NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4218 8.1585 120.3291 55.4395 34.7310 177.3164 2 A 3.8488 8.0985 120.4861 53.5519 18.0930 178.0358 3 Q 4.0920 8.8782 117.1252 59.5569 29.2871 177.0281 4 R 4.1326 8.0916 119.5733 58.9075 30.2214 178.9499 5 V 3.6528 7.8817 118.3433 66.2276 31.6504 178.2221 6 T 3.9984 7.6484 108.7297 64.7039 68.2870 176.6868 7 F 4.1557 7.7804 119.6149 60.5497 39.1540 177.6910 8 R 4.1374 8.3352 116.6632 59.3864 30.0107 179.1352 9 R 4.1838 7.7320 115.5582 56.9384 30.1153 176.2347 10 R 3.8350 7.3317 118.4629 58.2003 29.2517 175.1467 11 N 4.9331 8.3317 131.5228 52.7649 39.1438 174.9266 12 P 3.6401 0.0000 0.0000 65.0461 30.9775 178.3650 13 Y 3.9397 8.7901 124.0995 59.9910 38.0396 171.0749 14 N 4.4510 8.3344 117.8977 56.8882 38.7233 176.2393 15 T 3.9272 7.8547 108.4282 63.5226 69.3456 174.0795 16 R 4.5694 7.7701 125.7350 53.3865 30.1756 174.4219 17 S 5.1726 8.8011 116.4544 55.0410 66.3088 171.3514 18 N 4.4778 9.4084 112.5972 51.5267 38.5006 172.5918 19 K 3.5975 9.0631 120.4596 54.8550 32.7968 174.4733 20 I 3.6392 7.8017 120.1148 60.5848 37.9563 175.1703 21 K 4.8528 8.3074 121.9812 54.5111 35.9028 175.1304 22 V 4.8174 8.6067 122.4501 59.2761 33.4392 175.4652 23 V 4.3735 8.3111 123.5578 59.9870 33.9857 174.1939 24 K 4.7271 8.8493 127.2654 55.4696 34.2547 177.4328 *25 T 4.3367 7.8956 118.8924 59.1040 70.1441 171.9788 *26 P 4.4971 0.0000 0.0000 64.6399 32.0086 171.9475 27 G 4.2722 8.7448 109.4191 42.8851 0.0000 177.0852 28 G 3.7765 9.0985 113.6738 45.5322 0.0000 171.3525 29 I 4.8573 7.9660 120.3449 59.2270 40.7074 173.9319 30 L 4.9375 8.1267 124.5186 53.8543 46.9499 175.0064 31 R 4.9939 8.3197 114.9862 55.1873 31.9797 174.0717 32 A 4.6341 8.4327 124.6478 50.1346 21.4053 175.3583 33 Q 4.4093 8.7381 122.2986 54.3363 29.8024 175.7424 34 H 4.6508 8.0324 121.9655 56.9240 33.4820 172.8535 35 V 4.1353 7.2099 112.7091 60.4353 34.3399 173.7658 36 K 3.9516 8.8186 123.9694 58.7538 32.3195 176.5775 37 K 5.1041 7.9100 131.0654 56.9460 34.8917 175.4941 38 L 4.1471 7.4574 118.8548 55.3345 42.3087 178.6456 39 A 4.3762 8.2298 121.8461 55.7647 18.4284 179.0025 40 T 3.9912 8.0263 110.6232 66.3620 68.6921 175.1169 41 R 4.4196 7.1761 117.3349 54.2592 31.5896 173.5426 42 P 4.6192 0.0000 0.0000 60.4023 34.1775 171.9223 43 K 3.7406 9.2668 114.6814 56.8390 31.0014 174.4205 44 C 3.6115 8.2327 125.2105 57.3497 33.3433 174.8331 45 G 3.7971 8.9270 115.4225 48.9804 0.0000 174.7068 46 D 4.3873 7.6366 119.6142 55.5384 39.3592 175.8469 47 C 4.7788 7.6017 115.1094 55.5416 32.2056 173.7489 48 G 3.6909 8.6819 107.3095 48.5450 0.0000 174.2050 49 S 4.0126 7.5094 115.5525 58.4387 62.7507 173.4761 50 A 4.2487 8.3622 130.2547 51.6882 19.0005 177.3586 51 L 3.9973 8.5533 121.5357 57.2535 41.8277 177.5186 52 Q 4.4437 7.4918 118.1977 54.4144 28.3864 174.7608 53 G 4.0635 7.6148 111.6905 45.4552 0.0000 169.6226 54 I 3.7033 8.4796 121.5470 60.6708 36.6948 177.2971 55 S 5.2513 5.8100 120.6814 58.6031 66.8437 175.4451 56 T 4.5488 7.6008 116.5827 59.7336 69.1373 172.6775 57 L 4.1623 8.2502 127.0854 55.5503 39.0561 176.2546 58 R 4.4543 8.2052 123.1855 56.9539 31.2842 176.5662 59 P 3.7412 0.0000 0.0000 67.0308 31.6485 177.4270 60 R 3.9240 7.9289 117.4601 57.8683 30.5187 176.7455 61 Q 4.0265 7.6026 120.4778 55.3114 30.1016 175.5555 62 Y 3.9208 8.7812 124.0160 58.7307 35.3589 168.4153 63 A 4.7739 7.3671 119.6841 51.5860 23.9796 177.0759 64 T 4.5073 7.9782 116.6993 59.6051 65.6468 174.8624 65 V 3.1139 8.5896 120.1295 62.5841 31.4356 171.7596 66 S 4.5622 8.7096 118.1461 56.3665 65.2617 172.7008 67 K 4.3391 9.7123 120.0503 54.2401 31.7563 175.1245 68 T 3.6240 8.5299 109.8897 63.8324 69.2951 170.1612 69 H 4.4505 8.5804 122.4945 55.5762 25.4108 177.9812 70 K 4.5468 8.6171 128.1814 56.1785 33.3570 174.4655 71 T 4.8723 8.0484 111.4622 59.9446 72.1855 173.1957 72 V 4.5954 8.2256 121.1239 61.3759 34.8779 174.0268 73 S 4.8406 8.4196 121.0994 56.5351 64.7430 172.7281 74 R 4.9844 8.3005 126.1160 54.9288 32.9505 174.4536 75 A 4.4741 8.5408 127.9015 51.4026 20.1961 176.0242 76 Y 3.8969 7.7872 115.0921 57.0124 39.0683 176.3311 77 G 4.0865 8.8728 111.7695 44.6172 0.0000 171.8359 78 G 4.4125 8.1202 119.2537 44.7312 0.0000 173.0049 79 S 