NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7609 8.3544 109.7358 45.3554 0.0000 173.6685 *2 S 4.1879 8.4492 118.6028 58.4119 63.0525 173.7543 3 V 4.1886 8.3184 120.1099 61.4780 31.8694 177.1120 4 K 4.0030 7.6934 122.7268 54.5243 31.8657 181.5590 5 V 3.9027 8.3990 124.6095 61.6225 32.2611 175.7788 6 S 4.8819 8.3122 121.6669 56.3196 66.9446 175.3049 7 V 3.6118 8.2457 122.2878 65.8822 31.3267 177.9292 8 D 4.2931 8.0574 117.5935 57.5968 41.1849 177.8775 9 D 4.5548 8.0673 119.0428 57.4435 40.8217 178.8442 10 I 3.5349 7.6984 120.3590 64.4849 37.0751 178.2011 11 D 4.4831 8.2016 119.7087 56.8026 40.5090 179.1267 12 G 3.6690 7.8921 106.6214 47.7803 0.0000 176.0209 13 I 3.4969 7.3047 122.3029 64.2953 37.0628 178.6485 14 T 3.7971 7.8181 116.5666 66.5057 67.7672 176.3102 15 E 3.9533 8.0738 121.6956 59.0641 29.5346 179.1266 16 V 3.7135 7.5647 119.3387 64.4276 31.4968 178.4015 17 L 3.8618 7.7150 118.7919 57.3293 41.4567 178.7502 18 N 4.4954 7.8859 116.1142 55.9694 38.7381 177.2788 19 V 3.8004 7.4112 119.5128 65.9496 31.5975 177.4278 20 Y 4.1891 7.6059 115.9474 58.7631 38.3049 176.7690 *22 N 4.5556 8.1570 117.7788 52.7989 40.9189 176.6577 23 A 3.9872 7.9023 119.6925 54.8505 18.2610 179.4280 24 A 3.4858 7.6630 119.4355 54.8878 18.0010 179.1929 25 E 4.0763 7.5614 115.8930 57.9765 30.2259 176.8588 26 S 4.5135 8.0822 110.1249 57.4668 65.3021 173.1015 27 G 4.1361 7.9880 109.2760 43.7803 0.0000 172.3714 28 T 4.4481 8.2265 110.4795 59.7915 70.4835 175.2979 29 G 3.9255 8.9540 110.3710 48.5365 0.0000 175.3223 30 E 3.9077 8.1730 118.8596 59.4248 29.6635 179.1639 31 E 4.1547 8.0218 117.8999 56.4805 28.7741 178.7324 *33 S 4.5145 8.4062 113.2985 57.9109 64.6939 175.1074 34 A 4.0924 7.8637 123.3413 54.2462 18.3654 177.8609 35 A 4.4580 8.2312 117.4485 52.1339 19.7291 176.4801 36 F 5.3536 7.8510 114.3339 55.2371 42.2158 175.0794 37 H 4.4077 9.2298 125.8604 56.4557 30.3331 177.3114 38 K 4.1588 8.4837 125.5900 57.1147 31.6353 178.2361 39 D 5.0839 8.2010 116.9677 53.9982 41.5415 176.2648 40 A 5.3439 8.1336 120.0548 51.7934 19.6797 177.6460 41 T 4.9207 8.4134 108.2590 60.2716 73.2770 172.6468 42 I 5.6491 8.1830 121.6461 59.8557 41.8487 173.3918 43 F 5.6507 7.9877 127.0521 54.6047 42.8036 174.2525 44 G 3.0269 7.9590 106.6822 45.6876 0.0000 171.4722 45 Y 4.9792 8.1676 119.5558 56.0891 39.7747 175.9834 46 V 4.2441 8.6622 123.1154 61.7888 33.2833 176.0319 47 G 4.1000 8.2272 119.9743 46.9676 0.0000 173.6240 48 D 4.5253 8.9538 126.6900 54.4768 41.5989 176.5522 49 K 4.5591 7.6335 121.6807 53.0466 33.0412 181.9559 50 L 4.3809 8.2506 126.7810 52.7233 40.2155 176.0104 51 A 3.8353 7.9315 124.8990 53.3805 19.1887 177.8920 52 F 4.6323 8.0128 114.9498 55.8542 40.7159 175.2334 53 N 4.4841 9.1142 124.8803 50.7162 37.2995 173.7305 54 G 3.0269 6.5127 112.4800 45.3524 0.0000 172.2543 55 P 4.3136 0.0000 0.0000 61.9962 32.0608 177.3959 56 I 3.6130 8.2266 122.9177 62.2526 38.5442 177.4279 57 K 4.0233 7.8251 120.7360 60.0851 32.0783 178.1089 58 D 4.3926 7.8430 119.3271 56.8320 40.6277 178.5875 59 L 4.0354 7.4357 120.7086 58.5595 41.6273 178.7133 60 Y 4.5234 7.2821 116.0956 61.0976 37.8078 178.0947 61 D 4.5025 8.5091 120.2377 57.1505 40.9450 178.5750 62 W 4.2221 8.4512 128.8321 60.5902 30.7400 177.5631 63 H 4.0342 8.8487 118.3288 58.7929 29.0568 177.0963 64 N 4.3380 7.6744 117.9794 56.1820 38.5116 177.3546 65 S 4.1982 7.7357 115.4923 61.6932 63.0895 176.0531 66 N 4.2571 7.6695 118.5038 53.6047 38.7385 175.9574 67 G 3.8612 7.4255 106.1057 43.8017 0.0000 171.1421 68 P 4.2110 0.0000 0.0000 62.5454 31.8720 177.3859 69 A 4.3372 8.4067 128.7884 51.0566 17.4075 178.6944 70 K 3.9912 8.2625 123.0986 57.2454 32.1751 177.0821 71 N 4.8616 7.8990 112.6423 53.1268 38.8545 175.0926 72 V 4.2435 7.4598 119.4881 61.7708 32.4582 175.6312 73 Q 4.7815 9.1094 123.3826 54.1535 31.1107 174.6691 74 S 5.9628 8.6652 118.1863 55.7459 66.1962 173.7168 75 R 4.7631 8.3648 119.3526 54.5937 34.5221 174.1632 76 I 4.5629 8.5526 124.5727 61.5224 37.3466 175.7554 77 T 4.5921 8.8201 116.4403 61.7660 70.7679 173.9368 78 N 4.9387 7.8106 120.2036 52.5591 42.7335 173.2991 79 I 4.7842 8.2639 125.5442 59.9750 40.5196 174.1794 80 D 4.7457 9.1076 129.0111 52.7910 42.3079 174.9200 81 I 4.7723 8.2148 126.9707 59.6877 39.3439 177.2567 82 V 4.4084 8.5016 124.6612 59.9402 31.7327 174.1734 83 G 3.8328 8.4449 118.4673 45.6087 