NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5765 8.1633 120.6099 55.4944 34.2853 173.7249 2 I 4.4654 9.3888 127.6952 59.6210 39.1253 173.0604 3 I 4.6850 9.6938 130.0094 59.7148 40.0963 173.8398 4 Y 4.8061 8.9138 125.6903 56.3487 39.5233 175.0675 5 R 5.1056 8.6842 120.0152 53.8180 33.8091 174.1125 6 D 4.7638 9.0041 121.0787 55.0518 41.5071 177.1721 7 L 4.0006 9.1767 128.7921 57.8943 42.2865 177.9123 8 I 4.1169 8.7106 119.1832 63.0449 37.9148 177.1211 9 S 4.2931 8.3198 111.5635 58.6602 63.5087 174.3308 10 H 4.2343 7.9623 116.2888 56.4066 27.0605 174.5887 11 D 4.5563 7.6386 120.4038 53.7180 41.2924 175.9644 12 V 3.9647 8.2597 122.7283 63.3514 31.8819 175.5928 13 M 4.5650 8.6403 128.1896 57.5799 32.9208 176.2313 14 F 4.4091 6.8268 111.4315 56.5615 40.8101 172.5067 15 S 5.3279 8.5382 113.5757 55.9230 66.5288 173.6361 16 D 5.1703 8.7114 117.2329 53.8133 39.2856 177.1797 17 I 4.0117 7.4177 110.9965 61.6302 37.8236 174.9031 18 Y 4.7738 7.2405 117.7107 55.6216 41.1006 174.9509 19 K 4.0059 8.6902 123.0835 57.3660 33.3178 175.4375 20 I 4.9365 8.4283 129.1556 59.4786 39.2380 175.3822 21 R 4.6985 8.6609 123.7594 54.1041 32.4547 174.3171 22 E 4.8002 8.7281 123.1284 55.9222 31.4802 175.1352 23 I 4.6633 8.6004 119.5951 58.9888 42.1783 174.2545 24 A 3.7384 9.1867 120.6993 53.9134 15.8732 176.2966 25 D 4.4387 9.1803 112.3782 56.2021 39.8346 174.1161 26 G 4.0577 8.2291 104.5706 44.7578 0.0000 175.0062 27 L 4.3093 7.9708 122.3965 57.3207 42.5854 176.1981 28 C 5.4372 7.9164 114.4383 57.8552 32.2753 172.9608 29 L 5.0722 8.7213 121.6139 53.2236 43.9775 174.9429 30 E 5.0545 9.2808 124.5365 54.4632 32.2279 174.6513 31 V 4.5825 8.8957 126.7991 60.9740 34.0609 173.7434 32 E 4.6396 8.7770 130.3281 55.7073 30.3891 175.5863 33 G 4.2689 8.9839 113.5361 44.4032 0.0000 171.5137 34 K 4.8326 9.1078 118.0468 54.4473 35.5315 175.8366 35 M 4.5318 8.6165 123.7005 54.4720 32.6435 177.1981 36 V 4.4162 8.4646 127.8612 60.7666 31.6623 175.9283 *68 T 4.1938 7.8737 119.0831 63.1370 70.8345 174.6051 69 G 3.9485 7.0820 107.1501 43.9518 0.0000 172.1136 70 V 4.0968 7.7064 118.7526 62.2250 32.9606 176.2159 71 D 4.3729 8.7982 127.0373 56.8947 39.1358 178.9785 72 I 3.4850 7.5396 120.8487 63.9374 37.0353 178.3384 73 V 3.4215 7.3942 118.1450 66.2412 31.5433 177.8794 74 M 4.0239 8.0215 118.6085 58.1736 31.6982 177.9816 75 N 4.5576 8.1184 114.3463 54.1626 38.0383 175.7491 76 H 4.8674 7.3571 116.3269 54.6614 30.2293 173.2639 77 H 4.1101 7.7246 116.7242 56.7662 26.6775 174.6133 78 L 4.5879 7.9416 118.4588 54.9645 42.5988 177.6687 79 Q 4.6839 9.1276 123.0246 54.4086 30.6452 174.8712 80 E 3.7294 8.7791 125.0942 56.3048 30.5111 175.2096 81 T 4.7542 8.4130 120.4235 60.4022 71.2400 172.3580 82 S 4.8922 8.0281 116.4452 56.5501 66.1627 173.2753 83 F 4.8208 8.2143 118.6298 55.1886 42.9460 175.3459 84 T 4.3745 8.5372 115.1130 61.0284 70.7184 175.4922 85 K 2.8175 8.5529 123.4413 59.7331 31.9930 178.4644 86 E 3.8950 8.0569 118.3559 59.4184 29.7700 178.5838 87 A 4.1568 8.2556 120.6894 55.1675 18.3930 179.0349 88 Y 3.5380 8.1939 118.4562 60.4979 38.9279 177.9455 89 K 3.8007 7.7718 119.0635 59.4236 31.7357 179.0539 90 K 3.8675 7.8417 119.1259 59.6698 32.0734 178.1089 91 Y 4.1089 8.0826 119.7099 60.8514 38.6377 178.1555 92 I 3.0422 7.7056 121.0084 63.8406 37.0574 178.6057 93 K 3.8271 7.7092 119.1254 59.4970 31.9238 179.0561 94 D 4.2577 7.5096 117.8780 57.4414 40.4053 178.1100 95 Y 3.9687 7.6345 119.9330 61.0924 38.6074 178.0762 96 M 4.0615 8.0617 119.5645 58.3537 32.0115 178.9587 97 K 3.9103 7.8630 118.6650 59.5769 32.4013 179.6136 98 S 4.1667 7.9700 114.0826 61.0055 62.9158 176.5211 99 I 3.4310 7.4598 123.9064 63.7725 36.6497 177.9541 100 K 3.9352 8.2802 121.0292 59.3901 32.0863 179.0504 101 G 3.5476 7.9863 105.8385 47.6788 0.0000 175.7322 102 K 4.0103 7.7597 121.2644 59.1629 32.0535 179.5062 103 L 3.9455 8.1184 119.4778 57.7323 41.1808 179.2699 104 E 4.0020 8.5613 119.1355 58.7361 29.0992 178.5496 105 E 4.4096 7.6541 114.5178 56.9559 30.7369 177.3016 106 Q 4.4927 7.7993 117.0800 56.4167 31.5900 176.5954 107 R 4.7277 7.5241 119.2418 52.9331 30.1552 174.3782 108 P 4.3295 0.0000 0.0000 65.2005 31.5349 178.0939 109 E 