NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3098 8.2993 121.8029 56.4619 33.0256 174.3710 4 V 4.4804 8.1138 116.4503 59.0949 34.0222 173.4481 5 C 4.9537 9.8563 123.7103 58.5022 32.8896 175.9848 6 E 4.0165 8.9065 126.1353 58.6693 29.3323 176.8620 7 I 4.1998 7.2037 118.1131 62.9216 39.2884 177.3211 8 S 3.9872 7.7568 114.0976 58.8563 63.3046 175.0201 9 G 4.6057 7.5388 107.4912 46.0781 0.0000 173.8782 10 K 4.2067 7.5278 118.3305 56.3158 32.5984 176.2675 11 R 5.0382 7.9795 116.5073 53.5933 32.4044 172.8398 12 P 4.4887 0.0000 0.0000 63.5213 31.6834 175.4008 13 I 4.6432 8.3814 114.7478 59.0422 41.2644 174.5096 14 V 4.4298 8.2785 122.9082 62.9037 32.7553 174.7351 15 A 4.6785 8.8510 126.9039 51.2622 22.9936 174.1683 16 N 5.3553 8.6750 113.5999 51.7577 42.9870 174.9840 17 S 4.5647 8.8321 115.0410 56.6264 64.2477 172.4300 18 I 4.0753 8.2614 127.8963 60.7378 37.6944 175.4003 19 Q 4.6285 8.7334 125.7290 54.3695 30.8052 174.8546 20 R 5.4298 8.4948 121.9628 53.7391 34.1101 175.2012 21 R 4.6147 8.4825 117.7010 55.7122 34.8743 175.1802 22 G 4.2219 8.9934 108.8221 44.7228 0.0000 173.9519 23 K 3.9294 8.4097 121.0126 55.7600 32.2023 177.0968 24 A 4.1567 8.5154 126.2893 52.2653 18.8106 177.7303 25 K 4.1737 8.3712 119.4376 58.2279 32.8002 178.1837 26 R 4.0869 8.1946 114.8060 59.1653 29.6678 176.1587 27 E 4.3263 8.4642 119.6816 57.2868 30.5121 178.7497 28 G 3.0100 7.0246 103.1261 43.9602 0.0000 179.4950 29 G 3.6077 8.2215 108.3584 45.0451 0.0000 173.6226 30 V 3.1520 9.0459 118.6105 60.9528 29.9177 174.5060 31 G 3.6449 7.4689 107.3693 46.6230 0.0000 172.1701 32 K 4.7247 8.2029 117.4471 54.8641 35.0306 175.3246 33 K 4.6785 8.3029 117.6180 55.5663 36.6860 176.2276 34 T 4.6618 8.5902 121.6668 63.8393 68.9268 174.3224 35 T 4.3603 9.5941 119.7564 60.5572 68.7029 173.7484 36 G 4.4046 7.2443 106.4507 45.7913 0.0000 173.8293 37 I 4.0863 7.7972 119.0587 61.9396 38.1998 177.6061 38 S 4.7385 8.4910 119.9646 56.0520 66.4708 173.8098 39 K 4.8602 8.8240 123.5786 56.9723 33.2886 175.1039 40 R 4.4963 7.8368 118.5012 56.1056 33.2296 173.0956 41 R 4.9728 8.6329 116.8850 54.5044 33.8786 175.0822 42 Q 4.6382 9.0355 122.1076 54.4620 31.0647 174.0336 43 Y 4.9147 8.6013 122.0053 55.1067 39.8566 174.2053 44 P 4.2410 0.0000 0.0000 63.0681 31.8890 175.4255 45 N 4.8643 8.6546 119.7261 52.6812 39.6635 173.4834 46 L 4.8993 8.3853 125.8944 54.2111 43.6843 175.6600 47 Q 4.6705 8.1251 116.9339 54.2078 32.1207 175.2457 48 K 4.4202 8.4508 119.7227 55.2756 32.7916 176.7015 49 V 4.1344 8.2736 126.3863 62.2007 33.0463 174.8632 50 R 5.1710 8.7635 126.5793 54.4212 31.8303 175.5081 51 V 4.2330 8.5129 122.9658 61.1228 35.0447 176.4239 52 R 3.8754 8.9915 120.4063 56.7199 29.0048 177.4725 53 V 3.5322 8.6577 119.8734 64.0612 34.6136 172.8980 54 A 3.5423 8.9047 126.1462 52.9546 18.5794 178.3722 55 G 3.9875 9.0249 108.7806 46.0443 0.0000 173.1982 56 Q 4.2460 7.8269 118.5525 55.1897 30.0323 173.9660 57 E 4.4725 8.0779 120.0252 55.5477 32.0196 174.9533 58 I 4.1978 7.8831 119.5585 60.2889 41.7438 173.2191 59 T 4.9569 8.2599 119.6329 60.1871 71.2283 174.1099 60 F 5.1584 8.9429 121.2033 55.3300 42.9334 176.2742 61 R 4.5612 10.6316 128.3665 55.7516 27.4008 177.2132 62 V 4.1903 7.6781 119.1260 60.9103 33.5951 177.1933 63 A 4.5139 8.1949 124.5791 52.3340 19.8774 176.6200 64 A 4.4457 8.1452 115.0147 54.5442 20.0546 179.8077 65 S 4.4362 8.0839 106.1095 60.1501 62.8436 174.0822 66 H 4.7476 7.7983 115.7597 54.4144 30.8878 174.7343 67 I 3.6515 7.8914 121.7260 64.0901 37.0598 175.8975 68 P 4.1887 0.0000 0.0000 65.5827 31.3569 178.1263 69 K 3.7638 7.3752 117.6974 57.9287 32.4841 177.8001 70 V 3.7675 8.0527 118.2370 66.4221 31.7950 177.0583 71 Y 4.1027 8.2398 115.8867 61.3363 37.6999 178.4131 72 E 3.6904 8.3764 119.2866 58.7171 29.8396 177.4505 73 L 4.3192 8.2832 119.1099 55.7212 42.1116 177.5405 74 V 4.0575 8.2025 117.0631 64.6964 31.5791 176.9396 75 E 4.0844 7.7274 119.5576 59.5272 28.3569 178.5060 76 R 3.9273 7.9892 117.3836 59.3702 29.9803 178.3971 77 A 4.2481 7.3213 117.6937 55.6636 18.3031 179.0937 78 K 3.9706 7.5906 114.2076 59.5997 33.5553 178.9223 79 G 3.9131 7.4607 109.8618 43.9133 0.0000 171.6215 80 L 4.2719 7.1753 122.0828 54.8836 45.2820 173.4079 81 K 4.5716 8.4942 121.2870 54.5610 33.3466 176.3722 82 L 4.6350 7.7855 122.9741 53.5249 45.8765 175.4575 83 E 4.5485 8.8001 120.0820 57.8652 34.4652 173.4085 84 G 3.7067 7.6067 114.1526 47.3976 