0.0000 170.9915 84 T 4.3946 8.1900 109.3815 60.7011 71.7250 174.6242 85 V 5.3928 7.7576 114.5017 60.2986 36.6562 173.7350 86 A 5.0590 8.9269 121.8461 51.6242 23.0239 174.7266 87 H 5.5598 9.2421 118.8649 54.7267 33.4641 172.6587 88 A 4.9771 8.2566 122.8455 50.6680 23.0358 175.1266 89 R 5.2142 8.8925 121.1918 54.6001 33.5610 174.7945 90 V 5.0261 8.8620 124.1801 61.4328 35.3623 173.5161 91 E 5.3197 9.4332 127.3060 54.7610 31.7575 174.7293 92 A 5.4684 9.3611 126.0757 50.3101 22.4342 174.8160 93 E 4.8887 9.0978 120.2620 54.8778 34.0732 175.3745 94 N 4.3300 9.0003 118.4868 54.3107 37.7493 175.3332 95 W 4.4078 8.4552 127.5838 57.7435 29.4674 175.3807 96 T 3.2606 9.3264 119.3984 62.4843 67.1179 173.0150 97 N 4.3915 8.2073 111.6305 54.6344 37.1380 174.5810 98 F 5.2253 7.7621 116.6732 55.5467 42.8617 174.3105 99 K 5.0881 8.2878 121.4034 54.7918 34.8414 174.6693 100 F 5.6853 9.3852 125.8409 55.8587 43.0134 174.3559 101 S 5.2454 9.1488 118.3350 57.1491 65.3620 172.7133 102 D 5.2986 9.3366 125.6775 52.5271 43.2696 175.5211 103 L 5.2206 8.4343 122.5906 52.9327 45.0872 175.5835 104 F 5.4876 9.1331 121.1379 55.6435 43.4053 173.8190 105 L 5.3536 8.7285 120.9744 53.0782 44.6338 175.6544 106 L 5.4574 9.2281 122.9143 52.8799 46.0194 175.1553 107 L 5.0142 9.0268 122.9179 53.3222 45.3497 176.0161 108 K 3.9239 8.0510 128.7980 55.1282 30.6366 174.0230 109 L 3.9936 8.6592 125.3475 54.6323 41.9893 176.5009 110 D 4.3732 9.6518 127.4998 55.3430 38.2450 175.1535 111 G 3.8373 8.6974 108.9426 45.3692 0.0000 174.5834 112 K 4.6831 7.5995 123.2994 52.8444 35.2639 181.2016 113 W 4.8408 8.8677 124.6368 56.4082 30.0440 175.5627 114 T 4.6648 8.7623 116.5317 60.9341 71.1040 172.4123 115 I 4.3961 8.4292 128.4945 61.3062 37.8061 176.8852 116 V 4.2240 8.9156 120.3715 62.2750 33.9084 175.7631 117 N 5.6849 8.1025 115.9333 51.5980 43.4227 173.6149 118 K 4.9223 8.8247 121.7015 55.3469 36.1026 175.2587 119 V 5.5486 8.8472 119.7012 58.6893 35.7931 174.3911 120 F 5.4208 8.0123 115.9727 55.8210 41.4295 172.8436 121 H 4.8434 9.2626 119.2954 54.2901 32.6201 171.9493 122 L 4.7940 8.3969 127.8943 54.0585 42.7898 175.5993 123 H 4.4587 8.7248 124.4754 55.3833 29.5477 175.7258 124 A 4.1590 8.5422 124.3041 52.5285 18.3664 177.2207 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 0 G 8.35 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 *2 S 8.45 4.19 0.00 3.88 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 3 V 8.32 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 0.76 0.00 0.00 0.95 0.00 0.00 4 K 7.69 4.00 0.00 1.81 1.62 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.26 7.81 5 V 8.40 3.90 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 0.96 0.00 0.00 0.94 0.00 0.00 6 S 8.31 4.88 0.00 4.07 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 7 V 8.25 3.61 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 1.02 0.00 0.00 0.93 0.00 0.00 8 D 8.06 4.29 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.55 0.00 2.96 2.71 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 10 I 7.70 3.53 1.94 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 1.44 1.03 0.83 0.00 0.00 11 D 8.20 4.48 0.00 2.85 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 12 G 7.89 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 0.00 0.00 0.00 13 I 7.30 3.50 1.42 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.36 0.58 0.00 0.00 14 T 7.82 3.80 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 1.17 0.00 0.00 15 E 8.07 3.95 0.00 2.22 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 0.00 2.31 2.31 0.00 16 V 7.56 3.71 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 0.82 0.00 0.00 0.84 0.00 0.00 17 L 7.71 3.86 0.00 1.67 1.65 0.73 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.89 4.50 0.00 2.89 2.86 0.00 0.00 6.95 7.54 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 19 V 7.41 3.80 2.28 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 1.04 0.00 0.00 1.00 0.00 0.00 20 Y 7.61 4.19 0.00 3.03 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 *22 N 8.16 4.56 0.00 2.88 2.85 0.00 0.00 6.92 7.47 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 23 A 7.90 3.99 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 24 A 7.66 3.49 0.28 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 25 E 7.56 4.08 0.00 1.77 1.83 