4.1046 8.1810 115.9224 58.2542 30.0151 177.8697 110 R 4.4619 7.9093 118.1886 56.3331 31.0295 178.1933 111 V 3.6007 7.3940 118.8365 65.9824 31.5327 177.8282 112 K 3.9910 7.9930 118.8780 58.9855 32.2819 176.9306 113 P 4.3442 0.0000 0.0000 65.5772 31.1558 178.2639 114 F 4.2051 8.3135 120.6796 61.4586 39.2439 176.9970 115 M 3.7121 7.9478 117.9358 58.7041 31.3313 179.0285 116 T 3.9629 7.9563 115.9251 66.3421 68.6259 177.2097 117 G 3.5932 8.1653 107.3909 47.8397 0.0000 175.4075 118 A 4.0626 8.0387 124.2605 54.6096 18.1723 179.1373 119 A 3.9033 7.5296 119.4617 55.6539 18.3523 179.5954 120 E 4.2049 7.8951 113.3714 58.4929 29.8297 178.7932 121 Q 4.0510 8.0785 121.5755 59.0848 29.0623 177.6621 122 I 3.8928 8.1688 121.2319 64.6305 37.1015 178.3821 123 K 3.8197 7.7534 117.7037 59.7974 31.6092 178.9212 124 H 4.2301 7.8292 117.6658 59.2590 30.0878 177.0542 125 I 4.0480 8.2189 121.9335 64.7316 36.8221 178.3382 126 L 4.0986 8.7240 118.6972 57.9754 41.5052 179.2742 127 A 4.3108 7.7807 119.4434 53.7827 18.4829 177.7096 128 N 4.9395 8.1803 114.5398 52.8455 39.9020 176.2150 129 F 4.1846 8.5766 123.8546 61.3154 39.3815 176.8501 130 K 4.2573 7.9740 117.3277 57.6547 32.2800 177.2954 131 N 4.3220 7.8888 115.8803 54.6068 38.8485 174.5884 132 Y 4.7099 6.5906 114.9866 56.5052 39.6849 175.2542 133 Q 4.2117 8.4060 121.1982 54.0614 32.1925 174.4732 134 F 5.4414 8.0094 119.1906 55.8812 42.5329 174.4071 135 F 5.4294 9.3546 120.7980 55.7968 43.5387 173.7218 136 I 5.0924 8.9692 115.4186 58.5566 41.6139 174.9440 137 G 4.2220 8.6283 111.0173 45.0464 0.0000 174.1900 138 E 4.2038 8.8117 119.5129 58.6984 28.2123 178.0561 139 N 4.4512 9.0969 115.6770 54.4601 38.6813 175.4550 140 M 3.3106 8.0420 116.4951 55.8466 30.1971 176.2543 141 N 4.3757 7.5823 117.6680 53.1790 38.9967 173.8072 142 P 4.2975 0.0000 0.0000 65.4853 31.5459 176.8557 143 D 4.7505 8.3546 117.3207 54.7465 41.0749 176.7204 144 G 4.1016 7.9850 109.3047 44.5624 0.0000 173.0389 145 M 3.8229 9.3788 119.2533 55.1651 32.7113 175.9897 146 V 4.5613 7.7929 124.9842 61.1822 32.8440 175.2114 147 A 4.1458 9.3549 130.9796 51.5680 20.1954 175.7214 148 L 4.8096 7.8114 119.9766 52.8113 44.2812 175.2717 149 L 4.6588 8.8194 127.0451 53.7001 43.8348 174.8388 150 D 4.9315 8.1118 124.5500 52.9705 45.5358 172.9140 151 Y 5.1998 8.1442 116.7133 55.8049 41.6720 176.0339 152 R 4.5026 8.7752 121.0256 55.6986 31.2362 177.7244 153 E 3.9653 8.9182 118.0022 59.3044 29.5252 177.8905 154 D 4.3297 8.1461 118.4105 55.5705 41.2478 177.0336 155 G 4.0798 8.8766 107.2014 45.1383 0.0000 174.1574 156 V 4.2930 8.2487 109.3313 60.7475 33.9276 175.4031 157 T 4.5829 8.1629 118.1513 61.6526 69.6778 172.0980 158 P 4.2739 0.0000 0.0000 62.1674 33.0884 174.8318 159 Y 5.2009 8.3624 121.0146 55.4298 41.8393 173.9345 160 M 5.5871 9.0143 120.5390 52.7105 36.0667 174.4999 161 I 4.9564 7.7711 122.3027 59.5985 40.2867 174.6151 162 F 5.1215 8.9872 124.2968 55.4335 43.7092 174.4297 163 F 4.9100 8.9363 119.9417 56.7702 39.6971 176.6965 164 K 4.1313 9.3959 128.2686 59.7810 32.1291 178.3537 165 D 4.5169 8.4271 116.0465 56.0394 41.0545 176.8575 166 G 4.1791 8.0744 107.1570 44.3635 0.0000 172.8517 167 L 5.4942 7.8256 119.3737 52.5924 44.7733 175.7716 168 E 4.7938 9.0987 119.2997 54.8867 33.0216 174.4383 169 M 4.7879 8.4604 120.3318 53.7398 34.5924 175.1160 170 E 4.5865 8.8952 121.2958 54.3621 33.5158 174.6917 171 K 4.7026 8.6233 125.3816 55.1820 33.4903 174.8901 172 C 4.7018 8.8831 126.6233 58.2850 29.2799 173.6537 173 L 4.7896 8.2486 122.6258 52.1446 45.2934 175.8094 174 E 3.8636 8.7777 121.2714 57.3017 29.8730 176.0029 175 H 4.9209 8.4586 123.6576 54.6600 33.1569 172.6105 176 H 4.4340 8.3611 121.4698 56.0027 29.2706 173.5041 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 1 M 8.16 4.58 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 2 I 9.39 4.47 1.93 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 0.86 0.37 0.00 0.00 3 I 9.69 4.68 1.78 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 1.22 0.68 0.85 0.00 0.00 4 Y 8.91 4.81 0.00 1.43 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 0.00 0.00 0.00 5 R 8.68 5.11 0.00 1.95 1.93 0.00 2.75 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 