NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7461 8.2676 118.2157 52.5763 38.8810 174.8104 3 T 3.7207 8.2405 108.2126 64.5679 68.3991 175.0197 4 I 3.7540 8.6058 123.5685 64.0779 37.6179 178.9817 5 D 4.2897 8.8906 120.2593 57.5401 40.6923 179.0017 6 I 3.7397 7.7359 119.8196 64.3255 37.0542 178.3843 7 A 4.1637 8.3324 121.8526 55.2032 18.1482 179.8874 8 K 3.8974 8.3820 117.4719 59.4852 32.0426 179.5873 9 S 4.0933 8.2552 113.5919 61.3224 62.3167 175.5087 10 Y 4.1233 8.2798 122.2486 60.9051 38.5238 178.2505 11 I 3.6837 8.2329 120.6733 64.7617 37.2288 178.5108 12 T 3.8660 8.3001 116.5900 66.6630 68.1576 176.5415 13 A 3.9834 8.0955 122.6200 54.9952 18.4570 179.6550 14 I 3.5891 7.6325 118.3257 64.8366 37.0011 178.7650 15 Q 4.0904 8.2549 117.8453 58.2494 28.5818 177.8924 16 T 4.4743 7.9037 108.0801 60.3605 69.3934 174.5863 17 G 3.8284 7.6562 108.6735 47.2972 0.0000 175.2864 18 D 4.5665 8.1287 121.2158 53.1155 39.9819 175.0909 19 H 4.3534 8.3477 122.9914 58.0011 28.9401 176.8225 20 A 4.0155 8.0779 122.4662 55.4631 18.2116 179.6708 21 T 3.8452 8.0831 113.8807 66.8575 68.4516 176.9767 22 L 4.2210 7.9041 120.5881 57.8582 41.4642 179.7751 23 G 3.7129 8.4722 104.4155 46.8032 0.0000 174.9241 24 S 4.6192 7.3713 115.8446 59.7501 64.3218 175.6518 25 I 4.1674 8.2123 114.5652 60.6701 37.9098 175.2833 26 I 4.4104 7.0259 122.6323 59.7837 38.2666 175.6518 27 S 4.1933 8.8512 120.4468 57.9462 62.9441 173.4753 28 P 4.3146 0.0000 0.0000 65.3014 31.2579 177.2125 29 D 4.7152 7.8447 116.8688 53.6999 41.2510 176.7097 30 V 3.9322 7.6337 119.9003 62.5699 32.5298 174.8372 31 I 4.7657 8.7026 125.2537 59.6547 39.0899 174.3633 32 W 4.8908 9.6007 135.0000 55.9592 33.3840 174.0067 33 H 5.2334 9.3246 126.4478 54.5547 29.9531 173.9252 34 Q 4.9224 9.1033 126.8957 53.5194 30.7030 173.5825 35 P 4.5284 0.0000 0.0000 62.9962 32.6719 176.0184 36 G 3.9433 9.4710 104.5664 44.5967 0.0000 173.0047 37 N 5.0185 8.9386 111.3278 52.2949 39.6349 171.6676 38 H 5.0640 8.4486 115.2228 53.4733 32.4902 174.8197 39 Q 3.8338 8.6459 116.9745 58.4530 28.1009 177.1735 40 F 4.7582 7.6565 114.9375 57.1488 39.6755 176.0353 41 S 4.2805 7.5289 117.6254 59.0857 63.2871 172.4845 42 G 3.6268 8.6124 108.2466 44.4960 0.0000 172.2733 43 T 4.9855 8.1405 115.4120 62.3156 69.9514 174.5007 44 H 5.0701 9.4680 123.3593 53.8945 32.4460 172.8045 45 R 4.7870 8.6495 121.5213 55.7840 32.4805 175.6983 46 G 4.2387 9.1370 112.9341 44.2448 0.0000 174.3680 *48 A 4.1835 8.3476 120.9655 51.7169 20.6925 177.8853 49 V 3.9597 7.5762 113.5949 64.8607 32.5581 177.2147 50 V 3.3175 7.9697 118.7318 65.6950 31.7675 177.2860 51 G 3.6824 8.0383 108.3809 48.3267 0.0000 175.8784 52 P 4.2393 0.0000 0.0000 61.7291 30.7688 178.5906 *54 L 3.8191 8.1232 119.8461 54.6615 43.5323 178.8648 55 G 3.6013 7.8696 106.6507 48.3859 0.0000 174.7427 56 K 4.1515 7.7854 123.4894 56.1557 29.9820 176.4796 *59 E 4.2639 8.3120 122.5023 55.8828 31.6720 178.5930 60 V 3.6596 8.4410 117.3152 65.7097 31.7737 176.6534 61 S 4.2729 8.3044 112.0492 57.2164 63.2850 173.2808 62 N 4.1626 8.7641 118.1082 55.0518 37.5104 174.6444 63 G 4.0471 8.4581 101.1341 46.2326 0.0000 174.9963 64 T 4.3287 7.9879 110.4622 61.8458 69.7729 174.7366 65 F 4.6329 8.4256 125.0363 58.4069 39.9964 173.6621 66 A 4.4757 7.7812 128.4813 50.4628 23.0440 175.5047 67 I 4.4579 8.2145 122.1919 60.5808 36.2935 175.9928 68 S 4.3316 8.8384 123.2318 60.5477 64.0705 174.8228 69 R 4.6300 7.7979 119.6460 55.0967 33.3813 173.0651 70 A 4.4988 8.6906 127.8826 51.0825 20.4845 174.5128 71 D 4.5308 9.4258 123.5460 54.0141 41.0672 176.0228 72 D 5.1304 8.1441 118.1213 53.0592 44.8908 175.3587 73 Y 5.0472 8.9401 118.0265 55.3076 40.7002 174.9860 *75 A 4.3151 8.0930 122.9481 52.4081 19.8300 176.8075 76 S 4.4084 9.2427 117.0502 57.7343 65.4999 174.1332 77 G 3.7535 8.3477 119.2520 47.5245 0.0000 173.2938 78 D 4.6448 8.7498 124.6923 53.8489 41.1453 175.2646 79 W 5.2153 8.2088 120.4251 55.3372 31.6350 175.3844 80 V 4.8146 9.2035 122.4317 61.1633 33.8879 173.9275 81 A 5.1009 8.7168 129.2624 50.6219 21.2633 175.4180 82 I 4.7468 8.7954 123.9127 59.5266 40.0521 175.0594 83 T 4.7622 8.4135 118.6015 61.1845 70.6493 173.8954 84 L 4.7597 8.4782 123.3365 55.3431 44.7678 172.7536 85 E 5.1540 9.4250 120.3094 54.2434 32.4442 174.5424 86 F 5.5525 8.5729 121.1445 55.3278 41.8678 173.7005 87 