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 2.16 2.41 0.00 26 S 8.08 4.51 0.00 3.80 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 27 G 7.99 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.23 4.45 4.38 0.00 0.00 0.00 0.00 0.00 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 29 G 8.95 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 0.00 0.00 0.00 30 E 8.17 3.91 0.00 1.92 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 2.28 2.33 0.00 31 E 8.02 4.15 0.00 2.24 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 2.32 2.24 0.00 *33 S 8.41 4.51 0.00 3.37 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 34 A 7.86 4.09 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 35 A 8.23 4.46 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 36 F 7.85 5.35 0.00 3.22 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 37 H 9.23 4.41 0.00 3.23 3.28 0.00 5.59 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.48 4.16 0.00 1.81 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.04 7.81 39 D 8.20 5.08 0.00 2.75 2.74 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 40 A 8.13 5.34 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.41 4.92 4.31 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 1.27 0.00 0.00 42 I 8.18 5.65 1.69 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.67 0.86 0.00 0.00 43 F 7.99 5.65 0.00 2.89 2.71 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 44 G 7.96 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 0.00 0.00 0.00 45 Y 8.17 4.98 0.00 2.76 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 46 V 8.66 4.24 2.11 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 0.99 0.00 0.00 1.04 0.00 0.00 47 G 8.23 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 0.00 0.00 0.00 48 D 8.95 4.53 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 49 K 7.63 4.56 0.00 1.71 1.68 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.23 7.81 50 L 8.25 4.38 0.00 1.24 1.47 0.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.93 3.84 1.03 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 0.00 0.00 52 F 8.01 4.63 0.00 3.11 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 53 N 9.11 4.48 0.00 2.71 2.73 0.00 0.00 6.31 7.00 0.00 0.00 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 G 6.51 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 0.00 0.00 0.00 55 P 0.00 4.31 0.00 2.25 1.96 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 56 I 8.23 3.61 1.83 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.06 0.95 0.00 0.00 57 K 7.83 4.02 0.00 1.89 1.77 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.62 7.81 58 D 7.84 4.39 0.00 2.84 2.57 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 0.00 0.00 0.00 0.00 59 L 7.44 4.04 0.00 1.42 1.23 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.28 4.52 0.00 3.10 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 61 D 8.51 4.50 0.00 2.80 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 62 W 8.45 4.22 0.00 3.59 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 63 H 8.85 4.03 0.00 3.77 3.51 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.67 4.34 0.00 2.95 2.86 0.00 0.00 7.04 7.42 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 65 S 7.74 4.20 0.00 3.76 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 66 N 7.67 4.26 0.00 1.70 1.98 0.00 0.00 7.36 7.61 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 67 G 7.43 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.21 0.00 1.97 1.92 0.00 3.58 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 69 A 8.41 4.34 0.96 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 0.00 0.00 0.00 0.00 0.00 70 K 8.26 3.99 0.00 1.79 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.03 7.81 71 N 7.90 4.86 0.00 2.69 2.85 0.00 0.00 6.94 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 72 V 7.46 4.24 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 0.49 0.00 0.00 1.02 0.00 0.00 73 Q 9.11 4.78 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 74 S 8.67 5.96 0.00 3.94 3.96 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 0.00 0.00 0.00 75 R 8.36 4.76 0.00 1.75 1.83 0.00 3.31 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 76 I 8.55 4.56 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 0.93 0.00 0.00 77 T 8.82 4.59 