NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.8427 8.3431 109.7340 43.7450 0.0000 175.3951 8 G 3.6352 7.6729 107.4126 45.9111 0.0000 170.0354 9 G 3.8714 7.3801 108.1018 45.8193 0.0000 169.4388 10 V 4.4724 7.9474 120.4983 60.1739 34.2796 175.2996 11 T 5.1477 8.1823 118.7714 61.9045 72.0100 172.9817 12 F 4.7837 9.1229 124.5735 56.0850 41.1533 174.7130 13 C 5.0680 8.6606 120.2131 59.1301 31.8129 175.3513 14 G 3.8869 9.2639 110.9803 44.7292 0.0000 173.4678 15 G 3.7552 8.4713 105.9775 48.2384 0.0000 175.8817 16 E 3.9821 8.3891 120.2222 58.8936 29.7357 176.9236 17 P 4.4030 0.0000 0.0000 65.6561 31.1917 178.2395 18 L 4.1955 7.6187 116.3725 56.6227 41.6731 178.3610 19 L 4.3432 7.7553 117.4940 55.2738 43.2796 176.3185 20 H 5.0456 8.1040 116.1333 53.5247 29.3338 172.6898 21 P 4.2258 0.0000 0.0000 65.9283 31.6754 178.1795 22 E 3.8973 8.1393 118.6838 58.8316 29.5703 178.3080 23 F 4.1309 8.2352 120.1976 61.1619 39.4512 176.4072 24 L 3.3840 8.2442 120.2683 58.2881 41.7645 179.0887 25 I 3.5762 7.6012 119.4545 64.2060 36.9823 177.9189 26 D 4.2223 8.0252 118.8462 57.4258 40.9831 178.4705 27 I 3.5643 7.4530 120.3933 64.1781 37.0165 178.2903 28 L 3.9905 8.0275 120.2191 57.8189 41.4821 179.7122 29 K 3.9138 8.3156 118.5967 59.5998 31.8568 179.5403 30 R 4.0724 8.0270 118.1447 59.6068 30.0146 178.9685 31 C 4.2738 8.4740 116.8568 62.6558 28.1024 176.3596 32 G 3.6544 8.3040 107.4582 47.9854 0.0000 175.7091 33 Q 4.0749 7.8465 119.4040 58.5770 28.8280 178.1273 34 Q 4.3763 7.6903 116.1262 55.4474 28.9564 176.4310 35 G 3.8748 7.8417 108.0533 46.2000 0.0000 173.3341 36 I 4.2894 7.5856 120.3259 59.8315 38.2336 175.6093 37 H 4.4732 8.9057 126.9267 56.4608 31.3253 173.9254 38 R 5.2062 9.1302 123.4841 54.3581 33.6931 174.1928 39 A 5.2567 9.0681 125.1862 50.0901 22.5876 174.9459 40 V 4.8655 8.5304 120.6692 61.0125 35.0826 173.9648 41 D 5.6131 9.6226 129.0043 53.7384 41.4578 175.5977 42 T 4.5563 8.4369 115.4573 61.7163 69.4285 176.0098 43 T 3.8529 8.2942 120.4463 67.3428 68.3957 175.0501 44 L 4.5333 7.7262 116.7818 54.2861 41.8429 176.3610 45 L 4.0879 7.7712 120.3923 54.6560 41.8067 177.0738 46 A 4.1073 8.7566 127.4098 54.5660 19.1927 178.0603 47 R 4.5262 7.6630 115.4849 54.4373 32.2619 177.6109 48 K 3.9714 8.6400 124.0489 60.0559 32.5661 179.0547 49 E 3.9577 8.1146 118.2441 59.4907 29.3914 179.2247 50 T 3.8756 7.7622 116.3150 66.2077 68.4096 176.7080 51 V 3.4990 7.3922 118.9855 66.1169 31.5940 177.4608 52 D 4.3698 7.8463 117.2817 57.4066 40.7427 178.1799 53 E 4.0619 7.9139 118.6155 58.8745 29.8164 179.8246 54 V 3.5777 7.8655 117.5245 63.1811 31.4548 177.5716 *56 R 4.3020 7.9924 116.1872 55.3345 31.8052 175.7073 57 N 5.0872 8.1374 115.2528 52.2565 39.7108 173.3223 58 C 4.6991 7.9763 111.4227 57.8404 32.3170 172.7162 59 E 4.4741 8.6332 118.3489 57.3682 30.5255 176.8413 60 L 4.6380 7.7502 119.7603 53.9535 45.6394 173.7928 61 L 5.2866 9.0124 125.7664 53.2702 44.6890 175.2535 62 L 5.3217 8.8790 121.8501 53.1458 44.9154 175.6613 63 I 5.0532 8.9251 123.7982 59.6133 41.2594 174.2749 64 D 5.0280 9.1001 127.2073 53.9127 41.7343 176.6672 65 L 4.6410 8.7519 125.8006 53.0613 41.2930 175.9410 66 K 4.1792 8.5383 122.8025 58.8689 33.1774 176.9725 67 S 4.1804 7.4364 111.7603 56.6835 64.9664 173.8584 *69 D 4.2861 8.5043 118.4710 54.1985 41.9827 176.6780 70 S 4.0863 8.4960 122.2528 61.5510 62.4545 