6 D 9.00 4.76 0.00 2.85 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 7 L 9.18 4.00 0.00 1.82 1.67 0.89 0.94 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 8 I 8.71 4.12 2.08 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 1.33 0.70 1.01 0.00 0.00 9 S 8.32 4.29 0.00 4.04 4.06 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 10 H 7.96 4.23 0.00 3.40 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.64 4.56 0.00 2.74 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 12 V 8.26 3.96 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 0.81 0.00 0.00 0.95 0.00 0.00 13 M 8.64 4.57 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.23 2.89 0.00 14 F 6.83 4.41 0.00 3.08 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 15 S 8.54 5.33 0.00 3.93 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 16 D 8.71 5.17 0.00 2.83 3.02 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 0.00 0.00 0.00 17 I 7.42 4.01 1.59 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 0.73 -0.36 0.80 0.00 0.00 18 Y 7.24 4.77 0.00 2.91 3.02 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 0.00 0.00 0.00 19 K 8.69 4.01 0.00 1.87 1.74 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.49 7.81 20 I 8.43 4.94 1.91 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 1.28 1.09 0.86 0.00 0.00 21 R 8.66 4.70 0.00 1.83 1.96 0.00 2.70 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 22 E 8.73 4.80 0.00 2.11 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 2.40 2.36 0.00 23 I 8.60 4.66 1.86 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 1.16 0.58 0.88 0.00 0.00 24 A 9.19 3.74 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 25 D 9.18 4.44 0.00 2.79 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 26 G 8.23 4.06 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 0.00 0.00 0.00 27 L 7.97 4.31 0.00 1.93 1.89 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.92 5.44 0.00 2.87 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 29 L 8.72 5.07 0.00 1.69 1.52 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.28 5.05 0.00 2.01 1.73 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 2.27 2.32 0.00 31 V 8.90 4.58 1.79 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 0.31 0.00 0.00 -0.13 0.00 0.00 32 E 8.78 4.64 0.00 2.01 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 2.31 2.28 0.00 33 G 8.98 4.27 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 0.00 34 K 9.11 4.83 0.00 1.74 1.71 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.39 7.81 35 M 8.62 4.53 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 36 V 8.46 4.42 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 0.92 0.00 0.00 0.94 0.00 0.00 *68 T 7.87 4.19 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 1.23 0.00 0.00 69 G 7.08 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 70 V 7.71 4.10 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 0.90 0.00 0.00 0.80 0.00 0.00 71 D 8.80 4.37 0.00 3.03 2.96 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 72 I 7.54 3.49 1.57 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.29 0.74 0.00 0.00 73 V 7.39 3.42 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 1.06 0.00 0.00 -0.06 0.00 0.00 74 M 8.02 4.02 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 75 N 8.12 4.56 0.00 2.79 2.90 0.00 0.00 6.91 7.44 0.00 0.00 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 H 7.36 4.87 0.00 3.45 3.59 0.00 5.81 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.72 4.11 0.00 3.59 3.42 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.94 4.59 0.00 1.60 1.90 0.98 1.10 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 79 Q 9.13 4.68 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 80 E 8.78 3.73 0.00 1.72 1.64 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 1.81 1.47 0.00 81 T 8.41 4.75 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 1.13 0.00 0.00 82 S 8.03 4.89 0.00 3.95 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 83 F 8.21 4.82 0.00 2.61 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 84 T 8.54 4.37 4.27 