4.8664 7.7497 124.6312 58.2828 67.0241 178.5161 80 R 5.2192 7.8717 135.0000 58.0002 29.4167 175.0817 81 C 4.0128 7.5702 121.8387 63.4871 32.8545 175.0639 82 A 4.0219 8.0068 120.9276 55.2246 18.0233 179.1502 83 N 4.3079 8.1242 114.5920 56.5734 38.6363 176.9791 84 C 4.3248 7.8818 121.2447 61.8819 31.7447 175.8351 85 V 3.5755 7.2698 117.1138 65.8231 31.1369 177.8957 86 K 3.9714 7.8794 118.9853 59.5512 31.9333 178.6106 87 E 4.2343 8.3026 120.2602 58.9094 29.2849 179.5369 88 R 4.0312 7.9809 118.0655 59.3037 30.1705 179.2843 89 I 3.6560 7.6436 119.0695 64.4189 37.1658 178.6099 90 I 3.9244 7.8978 120.6019 64.6534 36.9650 178.8384 91 R 3.9994 8.1586 118.6791 59.0447 29.9031 178.9516 92 A 3.9849 8.3625 121.0731 55.2020 18.3215 179.7258 93 F 4.2368 8.3776 116.2965 60.7051 38.9286 177.9012 94 L 4.1381 8.2217 119.0110 57.7077 41.1648 179.6311 95 I 3.7748 7.6510 112.3834 64.0470 37.7092 177.8832 96 E 4.0967 8.2007 120.2716 59.1281 28.9470 178.9411 97 E 3.9613 8.8150 119.8452 59.1595 29.6555 178.5712 98 Q 4.0083 7.9029 119.4167 58.8719 28.8634 177.8739 99 K 4.1333 7.5333 116.8613 57.4390 31.9709 177.4240 100 I 3.7424 7.2328 120.5973 63.9714 37.3667 176.7705 101 V 3.8300 6.8815 119.2342 59.8300 33.3097 178.2196 102 K 4.3439 7.9801 114.3138 54.0702 28.8691 178.2979 103 K 3.8386 9.2476 126.6576 60.5939 31.5246 177.7769 104 V 3.6966 7.4679 117.0297 65.3528 31.6524 176.8368 105 V 4.3827 7.4472 108.4714 60.5271 34.8520 176.0644 106 K 4.3725 8.1461 116.8183 58.9614 31.0676 177.0687 107 E 3.6059 8.4770 115.8236 58.0160 28.1806 174.5706 108 Q 4.6617 8.2905 121.2914 55.2693 33.5655 174.2264 109 T 4.5176 7.8009 112.1110 61.9234 70.4604 172.8359 110 E 4.6327 8.2212 120.2320 55.8381 28.1558 176.9374 111 A 3.9675 8.7234 129.1691 55.7663 18.1934 177.2672 112 A 4.7112 7.7535 115.9716 50.0948 21.7140 175.2485 113 K 4.5669 8.2788 123.2036 55.8809 35.4554 175.9308 114 K 3.7206 8.7935 116.0191 57.4516 29.4610 175.6388 115 S 4.4624 8.1786 114.7187 58.8820 62.9530 173.3527 116 E 4.6661 8.7337 125.9994 54.1006 32.3872 174.9575 117 K 4.3699 8.5619 125.9012 54.9820 33.7207 176.8213 118 K 3.9171 8.1469 123.2451 56.7000 32.0788 176.5742 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 8.16 4.42 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 2 A 8.10 3.85 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 3 Q 8.88 4.09 0.00 2.47 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 4 R 8.09 4.13 0.00 1.90 2.03 0.00 3.19 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 5 V 7.88 3.65 2.36 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 1.07 0.00 0.00 0.96 0.00 0.00 6 T 7.65 4.00 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 1.30 0.00 0.00 7 F 7.78 4.16 0.00 3.19 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 8 R 8.34 4.14 0.00 1.75 2.00 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 9 R 7.73 4.18 0.00 1.89 1.68 0.00 3.35 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 10 R 7.33 3.84 0.00 2.10 2.15 0.00 3.61 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 1.87 1.84 0.00 11 N 8.33 4.93 0.00 2.83 2.76 0.00 0.00 7.21 7.69 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 12 P 0.00 3.64 0.00 1.99 1.80 0.00 3.85 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 2.02 2.09 0.00 13 Y 8.79 3.94 0.00 3.22 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 14 N 8.33 4.45 0.00 2.71 2.85 0.00 0.00 7.19 7.31 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 15 T 7.85 3.93 4.56 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 1.22 0.00 0.00 16 R 7.77 4.57 0.00 1.98 2.04 0.00 2.96 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.62 0.00 17 S 8.80 5.17 0.00 3.97 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 18 N 9.41 4.48 0.00 2.89 3.05 0.00 0.00 6.84 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 19 K 9.06 3.60 0.00 1.81 2.00 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.20 7.81 20 I 7.80 3.64 1.99 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 1.42 0.70 0.98 0.00 0.00 21 K 8.31 4.85 0.00 1.75 1.79 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.52 7.81 22 V 8.61 4.82 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 0.81 0.00 