NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.2688 0.0000 0.0000 62.2053 32.4435 176.2411 8 A 3.9529 8.3857 126.1052 50.8822 19.0596 171.1033 9 V 4.0408 8.8654 121.1858 62.6997 33.3764 173.5701 10 E 5.0998 9.1636 127.7543 54.8653 32.1789 174.9955 11 S 5.8226 8.9432 116.5464 55.9038 66.8500 172.6526 12 R 4.6174 7.8607 116.3696 56.3367 33.0741 172.6497 13 L 5.0057 8.4863 123.6105 52.9466 43.9028 175.8588 14 V 4.1276 8.6841 124.5304 62.2687 33.6731 176.5011 15 G 3.9760 9.2885 115.4913 45.1113 0.0000 173.6067 16 G 4.3001 7.6142 107.6354 43.5223 0.0000 174.1454 17 S 4.3172 8.4812 113.2082 59.5654 63.5578 173.4786 18 S 4.6234 7.4767 115.1857 56.7975 65.7878 174.1904 19 I 3.8732 8.1563 112.3463 62.9318 37.5466 177.1544 20 C 4.6262 8.2607 119.0849 57.2340 34.6382 172.6589 21 E 4.9359 7.8032 117.4305 54.4419 32.2292 175.2816 22 G 3.8720 6.7850 107.9736 43.8493 0.0000 171.8293 23 T 4.3651 7.6639 117.1111 63.2834 69.6031 174.7567 24 V 4.1926 8.7069 126.8097 62.8299 32.9749 174.6479 25 E 5.3556 9.4282 127.0070 54.8510 33.4208 175.2652 26 V 5.8393 9.0572 115.0022 59.2373 36.9332 174.2862 27 R 4.1010 7.9104 118.4874 57.3730 32.8403 172.3990 28 Q 4.2673 8.9844 125.4152 55.7963 29.7373 176.0734 29 G 4.0598 8.5880 106.3924 43.3646 0.0000 172.2341 30 A 4.5257 7.2799 126.4841 50.8903 22.6261 176.3147 31 Q 4.2267 8.2052 118.2746 55.4822 29.4198 176.6977 32 W 4.6469 8.5285 119.9196 57.1220 30.0469 175.4845 33 A 4.9217 9.0595 123.3018 50.0985 22.7770 175.5987 34 A 4.5358 8.7402 121.1156 52.2183 19.5709 176.4720 35 L 4.8444 8.9268 123.2626 54.8165 43.5675 174.9942 36 C 5.2396 9.4653 124.2362 56.0175 41.6278 172.5905 37 D 5.3093 9.2561 122.3668 53.0174 44.5281 176.1921 38 S 4.4385 8.6582 117.5366 57.7253 63.7060 173.4388 *43 S 4.2537 8.3813 122.7282 58.5200 64.1666 175.8369 44 S 4.2001 7.9558 115.4975 60.4666 62.4365 176.0078 45 L 3.8578 7.7503 122.1381 58.0210 41.3859 179.2916 46 R 3.5622 6.8864 117.1778 58.9687 29.7664 178.5026 47 W 4.6899 6.9631 118.2163 59.2693 29.2167 178.0803 48 E 3.9865 8.3120 119.6087 59.2314 29.0339 178.6017 49 E 3.9406 7.9224 118.1256 59.5052 29.2121 179.4884 50 V 3.6425 7.7871 118.0704 66.2484 31.6548 177.3851 51 C 4.3742 8.6579 116.5396 60.3203 40.5690 176.4430 52 R 3.8470 8.1671 119.3813 58.8760 29.4151 178.6526 53 E 3.9564 8.2686 118.7185 58.9755 29.4029 178.1335 54 Q 4.1463 7.7659 115.5523 55.8549 28.6399 176.2364 55 Q 3.4250 7.9234 120.1148 57.3108 27.9371 172.2860 56 C 4.8453 7.7366 114.2232 55.3189 42.7985 172.6055 57 G 3.9416 8.5576 107.2414 46.0867 0.0000 174.1179 58 S 4.8873 8.6049 115.3743 57.8200 64.5201 174.3596 59 V 4.1837 8.6496 122.5949 62.3896 31.0773 175.7341 60 N 5.0671 9.0521 121.7342 52.9912 38.9199 174.1501 61 S 4.7290 7.9471 113.0308 58.5303 65.8850 173.8839 62 Y 5.8596 7.9918 116.7258 57.2159 40.3487 173.9501 63 R 4.7029 8.3048 115.9324 54.7212 33.2506 173.9205 64 V 4.3986 8.4667 121.6897 62.6750 32.6355 174.9918 65 L 4.7531 8.7602 127.0960 54.0077 45.2432 177.0768 66 D 4.4969 8.9041 119.2313 54.3870 38.3923 173.8707 67 A 4.1450 7.9239 121.7693 54.2298 18.5189 178.4416 68 G 3.9977 9.2198 109.4626 45.6361 0.0000 172.6093 69 D 4.6922 7.9209 120.0776 51.4786 41.0086 175.3362 70 P 2.9700 0.0000 0.0000 64.6589 31.5355 177.8169 71 T 4.0809 7.8783 107.8621 61.9411 69.3580 174.5605 72 S 4.2834 7.8380 119.4463 57.9058 62.6142 173.0125 73 R 5.2576 8.2124 123.2169 54.1683 33.2423 175.6101 74 G 4.1657 7.8675 105.5823 46.2701 0.0000 172.0955 75 L 5.5153 8.4183 121.6649 53.1526 46.1377 175.6948 76 F 5.1768 9.1307 122.0737 56.9059 43.5770 172.6527 77 C 4.4138 7.3679 123.5149 53.7501 45.8011 172.9597 78 P 3.8993 0.0000 0.0000 59.7106 29.6493 174.7397 79 H 4.3494 6.9764 114.4052 55.5490 33.0318 174.1617 80 Q 3.9134 9.0370 125.6396 58.5597 29.1684 176.8525 81 K 4.4263 7.5058 116.4299 54.0937 34.5230 176.7420 82 L 3.8608 8.5779 124.0751 58.0930 41.5584 179.5493 83 S 4.2934 8.0194 109.5903 60.0929 62.7445 174.3354 84 Q 4.4683 7.7942 120.1241 55.7661 29.1486 174.1676 85 C 4.6795 7.9216 118.9744 55.1800 44.2494 173.4017 86 H 4.2637 8.7304 124.9809 58.0581 28.8408 175.4275 87 E 5.0583 7.6731 117.7011 54.8437 32.4861 173.8109 88 L 4.7498 8.5608 125.2909 53.6362 43.6154 175.8240 89 W 5.1950 9.0411 121.8502 55.1464 32.1180 175.1164 90 E 4.8580 8.9146 122.4231 56.1166 30.3474 176.4118 91 R 4.4430 8.8858 123.9814 54.6961 32.1209 174.9217 92 N 4.9449 8.8230 122.6693 53.0517 38.9610 175.2945 93 S 4.6951 