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 1.26 0.00 0.00 85 K 8.55 2.82 0.00 1.56 1.67 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.18 0.50 7.81 86 E 8.06 3.89 0.00 2.06 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 2.39 2.38 0.00 87 A 8.26 4.16 1.52 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 0.00 0.00 88 Y 8.19 3.54 0.00 2.92 3.02 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 0.00 0.00 0.00 89 K 7.77 3.80 0.00 2.06 1.83 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.60 7.81 90 K 7.84 3.87 0.00 1.85 2.02 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 91 Y 8.08 4.11 0.00 3.22 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 92 I 7.71 3.04 1.47 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.53 0.75 0.00 0.00 93 K 7.71 3.83 0.00 1.71 1.78 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.57 7.81 94 D 7.51 4.26 0.00 2.78 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 95 Y 7.63 3.97 0.00 2.27 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 96 M 8.06 4.06 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 97 K 7.86 3.91 0.00 1.90 1.80 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.55 7.81 98 S 7.97 4.17 0.00 3.99 4.06 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 I 7.46 3.43 1.29 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.34 -0.26 0.00 0.00 100 K 8.28 3.94 0.00 1.98 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 101 G 7.99 3.55 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 0.00 0.00 0.00 102 K 7.76 4.01 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.52 7.81 103 L 8.12 3.95 0.00 1.71 1.79 0.64 0.79 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 0.00 104 E 8.56 4.00 0.00 2.16 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 2.32 2.46 0.00 105 E 7.65 4.41 0.00 2.15 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 2.49 2.29 0.00 106 Q 7.80 4.49 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.21 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 107 R 7.52 4.73 0.00 1.84 1.78 0.00 3.16 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.00 0.00 108 P 0.00 4.33 0.00 2.26 2.30 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 109 E 8.18 4.10 0.00 2.16 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 0.00 2.29 2.35 0.00 110 R 7.91 4.46 0.00 1.98 2.02 0.00 3.35 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 111 V 7.39 3.60 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 1.02 0.00 0.00 0.97 0.00 0.00 112 K 7.99 3.99 0.00 1.88 1.80 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.50 7.81 113 P 0.00 4.34 0.00 2.38 2.34 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.07 0.00 114 F 8.31 4.21 0.00 3.38 3.23 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 0.00 115 M 7.95 3.71 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.02 0.00 116 T 7.96 3.96 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 1.20 0.00 0.00 117 G 8.17 3.59 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 0.00 118 A 8.04 4.06 0.76 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 0.00 119 A 7.53 3.90 1.35 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 0.00 0.00 120 E 7.90 4.20 0.00 2.28 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 2.51 2.34 0.00 121 Q 8.08 4.05 0.00 2.44 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 122 I 8.17 3.89 2.06 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 1.62 1.04 1.06 0.00 0.00 123 K 7.75 3.82 0.00 2.06 1.92 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.64 7.81 124 H 7.83 4.23 0.00 3.14 3.61 0.00 5.96 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 0.00 125 I 8.22 4.05 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.81 0.00 0.00 126 L 8.72 4.10 0.00 1.64 1.77 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.78 4.31 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 0.00 128 N 8.18 4.94 0.00 2.73 2.49 0.00 0.00 6.44 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 0.00 129 F 8.58 4.18 0.00 3.33 3.16 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 0.00 130 K 7.97 4.26 