NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3435 8.1876 119.6988 55.2576 31.0038 176.2597 4 F 4.0716 8.5042 116.8746 59.6894 37.4426 176.4323 5 F 3.6342 7.8243 121.9957 60.6932 39.5690 178.4463 6 R 4.0358 7.8705 117.2999 58.9464 29.8575 178.5982 7 E 3.9715 8.3697 118.7386 59.3076 29.5444 179.3413 8 I 3.7276 7.7818 120.0623 64.2075 37.1847 178.0313 9 E 3.9246 7.8107 119.7482 58.9556 29.5349 178.5307 10 N 4.4527 8.2308 116.9416 55.9455 38.5379 177.4396 11 L 4.2425 8.1044 120.6595 57.7666 41.7036 179.4919 12 K 4.0806 8.0990 118.2477 59.4606 31.6943 178.7626 13 E 3.9280 7.9371 118.3612 59.4176 29.7060 177.5956 14 Y 4.1966 7.7558 118.3579 60.7785 38.9570 177.8786 15 F 4.3012 8.4628 115.1506 55.5888 39.6716 177.5783 16 N 4.0081 8.6426 117.5805 54.5859 38.9120 175.0515 *25 G 3.9352 8.9545 103.2467 43.2062 0.0000 173.2578 26 G 3.9041 7.4564 103.8369 43.1569 0.0000 171.4452 27 P 4.2181 0.0000 0.0000 63.0596 31.1188 174.9277 28 L 3.9467 7.5305 120.7697 55.9438 43.1679 177.9959 29 F 4.7829 7.4886 115.5523 60.3193 39.8417 178.7428 30 S 4.1011 7.8731 112.1035 61.4623 63.2030 175.7866 31 E 4.1033 8.2183 123.2139 58.8081 29.3590 178.6448 32 I 3.8880 7.7784 119.3994 64.4123 37.0678 178.2286 33 L 4.0936 8.0544 118.6083 57.1864 41.4273 179.0821 34 K 4.2831 7.5721 117.8944 58.8650 32.3041 178.5671 35 N 4.7549 8.2229 115.7836 54.9320 39.4871 175.6015 36 W 4.3240 7.9713 120.9048 56.0504 27.4475 175.7507 37 K 4.1574 8.1444 122.2015 57.9583 32.5211 177.1465 38 D 4.5125 7.8963 118.1729 53.7834 39.5289 175.9944 39 E 4.2296 8.6708 122.3925 57.6444 29.3035 178.1014 40 S 4.4513 8.6270 115.2165 60.5142 63.0649 175.1480 41 D 4.9842 8.1570 117.5358 53.4807 39.5396 177.8985 42 K 4.2418 8.0167 122.3013 59.7257 32.0149 178.9198 43 K 4.0490 8.2077 118.5849 59.2727 32.0260 178.9113 44 I 3.6752 7.5121 120.3719 64.5565 37.0100 178.2721 45 I 3.3409 6.8550 118.6661 63.9717 37.6997 177.7720 46 Q 3.8041 8.0850 118.8926 58.5177 28.4485 178.4645 47 S 4.4227 8.3222 114.6158 61.2229 62.4374 176.2749 48 Q 3.9891 7.6455 119.7746 58.8277 28.4880 178.4768 49 I 3.1203 7.1950 120.4959 64.1598 37.0896 178.5008 50 V 3.6208 7.4822 119.2025 66.2412 31.3393 178.2904 51 S 4.3497 8.2209 113.2139 61.0238 62.6248 176.2623 52 F 4.0111 8.0796 124.5819 61.6278 39.2267 176.6370 53 Y 3.4944 8.0348 116.2879 60.8019 37.3898 178.8310 54 F 3.8335 8.2298 118.7002 60.5786 39.2226 177.9032 55 K 4.0002 8.0769 118.0719 59.0875 31.6921 179.2833 56 L 3.6996 7.7020 120.8735 58.2556 41.8153 179.0132 57 F 4.5503 8.1860 116.5331 60.7385 38.8848 176.9641 58 E 4.1676 7.9478 117.6514 58.3260 29.8268 178.1509 59 N 4.5086 7.8735 117.1450 56.7336 38.9503 176.4463 60 L 4.5759 8.1127 118.9166 54.9665 41.6334 178.4847 61 K 4.2088 7.7786 119.8524 58.1144 32.2570 177.5697 62 D 4.4815 7.9404 117.2898 57.3052 41.3893 176.3946 63 N 4.6599 7.8144 117.3627 52.1645 37.0685 175.4471 64 Q 4.0069 8.4524 123.4661 58.5468 29.2279 179.6915 65 V 3.5438 7.7127 116.5592 63.6043 31.5761 176.5690 66 I 4.0818 7.0603 111.6393 60.2288 38.7552 176.9463 67 Q 3.8213 7.5641 123.2173 59.4705 28.6368 178.4513 68 R 3.8064 7.7429 119.0971 59.3686 30.2645 178.3874 69 S 4.2963 7.7591 115.7219 61.4279 62.8234 176.4820 70 M 3.2577 7.8335 121.1589 58.1736 31.5344 178.5877 71 D 4.2712 7.8061 118.6794 57.3637 40.9378 178.9347 72 I 3.7388 7.6170 120.1740 64.4510 37.1017 178.6526 73 I 3.7914 7.6638 120.6599 64.1600 37.0109 178.2429 74 K 3.9096 8.3297 120.8974 59.8142 31.9157 178.7629 75 Q 4.2382 8.3104 118.1659 59.1070 28.5927 178.5822 76 D 4.3146 7.9552 119.5411 57.5207 40.8038 178.5264 77 M 3.9567 8.1563 119.2223 58.4112 32.0117 178.4685 78 F 4.3966 8.2901 120.3422 61.4985 39.5104 176.6249 79 Q 3.3187 7.9562 119.0131 59.1742 28.6244 178.5791 80 K 4.0584 8.4276 117.0472 57.7237 32.2607 178.0252 81 F 4.8813 8.1555 119.7847 59.3432 40.5781 176.1674 82 L 4.2574 8.1641 116.7265 53.5482 41.7667 176.2963 83 N 4.2802 8.1333 113.6356 53.6014 35.9833 174.4577 84 G 2.9769 7.3728 100.2777 