7.7636 110.4826 59.1667 65.3102 173.2269 94 Y 3.7640 8.0670 116.6522 59.2309 35.2149 170.7657 95 C 4.5557 8.3732 120.5251 56.5143 42.8819 172.8605 96 K 4.6128 8.8271 126.3405 55.7760 33.1973 177.0382 97 K 4.9001 8.5647 125.3326 54.7009 34.9085 175.7301 98 V 4.6973 8.0045 119.1729 61.4018 35.1239 173.5380 99 F 4.9968 9.2134 130.5053 56.5955 41.1887 174.2021 100 V 4.7855 8.2065 126.6514 61.2446 34.3264 174.0172 101 T 4.7810 8.9118 121.8373 60.6312 69.6732 172.2044 102 C 5.2774 8.9812 126.7138 55.3385 37.6498 173.9114 103 Q 4.3122 8.9237 120.5472 55.6472 29.8487 176.7294 104 D 4.5238 8.6454 119.9297 55.0109 40.8603 176.7273 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 7 P 0.00 4.27 0.00 2.14 2.10 0.00 3.71 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 1.85 1.94 0.00 8 A 8.39 3.95 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 9 V 8.87 4.04 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 0.80 0.00 0.00 0.94 0.00 0.00 10 E 9.16 5.10 0.00 1.83 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 2.31 2.21 0.00 11 S 8.94 5.82 0.00 3.94 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 12 R 7.86 4.62 0.00 1.49 1.31 0.00 2.73 0.00 0.00 2.86 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 0.00 13 L 8.49 5.01 0.00 1.55 1.44 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.68 4.13 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 0.86 0.00 0.00 0.72 0.00 0.00 15 G 9.29 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 16 G 7.61 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 0.00 0.00 0.00 0.00 17 S 8.48 4.32 0.00 4.00 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 18 S 7.48 4.62 0.00 3.94 3.97 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 19 I 8.16 3.87 1.81 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 1.38 0.56 0.86 0.00 0.00 20 C 8.26 4.63 0.00 3.02 3.13 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 21 E 7.80 4.94 0.00 2.15 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 2.19 2.29 0.00 22 G 6.78 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 0.00 0.00 0.00 23 T 7.66 4.37 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 1.21 0.00 0.00 24 V 8.71 4.19 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 1.17 0.00 0.00 0.78 0.00 0.00 25 E 9.43 5.36 0.00 1.82 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 2.27 2.23 0.00 26 V 9.06 5.84 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 0.82 0.00 0.00 1.02 0.00 0.00 27 R 7.91 4.10 0.00 1.28 0.66 0.00 2.60 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.04 0.00 28 Q 8.98 4.27 0.00 2.04 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 29 G 8.59 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 30 A 7.28 4.53 1.08 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 0.00 0.00 31 Q 8.21 4.23 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 32 W 8.53 4.65 0.00 3.20 3.32 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 33 A 9.06 4.92 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 34 A 8.74 4.54 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 35 L 8.93 4.84 0.00 1.91 1.67 1.02 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.47 5.24 0.00 3.20 3.18 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 0.00 37 D 9.26 5.31 0.00 2.94 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 38 S 8.66 4.44 0.00 4.07 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 *43 S 8.38 4.25 0.00 3.89 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 44 S 7.96 4.20 0.00 4.00 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 45 L 7.75 3.86 0.00 1.50 1.59 0.85 0.80 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 46 R 6.89 3.56 0.00 1.60 0.83 0.00 2.21 0.00 0.00 2.53 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 47 W 6.96 4.69 0.00 3.25 3.07 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 48 E 8.31 3.99 0.00 2.11 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 2.31 2.40 0.00 49 E 7.92 3.94 0.00 2.17 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 2.27 2.38 0.00 50 V 7.79 3.64 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 1.12 0.00 0.00 1.15 0.00 0.00 51 C 8.66 4.37 0.00 3.16 3.39 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 52 R 8.17 3.85 0.00 1.84 1.98 0.00 3.49 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 53 E 8.27 3.96 0.00 2.10 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 