4.28 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 1.31 0.00 0.00 78 N 7.81 4.94 0.00 2.85 2.65 0.00 0.00 6.96 7.93 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 79 I 8.26 4.78 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.70 0.70 0.00 0.00 80 D 9.11 4.75 0.00 2.82 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 81 I 8.21 4.77 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.96 0.00 0.00 82 V 8.50 4.41 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 0.77 0.00 0.00 0.97 0.00 0.00 83 G 8.44 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 84 T 8.19 4.39 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 1.14 0.00 0.00 85 V 7.76 5.39 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 0.86 0.00 0.00 1.01 0.00 0.00 86 A 8.93 5.06 1.04 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 0.00 0.00 87 H 9.24 5.56 0.00 3.24 3.16 0.00 5.79 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 88 A 8.26 4.98 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 89 R 8.89 5.21 0.00 1.94 1.79 0.00 3.11 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 90 V 8.86 5.03 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 1.31 0.00 0.00 1.12 0.00 0.00 91 E 9.43 5.32 0.00 2.01 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 2.34 2.46 0.00 92 A 9.36 5.47 1.76 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 93 E 9.10 4.89 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 94 N 9.00 4.33 0.00 2.84 3.06 0.00 0.00 6.99 7.95 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 95 W 8.46 4.41 0.00 3.86 3.42 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 0.00 96 T 9.33 3.26 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 1.31 0.00 0.00 97 N 8.21 4.39 0.00 2.50 2.85 0.00 0.00 6.66 8.24 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 98 F 7.76 5.23 0.00 3.06 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 0.00 0.00 0.00 0.00 99 K 8.29 5.09 0.00 1.79 1.61 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.44 7.81 100 F 9.39 5.69 0.00 3.10 2.82 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 0.00 101 S 9.15 5.25 0.00 3.92 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 0.00 102 D 9.34 5.30 0.00 2.79 1.78 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 0.00 103 L 8.43 5.22 0.00 1.47 1.56 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.13 5.49 0.00 2.94 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 0.00 105 L 8.73 5.35 0.00 1.81 1.62 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.23 5.46 0.00 1.77 1.87 0.89 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.03 5.01 0.00 1.72 1.47 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.05 3.92 0.00 0.79 0.93 0.00 1.05 0.00 0.00 1.17 0.00 0.00 2.59 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.96 0.54 7.81 109 L 8.66 3.99 0.00 1.76 1.51 0.94 1.09 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 0.00 110 D 9.65 4.37 0.00 2.80 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 0.00 111 G 8.70 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 0.00 112 K 7.60 4.68 0.00 1.43 1.64 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.25 7.81 113 W 8.87 4.84 0.00 3.14 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 0.00 114 T 8.76 4.66 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 1.37 0.00 0.00 115 I 8.43 4.40 1.15 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.22 0.99 0.00 0.00 116 V 8.92 4.22 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 1.05 0.00 0.00 117 N 8.10 5.68 0.00 2.70 2.72 0.00 0.00 6.56 6.90 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 0.00 118 K 8.82 4.92 0.00 2.02 1.63 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.05 0.66 7.81 119 V 8.85 5.55 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 0.65 0.00 0.00 0.91 0.00 0.00 120 F 8.01 5.42 0.00 2.97 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 0.00 121 H 9.26 4.84 0.00 3.22 3.16 0.00 5.77 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 0.00 122 L 8.40 4.79 0.00 1.81 1.56 0.46 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.72 4.46 0.00 3.09 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.54 4.16 1.24 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 * Residues marked with a * may have inaccurate shift predictions.