46.0204 0.0000 174.6722 85 S 4.4180 8.1039 115.0205 57.1933 62.1059 174.2463 86 S 4.1488 8.8326 124.4802 61.3298 62.3819 175.4662 87 E 4.1048 8.1408 121.0470 59.2841 29.6458 178.8225 88 K 3.8899 8.1816 117.9593 59.6601 32.0370 178.9709 89 L 4.0500 8.0102 120.5634 57.9538 41.8890 178.8264 90 E 3.9102 8.2730 118.5331 59.4960 29.4036 178.8059 91 D 4.3708 8.1500 118.3733 57.5158 40.8021 178.7018 92 F 4.0856 8.1051 120.4468 61.3916 39.2230 177.3932 93 K 3.7663 8.4337 116.9088 58.7415 32.0252 178.7890 94 K 4.1047 8.2465 120.3337 58.7345 31.7380 178.6721 95 L 3.9240 7.9732 119.6855 57.6417 41.6562 179.0823 96 I 3.7945 7.0128 110.2156 62.4486 37.7912 176.6023 97 Q 4.2015 7.5016 119.1605 56.6007 29.2068 176.0111 98 I 3.6815 7.1268 119.0319 60.6363 36.9149 173.8086 99 P 4.4602 0.0000 0.0000 61.9289 32.1780 177.1592 100 V 3.5606 8.5849 123.6970 65.9873 31.5145 176.5617 101 D 4.4933 7.9403 115.2459 54.1684 39.5484 175.8028 102 D 4.5039 7.7726 120.8033 53.7253 42.0815 176.2175 103 L 3.9239 8.5465 128.8393 58.1949 42.1185 178.5138 104 Q 3.9350 8.0050 119.5482 59.3520 28.9322 178.4743 105 I 3.6871 7.8602 120.1917 64.4050 37.1956 178.1237 106 Q 3.9836 8.3665 119.2086 59.0982 28.5682 179.3539 107 R 3.8953 8.1953 118.9661 59.1664 30.2214 179.1945 108 K 3.9033 8.2911 118.1898 59.4026 31.8718 178.9991 109 A 3.9672 8.4385 120.0525 55.4977 18.7436 179.2952 110 I 3.7741 7.7204 118.0732 64.6255 36.9381 178.1304 111 N 4.3472 8.0948 116.7569 56.5247 39.0634 175.8279 112 E 4.3765 7.9892 117.6281 56.4312 29.6430 177.8929 113 L 3.9760 7.6713 123.0300 58.3741 41.8997 179.2753 114 I 3.7643 7.6474 119.2200 64.1337 36.9892 178.1807 115 K 3.9201 7.9611 117.6852 59.4402 32.2211 179.0647 116 V 3.7270 7.7387 118.2546 66.4731 31.0580 177.8896 117 M 4.0664 8.0950 118.3250 58.5603 31.5169 178.3257 118 N 4.3824 8.3570 116.7704 56.3511 39.2161 176.1256 119 D 4.4771 7.9017 118.4441 56.4051 41.4121 177.5844 120 L 4.2612 7.6889 118.0806 56.9409 42.0084 177.2164 121 S 4.4556 7.6314 118.4605 58.7282 63.0144 173.8020 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 3 Q 8.19 4.34 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 4 F 8.50 4.07 0.00 3.28 3.67 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 5 F 7.82 3.63 0.00 2.14 2.65 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 6 R 7.87 4.04 0.00 2.00 1.96 0.00 3.18 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 7 E 8.37 3.97 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 2.56 2.50 0.00 8 I 7.78 3.73 1.75 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.81 0.00 0.00 9 E 7.81 3.92 0.00 2.12 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 2.27 2.36 0.00 10 N 8.23 4.45 0.00 2.94 2.83 0.00 0.00 6.90 6.27 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 11 L 8.10 4.24 0.00 1.96 1.97 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.10 4.08 0.00 1.99 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.66 7.81 13 E 7.94 3.93 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 2.36 2.41 0.00 14 Y 7.76 4.20 0.00 2.86 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 15 F 8.46 4.30 0.00 3.23 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 16 N 8.64 4.01 0.00 2.80 2.64 0.00 0.00 7.06 8.51 0.00 0.00 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 8.95 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 26 G 7.46 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 27 P 0.00 4.22 0.00 2.17 2.07 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 28 L 7.53 3.95 0.00 1.20 0.86 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.49 4.78 0.00 3.15 2.90 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 30 S 7.87 4.10 0.00 4.07 4.05 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 31 E 8.22 4.10 0.00 2.07 2.01 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 2.42 2.43 0.00 32 I 7.78 3.89 2.09 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 1.74 0.75 0.93 0.00 0.00 33 L 8.05 