176.0779 71 T 3.9044 8.0936 118.7981 66.4212 68.2083 176.7645 72 V 3.7360 8.0130 119.7115 66.3853 31.5092 177.3017 73 H 4.0892 8.4591 118.0170 59.4031 29.6979 176.9973 74 Q 4.3393 8.5236 123.0924 58.9840 28.6456 178.3134 75 T 3.8081 8.0017 115.9724 66.2052 68.6185 175.8904 76 F 4.4820 8.2472 117.0499 57.7625 39.5787 176.2341 77 C 4.7001 8.2781 114.4575 58.4287 29.6720 174.4048 78 D 5.1421 8.4307 118.2694 54.5489 38.6294 173.6782 79 V 4.5557 7.2179 117.2434 59.4285 34.3401 172.5196 80 P 4.4444 0.0000 0.0000 62.7858 32.0822 176.2852 81 N 4.3938 8.4615 115.2879 53.0669 37.5298 176.6933 82 E 3.8506 7.9580 122.0185 59.8587 29.5308 178.7549 83 L 3.9667 7.7972 119.5759 58.0175 42.2127 178.7564 84 I 3.6810 7.6399 119.3386 64.4742 37.1305 178.2531 85 L 3.9435 7.9764 119.7984 57.4748 41.2952 179.3623 86 K 3.9447 8.0704 119.6332 59.7487 32.1520 178.6030 87 N 4.3110 8.4409 116.8609 56.2738 38.4304 177.5349 88 I 3.5618 7.8582 121.2884 64.3129 37.1579 178.4098 89 R 3.8200 8.1686 119.5556 59.3569 29.9453 178.5172 90 R 3.8268 8.2140 118.7204 59.3826 29.6792 178.6911 91 V 3.4911 7.7587 117.7879 65.8307 31.4867 177.7754 92 A 4.0709 7.7577 120.4735 55.4038 18.0375 179.5337 93 E 4.0346 8.3510 115.6430 58.8339 29.6082 178.5068 94 A 4.2047 7.7150 118.6508 51.4774 19.3466 176.2282 95 D 4.3750 7.9395 116.0611 55.4830 40.2285 173.0563 96 F 4.8633 7.7952 118.4469 55.0923 42.3906 172.5642 97 P 4.6296 0.0000 0.0000 63.2226 32.3038 174.6333 98 Y 5.5534 8.4586 119.8961 55.9154 41.8986 173.0748 99 Y 5.3259 9.2258 118.5416 56.5662 41.3244 174.6081 100 I 5.0941 8.4149 123.2731 59.7806 40.0241 174.7031 101 R 5.0917 8.9892 125.7139 54.5135 33.0263 175.1726 102 I 4.6743 8.8103 124.5710 58.5987 39.7862 172.8739 103 P 4.6629 0.0000 0.0000 62.5144 31.9940 175.8258 104 L 4.6639 9.0296 128.4016 53.5749 43.9136 175.2253 105 I 4.6612 9.0607 128.2204 59.0042 40.2873 175.0901 106 E 4.1140 8.6794 129.5805 57.5179 29.7278 176.9739 107 G 4.0736 9.1284 114.2613 46.2265 0.0000 173.3518 108 V 4.0047 7.6060 116.6809 64.0196 33.0733 176.7319 109 N 4.8618 7.7705 110.1994 53.5425 38.7034 174.1367 110 A 4.4782 7.8448 120.0925 52.3307 19.5632 178.2277 111 D 4.5185 7.6567 117.9329 53.3118 41.4678 176.6705 112 E 3.9016 8.8039 122.2647 59.4385 29.5003 179.1010 113 K 3.8572 8.0068 118.9510 59.6793 32.2468 178.0230 114 N 4.2540 8.3456 117.1319 56.8310 38.7775 176.9106 115 I 3.7160 7.7605 121.1863 64.1650 37.0881 178.5984 116 K 3.8607 8.4618 119.8432 59.4292 31.9212 179.3986 117 L 3.9430 8.1897 119.5567 57.7721 41.4852 179.7550 118 S 4.1534 8.3135 115.0763 61.5796 62.8171 176.6194 119 A 3.8556 8.0206 123.5503 55.1743 17.8236 179.5531 120 E 3.7601 7.7488 116.2822 59.2007 29.5790 179.1394 121 F 4.3728 8.2813 120.6378 61.4250 39.6262 177.2435 122 L 3.6842 8.0956 118.3319 57.6910 41.2207 179.4566 123 A 3.8866 8.1806 120.2017 54.8523 18.3655 179.3218 124 S 4.2539 7.5422 111.3078 59.5661 63.6841 174.9296 125 L 4.2042 6.8670 122.8644 53.6131 41.9845 175.5799 126 P 4.3609 0.0000 0.0000 64.6903 31.6337 176.5052 127 R 4.5435 7.7336 118.3771 54.5369 32.4716 174.4699 128 H 4.7722 8.6302 122.3059 54.1352 29.8328 173.2890 129 P 3.2550 0.0000 0.0000 62.3519 31.6836 176.2327 130 E 4.0932 8.5601 120.9091 59.7014 29.9936 177.2747 131 I 4.4201 7.2082 116.5206 59.8457 41.8562 173.2371 132 I 4.6815 8.6218 128.6808 59.7467 39.4623 