0.00 2.36 2.38 0.00 54 Q 7.77 4.15 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 5.90 0.00 0.00 0.00 0.00 0.00 2.76 2.48 0.00 55 Q 7.92 3.43 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 56 C 7.74 4.85 0.00 3.06 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 57 G 8.56 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 0.00 0.00 0.00 58 S 8.60 4.89 0.00 3.83 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 59 V 8.65 4.18 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 0.83 0.00 0.00 1.21 0.00 0.00 60 N 9.05 5.07 0.00 2.73 3.00 0.00 0.00 6.86 7.41 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 61 S 7.95 4.73 0.00 3.78 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 62 Y 7.99 5.86 0.00 2.62 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 63 R 8.30 4.70 0.00 1.80 1.94 0.00 2.78 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 64 V 8.47 4.40 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 0.87 0.00 0.00 1.06 0.00 0.00 65 L 8.76 4.75 0.00 1.65 1.55 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.90 4.50 0.00 3.09 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 67 A 7.92 4.15 1.30 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 0.00 0.00 68 G 9.22 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 0.00 0.00 0.00 69 D 7.92 4.69 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 2.97 0.00 1.95 1.75 0.00 3.60 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 1.90 1.85 0.00 71 T 7.88 4.08 4.19 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 0.00 0.00 1.14 0.00 0.00 72 S 7.84 4.28 0.00 3.90 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 73 R 8.21 5.26 0.00 1.92 1.85 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 74 G 7.87 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 75 L 8.42 5.52 0.00 1.63 1.61 0.96 0.96 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 F 9.13 5.18 0.00 3.12 3.13 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 77 C 7.37 4.41 0.00 2.71 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 78 P 0.00 3.90 0.00 1.75 1.49 0.00 3.06 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.44 0.00 79 H 6.98 4.35 0.00 2.88 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 9.04 3.91 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 81 K 7.51 4.43 0.00 1.72 1.56 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.30 7.81 82 L 8.58 3.86 0.00 1.67 1.69 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.02 4.29 0.00 3.94 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 84 Q 7.79 4.47 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 85 C 7.92 4.68 0.00 3.00 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 86 H 8.73 4.26 0.00 3.18 3.33 0.00 5.78 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 87 E 7.67 5.06 0.00 1.96 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 0.00 2.45 2.64 0.00 88 L 8.56 4.75 0.00 1.63 1.64 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 W 9.04 5.19 0.00 3.48 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 90 E 8.91 4.86 0.00 1.92 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 2.37 2.39 0.00 91 R 8.89 4.44 0.00 1.84 1.85 0.00 2.96 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 92 N 8.82 4.94 0.00 2.77 2.84 0.00 0.00 6.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.76 4.70 0.00 3.92 3.74 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 94 Y 8.07 3.76 0.00 3.22 3.07 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 95 C 8.37 4.56 0.00 3.05 3.10 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 96 K 8.83 4.61 0.00 2.02 1.82 0.00 1.80 0.00 0.00 1.90 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.56 7.81 97 K 8.56 4.90 0.00 1.80 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.28 7.81 98 V 8.00 4.70 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.94 0.00 0.00 99 F 9.21 5.00 0.00 3.13 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 0.00 100 V 8.21 4.79 1.87 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 0.95 0.00 0.00 0.34 0.00 0.00 101 T 8.91 4.78 4.39 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 1.49 0.00 0.00 102 C 8.98 5.28 0.00 2.93 3.19 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 0.00 0.00 0.00 103 Q 8.92 4.31 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 104 D 8.65 4.52 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.