4.09 0.00 1.84 1.77 0.95 0.69 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 34 K 7.57 4.28 0.00 1.90 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.84 7.81 35 N 8.22 4.75 0.00 3.02 2.91 0.00 0.00 6.95 7.68 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 36 W 7.97 4.32 0.00 3.21 3.30 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 37 K 8.14 4.16 0.00 1.74 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.61 7.81 38 D 7.90 4.51 0.00 2.68 2.70 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 39 E 8.67 4.23 0.00 2.03 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 2.51 2.28 0.00 40 S 8.63 4.45 0.00 3.88 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 41 D 8.16 4.98 0.00 3.15 2.98 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 42 K 8.02 4.24 0.00 2.27 1.95 0.00 2.03 0.00 0.00 2.03 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.49 7.81 43 K 8.21 4.05 0.00 1.87 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.58 7.81 44 I 7.51 3.68 1.94 0.00 0.00 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 1.48 0.99 0.93 0.00 0.00 45 I 6.85 3.34 0.56 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.74 0.41 0.00 0.00 46 Q 8.09 3.80 0.00 2.16 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 47 S 8.32 4.42 0.00 4.23 4.11 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 0.00 0.00 0.00 48 Q 7.65 3.99 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 49 I 7.20 3.12 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.32 0.42 0.00 0.00 50 V 7.48 3.62 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 1.22 0.00 0.00 0.04 0.00 0.00 51 S 8.22 4.35 0.00 3.92 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 52 F 8.08 4.01 0.00 3.10 3.11 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 0.00 0.00 0.00 53 Y 8.03 3.49 0.00 3.05 2.25 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 0.00 54 F 8.23 3.83 0.00 3.35 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 55 K 8.08 4.00 0.00 1.73 1.74 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.69 7.81 56 L 7.70 3.70 0.00 0.96 1.33 0.73 1.09 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 57 F 8.19 4.55 0.00 2.91 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 58 E 7.95 4.17 0.00 2.08 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 2.35 2.35 0.00 59 N 7.87 4.51 0.00 3.03 2.88 0.00 0.00 7.05 5.96 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 60 L 8.11 4.58 0.00 1.89 1.88 1.08 1.08 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 61 K 7.78 4.21 0.00 1.85 1.85 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 62 D 7.94 4.48 0.00 2.75 2.73 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 63 N 7.81 4.66 0.00 2.67 2.68 0.00 0.00 6.88 7.19 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 64 Q 8.45 4.01 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 65 V 7.71 3.54 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 0.40 0.00 0.00 0.87 0.00 0.00 66 I 7.06 4.08 1.64 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.66 0.03 0.00 0.00 67 Q 7.56 3.82 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 68 R 7.74 3.81 0.00 1.90 1.83 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 69 S 7.76 4.30 0.00 3.89 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 70 M 7.83 3.26 0.00 1.17 1.77 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.03 0.00 71 D 7.81 4.27 0.00 2.97 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 72 I 7.62 3.74 2.01 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 1.53 1.35 0.98 0.00 0.00 73 I 7.66 3.79 1.82 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 1.53 0.79 1.04 0.00 0.00 74 K 8.33 3.91 0.00 1.99 1.90 0.00 1.51 0.00 0.00 1.17 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.07 0.93 7.81 75 Q 8.31 4.24 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 76 D 7.96 4.31 0.00 2.78 2.48 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 