174.5028 133 N 5.0657 9.1692 126.4508 51.9298 40.0406 174.4818 134 L 4.7198 8.9754 126.0476 54.0509 43.2825 176.2332 135 L 4.9216 8.8143 125.6574 51.9002 42.6378 173.7023 136 P 4.7949 0.0000 0.0000 62.5071 32.2209 175.6186 137 Y 4.2532 9.0041 126.0135 58.0131 40.0037 174.4767 138 H 4.5847 8.7867 122.6294 53.5846 31.2014 173.2294 139 D 4.9578 7.7982 134.2776 55.4115 41.0945 179.2093 *158 K 4.1488 6.7600 118.9123 57.0072 35.1342 173.9861 *160 Q 4.2591 8.4086 116.6755 56.2912 30.7814 174.8115 161 T 4.8270 8.7820 117.8441 62.3880 68.9460 173.0420 162 P 4.3841 0.0000 0.0000 62.1407 32.2884 176.9980 163 S 4.3026 8.4697 115.9820 58.4219 64.8730 174.9081 164 E 3.8826 8.7592 122.9513 59.5168 29.2162 178.8097 165 E 3.9102 8.0862 118.7456 59.2529 29.7497 178.8059 166 V 3.8079 7.7142 119.5305 65.5452 31.6240 177.7314 167 Q 4.0011 8.2534 117.9623 59.4485 28.5421 179.3438 168 Q 4.0562 8.2119 118.6922 58.9000 28.2480 178.6812 169 Q 4.0024 8.3267 119.3516 59.1642 28.7390 178.7266 170 C 4.2329 8.4194 117.9842 62.8200 28.1393 176.1383 171 I 3.6983 7.8260 121.4319 64.3840 36.6962 178.2403 172 Q 3.9538 8.3740 120.5711 59.1520 28.7708 178.2063 173 I 3.7577 7.8592 120.7465 64.6257 37.2252 178.3569 174 L 4.0914 7.9140 119.4817 58.1938 41.4021 179.7700 175 T 4.1518 8.0487 116.9989 66.3204 68.1830 176.4135 176 D 4.3470 8.4863 119.9485 57.0869 40.8193 177.4716 177 Y 4.4681 7.6028 114.8250 57.4539 38.0117 176.0268 178 G 3.9087 8.1281 107.9775 45.8032 0.0000 173.4902 179 L 4.7121 7.7975 118.9334 52.7399 44.7748 175.6156 180 K 4.7846 8.3866 120.3683 55.2391 33.5601 175.5927 181 A 5.1974 8.4043 125.7136 50.7838 22.6100 174.4822 182 T 4.6130 8.7267 113.1441 60.8986 71.7007 172.3820 183 I 4.5537 8.3302 126.0823 61.3451 38.3480 176.9890 184 G 3.9512 9.4458 112.8812 44.8650 0.0000 173.6543 185 G 3.7500 8.2694 106.1672 45.7245 0.0000 173.7842 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 G 8.34 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 0.00 0.00 0.00 8 G 7.67 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 9 G 7.38 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 10 V 7.95 4.47 2.03 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 0.83 0.00 0.00 0.63 0.00 0.00 11 T 8.18 5.15 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 1.24 0.00 0.00 12 F 9.12 4.78 0.00 3.00 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 13 C 8.66 5.07 0.00 2.85 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 14 G 9.26 3.89 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 0.00 0.00 0.00 15 G 8.47 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 0.00 0.00 0.00 16 E 8.39 3.98 0.00 2.14 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 2.43 2.54 0.00 17 P 0.00 4.40 0.00 2.29 2.29 0.00 3.88 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 2.47 2.41 0.00 18 L 7.62 4.20 0.00 1.73 1.73 1.02 0.97 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 19 L 7.76 4.34 0.00 1.78 1.65 0.99 0.80 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 20 H 8.10 5.05 0.00 3.42 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.23 0.00 2.24 2.29 0.00 3.78 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 2.07 2.01 0.00 22 E 8.14 3.90 0.00 2.12 2.03 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 2.40 2.46 0.00 23 F 8.24 4.13 0.00 3.17 3.28 