0.00 0.98 0.00 0.00 23 V 8.31 4.37 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 0.81 0.00 0.00 0.97 0.00 0.00 24 K 8.85 4.73 0.00 1.65 1.75 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.42 7.81 *25 T 7.90 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 *26 P 0.00 4.50 0.00 2.08 1.88 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 27 G 8.74 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 0.00 0.00 0.00 0.00 28 G 9.10 3.78 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 0.00 0.00 0.00 29 I 7.97 4.86 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 1.26 0.91 0.00 0.00 30 L 8.13 4.94 0.00 1.71 1.49 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.32 4.99 0.00 1.89 1.84 0.00 3.16 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 32 A 8.43 4.63 0.79 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 33 Q 8.74 4.41 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 34 H 8.03 4.65 0.00 3.18 3.42 0.00 5.77 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.21 4.14 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 0.74 0.00 0.00 0.93 0.00 0.00 36 K 8.82 3.95 0.00 1.85 1.94 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.41 7.81 37 K 7.91 5.10 0.00 1.72 1.87 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.22 7.81 38 L 7.46 4.15 0.00 1.33 1.46 1.07 0.88 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 39 A 8.23 4.38 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 40 T 8.03 3.99 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 41 R 7.18 4.42 0.00 1.74 1.68 0.00 3.19 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 1.53 1.59 0.00 42 P 0.00 4.62 0.00 1.96 1.36 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.14 0.00 43 K 9.27 3.74 0.00 1.73 2.01 0.00 1.60 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 0.93 7.81 44 C 8.23 3.61 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.93 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 46 D 7.64 4.39 0.00 2.98 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 47 C 7.60 4.78 0.00 3.13 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 48 G 8.68 3.69 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 0.00 49 S 7.51 4.01 0.00 4.05 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 50 A 8.36 4.25 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.55 4.00 0.00 1.59 1.72 0.88 0.88 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 52 Q 7.49 4.44 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 53 G 7.61 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.48 3.70 1.89 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 1.45 0.63 0.93 0.00 0.00 55 S 5.81 5.25 0.00 3.97 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 56 T 7.60 4.55 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 1.22 0.00 0.00 57 L 8.25 4.16 0.00 1.79 1.74 0.93 0.56 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 58 R 8.21 4.45 0.00 1.96 2.18 0.00 2.82 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 59 P 0.00 3.74 0.00 2.19 2.06 0.00 3.76 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 1.98 2.00 0.00 60 R 7.93 3.92 0.00 1.92 2.07 0.00 3.09 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 61 Q 7.60 4.03 0.00 1.69 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.63 0.00 0.00 0.00 0.00 0.00 2.03 1.72 0.00 62 Y 8.78 3.92 0.00 3.13 2.79 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 63 A 7.37 4.77 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 64 T 7.98 4.51 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 65 V 8.59 3.11 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 0.84 0.00 0.00 0.94 0.00 0.00 66 S 8.71 4.56 0.00 3.95 3.78 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 67 K 9.71 4.34 0.00 1.86 2.13 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.21 7.81 68 T 8.53 3.62 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 69 H 8.58 4.45 0.00 3.29 2.67 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.62 4.55 0.00 1.72 1.70 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.51 7.81 71 T 8.05 4.87 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 1.31 0.00 0.00 72 V 8.23 4.60 