77 M 8.16 3.96 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 78 F 8.29 4.40 0.00 3.28 3.35 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 79 Q 7.96 3.32 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 80 K 8.43 4.06 0.00 1.69 1.79 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.46 7.81 81 F 8.16 4.88 0.00 2.85 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 82 L 8.16 4.26 0.00 2.02 1.69 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.13 4.28 0.00 2.70 2.76 0.00 0.00 7.29 7.65 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 84 G 7.37 2.98 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 85 S 8.10 4.42 0.00 3.90 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 86 S 8.83 4.15 0.00 3.98 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 87 E 8.14 4.10 0.00 2.07 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 2.41 2.42 0.00 88 K 8.18 3.89 0.00 1.96 1.85 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.52 7.81 89 L 8.01 4.05 0.00 1.68 1.67 0.97 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.27 3.91 0.00 2.18 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 0.00 2.31 2.58 0.00 91 D 8.15 4.37 0.00 2.90 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 92 F 8.11 4.09 0.00 3.11 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 93 K 8.43 3.77 0.00 1.69 1.83 0.00 1.95 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.59 7.81 94 K 8.25 4.10 0.00 1.74 1.84 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.59 7.81 95 L 7.97 3.92 0.00 1.69 1.57 0.91 0.61 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 96 I 7.01 3.79 1.64 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.33 0.29 0.00 0.00 97 Q 7.50 4.20 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 98 I 7.13 3.68 1.95 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 1.32 0.65 0.89 0.00 0.00 99 P 0.00 4.46 0.00 2.20 2.17 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 100 V 8.58 3.56 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 0.83 0.00 0.00 0.92 0.00 0.00 101 D 7.94 4.49 0.00 2.80 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 0.00 102 D 7.77 4.50 0.00 2.84 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 0.00 103 L 8.55 3.92 0.00 1.79 1.64 0.92 0.81 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 0.00 104 Q 8.00 3.94 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 105 I 7.86 3.69 2.00 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 1.63 0.72 0.92 0.00 0.00 106 Q 8.37 3.98 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 107 R 8.20 3.90 0.00 2.02 1.97 0.00 3.13 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 1.65 1.90 0.00 108 K 8.29 3.90 0.00 2.01 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 109 A 8.44 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 0.00 110 I 7.72 3.77 2.02 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 1.68 1.26 0.91 0.00 0.00 111 N 8.09 4.35 0.00 2.70 3.02 0.00 0.00 7.28 7.27 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 0.00 112 E 7.99 4.38 0.00 2.08 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 2.30 2.62 0.00 113 L 7.67 3.98 0.00 2.01 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.65 3.76 1.87 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 1.64 0.55 0.91 0.00 0.00 115 K 7.96 3.92 0.00 1.83 1.88 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 116 V 7.74 3.73 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 1.04 0.00 0.00 0.93 0.00 0.00 117 M 8.09 4.07 0.00 2.08 2.32 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 2.63 2.82 0.00 118 N 8.36 4.38 0.00 2.82 3.01 0.00 0.00 7.19 8.19 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 0.00 119 D 7.90 4.48 0.00 2.85 2.80 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 0.00 120 L 7.69 4.26 0.00 1.81 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.63 4.46 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.