S 5.2740 7.9427 113.7268 56.6239 67.1594 172.7716 88 G 4.4256 7.8104 108.0040 46.4720 0.0000 171.8732 89 Q 5.2045 8.7612 121.4735 55.5129 31.8706 173.3676 90 A 4.2967 9.4528 127.8496 52.1917 22.3785 175.1086 91 N 4.1859 9.7431 114.3603 54.2830 36.2458 175.8803 92 G 3.8794 8.4537 103.2718 45.5629 0.0000 173.9075 93 V 4.2434 8.0951 120.6299 61.0780 32.9790 174.5173 94 T 4.6812 8.4457 124.2926 61.9664 69.1536 173.7878 95 L 4.5447 8.8474 130.4263 53.6040 43.8523 175.6298 96 K 4.3596 8.4325 126.9044 56.4276 34.6926 174.2302 97 Q 4.4534 8.1830 124.0361 54.8636 32.2896 173.5968 98 A 4.5021 8.2016 122.2039 52.6221 20.0835 176.5212 99 G 4.6823 9.1318 106.4666 45.5029 0.0000 171.8574 100 V 5.0963 8.9785 118.7770 61.2532 35.1333 173.5518 101 D 5.3113 9.1943 127.8375 52.8498 43.0813 175.1799 102 L 5.2780 9.1051 124.0729 53.1290 44.1451 175.3809 103 L 5.1197 9.1898 124.2443 52.8197 45.0065 175.3115 104 R 4.0997 8.4082 124.1167 54.3471 31.7951 174.7533 105 I 4.9386 8.2541 127.1380 59.5384 40.3759 175.1342 106 E 4.5044 9.0281 125.6598 56.1000 33.3845 175.2958 107 D 4.4432 9.8922 122.8551 55.4486 38.5297 174.7586 108 G 3.9871 8.6914 104.5697 45.3183 0.0000 173.9646 109 K 4.7395 7.7767 118.3639 54.1753 35.9540 175.5561 110 I 4.3156 8.5403 123.5217 61.5655 37.3034 176.8057 111 V 4.3287 8.7578 121.4338 61.8979 33.5997 175.7295 112 E 5.0907 7.5921 120.2995 54.6565 33.4052 173.8316 113 V 4.7263 8.9824 125.5337 61.0310 35.0718 174.0159 114 R 4.7841 9.2359 127.7615 54.6177 32.9207 173.7342 115 L 5.1641 8.0918 126.0298 53.3102 44.0181 176.0892 116 F 4.9631 9.1856 119.8605 55.9387 43.1239 174.1037 117 S 5.4672 8.8820 117.3812 56.8223 65.7632 174.2838 118 A 4.1457 9.0296 125.1451 54.2962 19.1636 177.4823 119 D 4.6187 9.1510 115.1729 51.7342 41.7626 175.2599 120 Q 4.2101 8.4345 125.9130 58.6248 29.3339 177.2132 121 T 3.9276 8.0085 116.7245 66.6270 68.5635 176.1153 122 Q 3.9950 8.4391 121.4511 59.2046 29.1185 177.8097 123 E 4.0475 8.3419 120.4165 59.3327 29.6998 178.3666 124 D 4.6292 8.7809 119.2671 57.5744 40.7095 178.7776 125 A 4.0725 7.8042 119.6794 54.8670 18.4357 179.0175 126 F 4.1693 8.1348 118.3781 61.5345 39.5094 177.1982 127 W 4.5994 8.0793 117.0586 57.5023 29.3638 177.6243 128 G 3.9147 8.5163 106.8174 45.0329 0.0000 173.7685 129 R 4.1445 8.2803 116.3331 56.2243 30.3451 176.6511 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 N 8.27 4.75 0.00 2.96 3.05 0.00 0.00 5.88 6.34 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 3 T 8.24 3.72 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 1.18 0.00 0.00 4 I 8.61 3.75 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.72 0.80 0.00 0.00 5 D 8.89 4.29 0.00 2.82 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 6 I 7.74 3.74 2.01 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 1.46 0.76 0.92 0.00 0.00 7 A 8.33 4.16 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 3.90 0.00 1.75 1.68 0.00 1.37 0.00 0.00 1.28 0.00 0.00 2.46 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.66 7.81 9 S 8.26 4.09 0.00 3.93 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 10 Y 8.28 4.12 0.00 3.18 3.25 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 11 I 8.23 3.68 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.12 1.02 0.00 0.00 12 T 8.30 3.87 4.43 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 1.22 0.00 0.00 13 A 8.10 3.98 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 14 I 7.63 3.59 1.87 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.94 0.00 0.00 15 Q 8.25 4.09 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 16 T 7.90 4.47 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 1.23 0.00 0.00 17 G 7.66 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 0.00 0.00 0.00 18 D 8.13 4.57 0.00 2.78 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 19 H 8.35 4.35 0.00 3.21 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.08 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 3.85 4.42 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 0.00 0.00 0.00 1.26 0.00 0.00 22 L 7.90 4.22 0.00 1.91 1.77 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.47 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 0.00 0.00 0.00 24 S 7.37 4.62 0.00 4.09 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 25 I 8.21 