.45 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 94 R 8.26 4.15 0.00 1.79 1.94 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 95 G 7.46 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 0.00 0.00 0.00 96 L 8.51 4.70 0.00 1.64 1.52 0.90 1.10 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 97 P 0.00 4.25 0.00 2.17 2.10 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 98 V 7.60 4.57 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 0.87 0.00 0.00 0.97 0.00 0.00 99 R 8.81 5.19 0.00 1.83 1.89 0.00 3.41 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 100 G 8.45 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 0.00 101 Q 7.76 4.53 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 102 R 8.49 4.21 0.00 1.81 1.87 0.00 3.32 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 103 T 8.42 4.54 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 1.22 0.00 0.00 104 R 7.94 4.27 0.00 1.79 1.97 0.00 3.28 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 105 T 7.76 4.34 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 0.00 106 N 9.46 3.54 0.00 2.81 2.92 0.00 0.00 7.11 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 0.00 107 A 8.63 3.93 1.44 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 0.00 0.00 108 R 7.70 4.58 0.00 1.79 1.97 0.00 3.33 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 109 T 8.73 4.45 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 1.21 0.00 0.00 110 R 8.08 4.07 0.00 1.78 2.12 0.00 3.15 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 111 K 7.96 4.19 0.00 1.92 1.97 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.42 7.81 112 G 8.27 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 0.00 0.00 0.00 113 P 0.00 4.03 0.00 2.04 2.04 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 114 R 8.60 3.85 0.00 1.91 1.99 0.00 3.02 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 115 K 8.21 4.31 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.30 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.59 7.81 116 T 7.89 4.07 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 1.24 0.00 0.00 117 V 8.26 4.34 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 0.62 0.00 0.00 0.93 0.00 0.00 118 A 8.35 3.94 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 *119 G 7.94 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 * Residues marked with a * may have inaccurate shift predictions.