0.0000 174.7912 85 L 4.2777 6.7513 129.1254 58.1726 38.6145 177.6202 86 S 5.7457 8.6887 114.6138 56.2198 63.7435 175.2118 87 P 4.0530 0.0000 0.0000 66.9885 31.5575 177.7323 88 K 4.0381 7.8583 120.2516 57.5697 32.7339 178.1203 89 E 4.4431 7.9690 116.6951 57.1399 30.2844 177.3682 90 I 4.0212 7.9892 120.4428 63.0868 38.7242 177.5940 91 K 3.9568 7.9744 121.2335 59.6242 32.0656 178.2653 92 K 3.8684 7.8557 117.7654 59.8723 31.9987 177.5946 93 E 4.2801 7.8299 113.9548 57.4272 29.0805 177.1429 94 L 4.5288 7.6928 119.2576 55.6212 42.0531 176.2240 95 L 3.4500 8.1706 118.5395 56.7389 41.2398 174.5251 *96 K 4.1330 7.8983 122.3421 55.1719 32.3453 179.9104 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 K 8.30 4.31 0.00 1.75 1.80 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 V 8.11 4.48 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 0.77 0.00 0.00 0.96 0.00 0.00 5 C 9.86 4.95 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.91 4.02 0.00 2.16 2.15 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 2.39 2.41 0.00 7 I 7.20 4.20 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.90 0.00 0.00 8 S 7.76 3.99 0.00 3.68 3.37 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 9 G 7.54 4.61 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 0.00 0.00 0.00 10 K 7.53 4.21 0.00 1.82 1.73 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 11 R 7.98 5.04 0.00 1.85 1.84 0.00 3.04 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 1.47 1.58 0.00 12 P 0.00 4.49 0.00 1.74 1.87 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 13 I 8.38 4.64 1.81 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 1.20 0.79 0.90 0.00 0.00 14 V 8.28 4.43 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 0.81 0.00 0.00 0.89 0.00 0.00 15 A 8.85 4.68 1.19 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 0.00 0.00 16 N 8.68 5.36 0.00 2.56 2.70 0.00 0.00 6.51 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 17 S 8.83 4.56 0.00 3.86 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 18 I 8.26 4.08 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 1.34 0.53 0.91 0.00 0.00 19 Q 8.73 4.63 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 20 R 8.49 5.43 0.00 1.65 1.80 0.00 3.23 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 21 R 8.48 4.61 0.00 1.70 1.75 0.00 3.09 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 22 G 8.99 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 0.00 0.00 0.00 0.00 23 K 8.41 3.93 0.00 1.76 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 24 A 8.52 4.16 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 25 K 8.37 4.17 0.00 1.73 1.84 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 26 R 8.19 4.09 0.00 1.95 2.06 0.00 3.07 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 27 E 8.46 4.33 0.00 1.97 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 2.26 2.29 0.00 28 G 7.02 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.22 3.61 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 0.00 0.00 0.00 30 V 9.05 3.15 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 7.47 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.20 4.72 0.00 1.73 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.42 7.81 33 K 8.30 4.68 0.00 1.69 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.42 7.81 34 T 8.59 4.66 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 35 T 9.59 4.36 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 36 G 7.24 4.40 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 0.00 37 I 7.80 4.09 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 1.40 0.58 0.91 0.00 0.00 38 S 8.49 4.74 0.00 3.91 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 39 K 8.82 4.86 0.00 1.77 1.76 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.49 7.81 40 R 7.84 4.50 0.00 1.87 2.00 0.00 2.78 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 41 R 8.63 4.97 0.00 1.49 1.19 0.00 3.16 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 42 Q 9.04 4.64 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 43 Y 8.60 4.91 0.00 2.82 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 44 P 0.00 4.24 0.00 2.21 2.08 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 45 N 8.65 4.86 0.00 2.85 2.78 0.00 0.00 6.56 6.66 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 46 L 8.39 4.90 0.00 1.84 1.70 