4.17 1.93 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 1.87 0.84 1.00 0.00 0.00 26 I 7.03 4.41 2.05 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 1.03 0.00 0.00 27 S 8.85 4.19 0.00 3.79 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 28 P 0.00 4.31 0.00 2.21 2.09 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 29 D 7.84 4.72 0.00 2.67 2.66 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 30 V 7.63 3.93 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 0.95 0.00 0.00 1.15 0.00 0.00 31 I 8.70 4.77 1.87 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 1.13 0.71 0.82 0.00 0.00 32 W 9.60 4.89 0.00 3.44 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.32 5.23 0.00 2.95 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.10 4.92 0.00 2.48 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 35 P 0.00 4.53 0.00 2.26 1.92 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 36 G 9.47 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 37 N 8.94 5.02 0.00 2.87 2.74 0.00 0.00 6.67 9.02 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 38 H 8.45 5.06 0.00 3.60 3.67 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.65 3.83 0.00 1.76 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.83 0.00 0.00 0.00 0.00 0.00 2.00 1.16 0.00 40 F 7.66 4.76 0.00 2.85 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 41 S 7.53 4.28 0.00 3.87 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 42 G 8.61 3.63 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 0.00 0.00 0.00 43 T 8.14 4.99 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 1.19 0.00 0.00 44 H 9.47 5.07 0.00 3.01 3.11 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.65 4.79 0.00 1.76 1.77 0.00 3.46 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 46 G 9.14 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 0.00 0.00 0.00 0.00 *48 A 8.35 4.18 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 49 V 7.58 3.96 2.31 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 0.75 0.00 0.00 0.91 0.00 0.00 50 V 7.97 3.32 1.91 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 0.06 0.00 0.00 0.80 0.00 0.00 51 G 8.04 3.68 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 0.00 0.00 0.00 52 P 0.00 4.24 0.00 2.10 2.01 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 *54 L 8.12 3.82 0.00 1.56 1.54 0.66 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.87 3.60 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 0.00 0.00 0.00 56 K 7.79 4.15 0.00 1.97 1.66 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.28 7.81 *59 E 8.31 4.26 0.00 2.40 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 2.30 1.88 0.00 60 V 8.44 3.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.25 0.00 0.00 61 S 8.30 4.27 0.00 4.25 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 62 N 8.76 4.16 0.00 2.85 2.92 0.00 0.00 7.06 8.00 0.00 0.00 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 G 8.46 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 0.00 0.00 0.00 64 T 7.99 4.33 4.33 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 1.38 0.00 0.00 65 F 8.43 4.63 0.00 3.31 3.36 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 66 A 7.78 4.48 1.10 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 67 I 8.21 4.46 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.95 0.00 0.00 68 S 8.84 4.33 0.00 3.84 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 69 R 7.80 4.63 0.00 1.85 1.74 0.00 3.13 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 70 A 8.69 4.50 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 71 D 9.43 4.53 0.00 2.58 2.52 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 72 D 8.14 5.13 0.00 2.54 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.94 5.05 0.00 2.91 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 *75 A 8.09 4.32 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 76 S 9.24 4.41 0.00 3.82 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 77 G 8.35 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 78 D 8.75 4.64 0.00 2.50 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 79 W 8.21 5.22 0.00 3.49 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 80 V 9.20 4.81 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 1.22 