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 24 L 8.24 3.38 0.00 1.64 1.70 -0.23 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.60 3.58 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 0.85 0.00 0.00 26 D 8.03 4.22 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 3.56 1.67 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 0.44 0.07 1.05 0.00 0.00 28 L 8.03 3.99 0.00 1.74 1.90 0.84 0.94 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 29 K 8.32 3.91 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.57 7.81 30 R 8.03 4.07 0.00 1.99 1.97 0.00 3.07 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 1.64 1.77 0.00 31 C 8.47 4.27 0.00 3.13 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 32 G 8.30 3.65 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 0.00 0.00 0.00 33 Q 7.85 4.07 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 34 Q 7.69 4.38 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 35 G 7.84 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 36 I 7.59 4.29 2.00 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 1.12 0.78 0.92 0.00 0.00 37 H 8.91 4.47 0.00 3.21 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.13 5.21 0.00 1.85 1.83 0.00 3.28 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 39 A 9.07 5.26 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 0.00 0.00 0.00 0.00 0.00 40 V 8.53 4.87 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 1.02 0.00 0.00 1.01 0.00 0.00 41 D 9.62 5.61 0.00 2.81 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 42 T 8.44 4.56 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 1.24 0.00 0.00 43 T 8.29 3.85 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 1.33 0.00 0.00 44 L 7.73 4.53 0.00 1.65 1.70 0.96 1.01 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 45 L 7.77 4.09 0.00 1.85 1.60 0.88 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 A 8.76 4.11 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 47 R 7.66 4.53 0.00 1.84 1.84 0.00 3.13 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 48 K 8.64 3.97 0.00 1.95 2.05 0.00 1.49 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 49 E 8.11 3.96 0.00 2.19 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 2.34 2.37 0.00 50 T 7.76 3.88 4.32 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 1.17 0.00 0.00 51 V 7.39 3.50 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 0.73 0.00 0.00 0.93 0.00 0.00 52 D 7.85 4.37 0.00 2.82 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 53 E 7.91 4.06 0.00 2.00 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 0.00 2.27 2.30 0.00 54 V 7.87 3.58 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 0.98 0.00 0.00 0.89 0.00 0.00 *56 R 7.99 4.30 0.00 1.99 1.99 0.00 3.18 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 57 N 8.14 5.09 0.00 2.59 2.72 0.00 0.00 6.76 8.43 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 58 C 7.98 4.70 0.00 3.27 2.91 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 E 8.63 4.47 0.00 1.69 1.88 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 2.17 2.23 0.00 60 L 7.75 4.64 0.00 1.62 1.37 0.70 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.01 5.29 0.00 1.88 1.66 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0.00 0.00 7.07 8.27 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 