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.58 7.81 131 N 7.89 4.32 0.00 2.06 2.45 0.00 0.00 6.90 8.30 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 0.00 132 Y 6.59 4.71 0.00 2.21 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 0.00 0.00 0.00 0.00 133 Q 8.41 4.21 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 134 F 8.01 5.44 0.00 3.06 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 0.00 135 F 9.35 5.43 0.00 2.94 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 0.00 136 I 8.97 5.09 1.95 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 0.98 1.02 0.00 0.00 137 G 8.63 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 0.00 138 E 8.81 4.20 0.00 2.03 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 0.00 2.34 2.37 0.00 139 N 9.10 4.45 0.00 3.01 2.89 0.00 0.00 7.04 8.52 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 0.00 140 M 8.04 3.31 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.49 0.00 141 N 7.58 4.38 0.00 2.85 2.80 0.00 0.00 7.00 7.59 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 0.00 142 P 0.00 4.30 0.00 2.29 2.20 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 143 D 8.35 4.75 0.00 2.95 2.85 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 0.00 0.00 0.00 144 G 7.99 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 0.00 145 M 9.38 3.82 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.66 0.00 146 V 7.79 4.56 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 1.01 0.00 0.00 0.61 0.00 0.00 147 A 9.35 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.81 4.81 0.00 1.29 1.20 0.84 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.82 4.66 0.00 1.59 1.57 0.41 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.11 4.93 0.00 2.50 1.54 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 0.00 151 Y 8.14 5.20 0.00 2.76 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 0.00 152 R 8.78 4.50 0.00 1.91 1.90 0.00 3.16 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.76 0.00 153 E 8.92 3.97 0.00 2.08 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 0.00 2.28 2.25 0.00 154 D 8.15 4.33 0.00 2.67 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 0.00 155 G 8.88 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.25 4.29 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 0.70 0.00 0.00 1.01 0.00 0.00 157 T 8.16 4.58 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 1.28 0.00 0.00 158 P 0.00 4.27 0.00 1.74 1.66 0.00 3.79 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 159 Y 8.36 5.20 0.00 2.92 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 0.00 160 M 9.01 5.59 0.00 1.42 1.82 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 161 I 7.77 4.96 1.63 0.00 0.00 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 1.44 1.15 0.77 0.00 0.00 162 F 8.99 5.12 0.00 3.05 3.09 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 0.00 163 F 8.94 4.91 0.00 3.46 3.31 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 0.00 164 K 9.40 4.13 0.00 1.98 1.97 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.58 7.81 165 D 8.43 4.52 0.00 2.46 2.43 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 0.00 166 G 8.07 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.83 5.49 0.00 1.85 1.68 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 168 E 9.10 4.79 0.00 1.95 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 2.34 2.22 0.00 169 M 8.46 4.79 0.00 1.48 1.78 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.35 0.00 170 E 8.90 4.59 0.00 1.73 1.72 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 2.14 2.13 0.00 171 K 8.62 4.70 0.00 1.68 1.66 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.40 7.81 172 C 8.88 4.70 0.00 2.83 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 0.00 173 L 8.25 4.79 0.00 1.56 1.51 0.91 0.93 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 0.00 174 E 8.78 3.86 0.00 1.91 1.89 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 2.19 2.28 0.00 175 H 8.46 4.92 0.00 3.02 3.07 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 H 8.36 4.43 0.00 3.07 3.08 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.