0.00 0.00 0.99 0.00 0.00 81 A 8.72 5.10 1.22 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 82 I 8.80 4.75 1.81 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.78 0.28 0.00 0.00 83 T 8.41 4.76 4.20 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 0.00 0.00 1.16 0.00 0.00 84 L 8.48 4.76 0.00 1.96 1.77 1.18 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.42 5.15 0.00 1.92 1.74 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 2.02 2.06 0.00 86 F 8.57 5.55 0.00 2.84 2.99 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 87 S 7.94 5.27 0.00 3.80 3.84 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 88 G 7.81 4.43 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 0.00 89 Q 8.76 5.20 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 90 A 9.45 4.30 0.78 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 91 N 9.74 4.19 0.00 2.81 2.83 0.00 0.00 7.00 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 92 G 8.45 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 0.00 0.00 0.00 93 V 8.10 4.24 2.40 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 1.09 0.00 0.00 1.05 0.00 0.00 94 T 8.45 4.68 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 1.20 0.00 0.00 95 L 8.85 4.54 0.00 1.22 1.35 0.88 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.43 4.36 0.00 1.69 1.55 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.24 7.81 97 Q 8.18 4.45 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 98 A 8.20 4.50 1.22 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 99 G 9.13 4.68 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 0.00 0.00 0.00 100 V 8.98 5.10 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 0.93 0.00 0.00 0.87 0.00 0.00 101 D 9.19 5.31 0.00 2.78 2.61 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 0.00 0.00 0.00 0.00 102 L 9.11 5.28 0.00 1.96 1.85 0.99 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.19 5.12 0.00 1.48 1.33 0.65 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.41 4.10 0.00 0.67 0.98 0.00 2.69 0.00 0.00 2.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.65 0.00 105 I 8.25 4.94 1.77 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 1.12 0.63 0.90 0.00 0.00 106 E 9.03 4.50 0.00 1.85 1.71 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 2.13 2.12 0.00 107 D 9.89 4.44 0.00 2.75 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 0.00 108 G 8.69 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 0.00 109 K 7.78 4.74 0.00 1.76 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 110 I 8.54 4.32 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.46 0.69 0.00 0.00 111 V 8.76 4.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.81 0.00 0.00 112 E 7.59 5.09 0.00 1.89 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 2.47 2.53 0.00 113 V 8.98 4.73 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 -0.40 0.00 0.00 0.61 0.00 0.00 114 R 9.24 4.78 0.00 1.90 1.77 0.00 3.09 0.00 0.00 2.79 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.30 0.00 115 L 8.09 5.16 0.00 1.51 1.54 1.03 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 116 F 9.19 4.96 0.00 3.14 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 0.00 117 S 8.88 5.47 0.00 4.11 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.03 4.15 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 0.00 119 D 9.15 4.62 0.00 2.58 2.49 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 0.00 120 Q 8.43 4.21 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 121 T 8.01 3.93 4.43 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 1.25 0.00 0.00 122 Q 8.44 4.00 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 123 E 8.34 4.05 0.00 2.36 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 2.50 2.65 0.00 124 D 8.78 4.63 0.00 3.03 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 0.00 125 A 7.80 4.07 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 0.00 126 F 8.13 4.17 0.00 2.94 3.03 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 0.00 127 W 8.08 4.60 0.00 3.25 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 0.00 128 G 8.52 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 0.00 0.00 0.00 129 R 8.28 4.14 0.00 1.79 1.81 0.00 3.39 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.