88 I 7.86 3.56 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.03 0.90 0.00 0.00 89 R 8.17 3.82 0.00 2.00 2.13 0.00 3.14 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 1.72 1.62 0.00 90 R 8.21 3.83 0.00 1.99 1.85 0.00 3.12 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 91 V 7.76 3.49 1.70 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 1.05 0.00 0.00 0.86 0.00 0.00 92 A 7.76 4.07 1.39 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 0.00 0.00 93 E 8.35 4.03 0.00 2.09 2.03 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 2.34 2.43 0.00 94 A 7.71 4.20 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 95 D 7.94 4.38 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.13 2.11 0.00 137 Y 9.00 4.25 0.00 3.11 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 0.00 138 H 8.79 4.58 0.00 2.98 3.02 0.00 5.90 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.80 4.96 0.00 2.11 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 K 6.76 4.15 0.00 1.86 2.03 0.00 1.53 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.62 7.81 *160 Q 8.41 4.26 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 161 T 8.78 4.83 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 1.11 0.00 0.00 162 P 0.00 4.38 0.00 2.18 2.05 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 163 S 8.47 4.30 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 0.00 164 E 8.76 3.88 0.00 2.06 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 2.39 2.39 0.00 165 E 8.09 3.91 0.00 2.08 1.93 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 2.38 2.37 0.00 166 V 7.71 3.81 2.20 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 1.20 0.00 0.00 0.93 0.00 0.00 167 Q 8.25 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 168 Q 8.21 4.06 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 169 Q 8.33 4.00 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 170 C 8.42 4.23 0.00 3.14 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 0.00 171 I 7.83 3.70 2.02 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 1.62 0.85 0.91 0.00 0.00 172 Q 8.37 3.95 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 173 I 7.86 3.76 2.08 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 1.61 1.43 1.08 0.00 0.00 174 L 7.91 4.09 0.00 1.87 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 175 T 8.05 4.15 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 1.21 0.00 0.00 176 D 8.49 4.35 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 7.60 4.47 0.00 3.01 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 0.00 178 G 8.13 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 0.00 179 L 7.80 4.71 0.00 1.78 1.53 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.39 4.78 0.00 1.63 1.66 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.41 7.81 181 A 8.40 5.20 1.15 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 0.00 0.00 182 T 8.73 4.61 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 1.19 0.00 0.00 183 I 8.33 4.55 1.87 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 1.28 0.97 0.98 0.00 0.00 184 G 9.45 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 0.00 0.00 0.00 185 G 8.27 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 * Residues marked with a * may have inaccurate shift predictions.