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.13 4.67 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 48 K 8.45 4.42 0.00 1.65 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.44 7.81 49 V 8.27 4.13 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 1.31 0.00 0.00 1.02 0.00 0.00 50 R 8.76 5.17 0.00 1.73 1.82 0.00 3.22 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 51 V 8.51 4.23 2.06 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 0.96 0.00 0.00 0.65 0.00 0.00 52 R 8.99 3.88 0.00 1.76 1.74 0.00 3.43 0.00 0.00 3.13 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 53 V 8.66 3.53 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 0.76 0.00 0.00 0.98 0.00 0.00 54 A 8.90 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.02 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 56 Q 7.83 4.25 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 57 E 8.08 4.47 0.00 1.94 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 2.18 2.26 0.00 58 I 7.88 4.20 1.79 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 0.62 0.66 1.04 0.00 0.00 59 T 8.26 4.96 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 60 F 8.94 5.16 0.00 3.03 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 61 R 10.63 4.56 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 62 V 7.68 4.19 2.12 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 0.93 0.00 0.00 1.00 0.00 0.00 63 A 8.19 4.51 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 64 A 8.15 4.45 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 65 S 8.08 4.44 0.00 4.01 4.01 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 0.00 0.00 0.00 66 H 7.80 4.75 0.00 3.21 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.89 3.65 1.78 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 1.60 0.60 0.75 0.00 0.00 68 P 0.00 4.19 0.00 2.19 2.19 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 69 K 7.38 3.76 0.00 1.65 1.89 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 70 V 8.05 3.77 2.37 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 1.04 0.00 0.00 0.81 0.00 0.00 71 Y 8.24 4.10 0.00 3.12 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 72 E 8.38 3.69 0.00 2.02 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 2.39 2.32 0.00 73 L 8.28 4.32 0.00 1.87 1.67 0.82 0.78 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 74 V 8.20 4.06 2.12 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 0.82 0.00 0.00 0.92 0.00 0.00 75 E 7.73 4.08 0.00 2.20 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 2.31 2.39 0.00 76 R 7.99 3.93 0.00 1.89 1.97 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 77 A 7.32 4.25 1.41 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 78 K 7.59 3.97 0.00 1.95 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.65 7.81 79 G 7.46 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 80 L 7.18 4.27 0.00 1.63 1.63 0.93 0.67 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 81 K 8.49 4.57 0.00 1.77 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.37 7.81 82 L 7.79 4.63 0.00 1.56 1.52 0.96 0.95 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 83 E 8.80 4.55 0.00 1.88 1.85 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 2.07 2.20 0.00 84 G 7.61 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 85 L 6.75 4.28 0.00 1.67 1.65 0.91 1.03 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 86 S 8.69 5.75 0.00 3.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 2.17 2.22 0.00 4.05 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 2.06 1.97 0.00 88 K 7.86 4.04 0.00 1.78 1.83 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.45 7.81 89 E 7.97 4.44 0.00 2.09 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 2.35 2.31 0.00 90 I 7.99 4.02 2.00 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 1.47 1.18 0.94 0.00 0.00 91 K 7.97 3.96 0.00 1.74 1.83 0.00 1.37 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.56 1.34 7.81 92 K 7.86 3.87 0.00 1.96 1.85 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 93 E 7.83 4.28 0.00 2.12 1.99 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 2.57 2.40 0.00 94 L 7.69 4.53 0.00 2.05 1.73 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.17 3.45 0.00 1.69 1.69 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.90 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.