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 0.84 0.00 0.00 1.05 0.00 0.00 73 S 8.42 4.84 0.00 3.97 3.66 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 74 R 8.30 4.98 0.00 1.77 1.70 0.00 3.40 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.71 0.00 75 A 8.54 4.47 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.79 3.90 0.00 3.09 2.88 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 77 G 8.87 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 0.00 0.00 0.00 78 G 8.12 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 0.00 0.00 0.00 0.00 79 S 7.75 4.87 0.00 3.89 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 80 R 7.87 5.22 0.00 2.24 2.23 0.00 3.02 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 0.00 81 C 7.57 4.01 0.00 2.99 2.96 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 82 A 8.01 4.02 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 83 N 8.12 4.31 0.00 2.75 3.01 0.00 0.00 6.75 7.66 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 84 C 7.88 4.32 0.00 3.19 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 85 V 7.27 3.58 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 0.98 0.00 0.00 86 K 7.88 3.97 0.00 1.95 1.89 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 87 E 8.30 4.23 0.00 2.26 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 2.51 2.40 0.00 88 R 7.98 4.03 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 89 I 7.64 3.66 2.06 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 1.48 0.99 0.99 0.00 0.00 90 I 7.90 3.92 2.06 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 1.57 0.80 0.97 0.00 0.00 91 R 8.16 4.00 0.00 2.00 2.00 0.00 3.30 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 92 A 8.36 3.98 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 93 F 8.38 4.24 0.00 3.28 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.22 4.14 0.00 1.75 1.75 0.94 0.55 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 95 I 7.65 3.77 1.85 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 1.55 0.66 0.96 0.00 0.00 96 E 8.20 4.10 0.00 2.27 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 2.50 2.37 0.00 97 E 8.81 3.96 0.00 2.00 2.23 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 2.32 2.47 0.00 98 Q 7.90 4.01 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 99 K 7.53 4.13 0.00 1.92 1.84 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.58 7.81 100 I 7.23 3.74 2.07 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 0.75 0.99 0.00 0.00 101 V 6.88 3.83 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 0.93 0.00 0.00 102 K 7.98 4.34 0.00 1.90 1.18 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.43 7.81 103 K 9.25 3.84 0.00 1.74 1.89 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.39 7.81 104 V 7.47 3.70 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 0.79 0.00 0.00 0.93 0.00 0.00 105 V 7.45 4.38 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 0.93 0.00 0.00 106 K 8.15 4.37 0.00 1.75 2.16 0.00 1.75 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.38 7.81 107 E 8.48 3.61 0.00 2.00 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 2.22 2.28 0.00 108 Q 8.29 4.66 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 109 T 7.80 4.52 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 0.00 110 E 8.22 4.63 0.00 2.00 1.20 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 2.25 2.29 0.00 111 A 8.72 3.97 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 0.00 112 A 7.75 4.71 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 0.00 113 K 8.28 4.57 0.00 1.77 1.66 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.33 1.39 7.81 114 K 8.79 3.72 0.00 1.93 1.87 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 115 S 8.18 4.46 0.00 3.74 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 0.00 116 E 8.73 4.67 0.00 2.16 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 2.13 2.22 0.00 117 K 8.56 4.37 0.00 1.63 1.65 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.34 7.81 118 K 8.15 3.92 0.00 1.01 1.18 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.25 1.18 7.81 * Residues marked with a * may have inaccurate shift predictions.