NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3138 8.1127 119.7070 56.2526 32.5586 177.4763 4 R 3.6529 8.1303 117.1160 59.0553 30.4222 176.5636 5 I 3.9480 7.8390 119.3270 64.3927 37.6505 177.3398 6 E 4.0563 8.2344 119.5992 59.3242 29.2483 178.1992 7 D 4.4027 7.8905 117.6117 57.3216 41.2903 177.8285 8 H 4.5181 8.5640 117.1681 58.3929 28.5924 177.8572 9 I 3.8347 7.7261 121.5725 64.2055 37.0684 178.1035 10 S 4.2453 7.8802 115.6465 61.7914 62.6877 176.6204 11 F 4.1128 8.2697 123.1296 61.2209 39.0879 176.8952 12 L 3.7135 8.0027 120.0146 58.0124 41.8679 178.8200 13 E 3.9317 8.8696 119.7055 59.1587 29.2993 179.2752 14 K 3.8709 8.2780 120.0889 59.2422 32.2652 178.5650 15 F 3.8934 8.0076 121.2993 61.3881 39.2550 177.1295 16 I 3.4982 7.7935 119.2926 64.3357 36.7993 177.9551 17 N 4.2301 8.0504 117.8405 56.7491 38.6886 176.6713 18 D 4.2302 8.1640 120.5259 57.1894 40.8885 178.8883 19 V 3.3501 7.4615 118.7225 66.0344 31.5098 177.8898 20 N 4.2977 8.1016 116.1703 56.5635 38.4354 177.5845 21 T 3.8434 8.1128 117.4656 66.3209 68.5012 176.4429 22 L 3.8798 8.0393 122.3149 58.4706 42.1292 178.8009 23 T 3.8034 7.8500 115.3881 66.8440 68.3340 176.0741 24 A 4.0034 7.9919 122.1528 55.3065 18.1512 179.9118 25 K 3.9551 7.6717 115.1279 59.6477 32.2279 179.4249 26 L 4.1643 8.4492 118.4953 56.8751 41.8300 178.4989 27 L 4.5594 8.1699 117.0327 54.1132 42.0717 177.9628 28 K 3.8691 7.7733 121.9813 60.0188 32.0042 178.3221 29 D 4.4117 8.0727 118.3593 57.1552 40.9312 178.3564 30 L 4.1260 7.9503 120.4498 58.3069 42.2128 178.7952 31 Q 4.1176 8.3958 118.0255 59.5172 28.8003 179.1259 32 T 3.9732 8.0816 116.6883 66.5764 68.2220 176.4459 33 E 4.0279 8.4588 120.8515 58.7631 29.7651 177.4333 34 Y 4.4114 7.9227 113.8114 56.7022 38.4379 175.4923 35 G 3.9132 7.9593 107.7185 46.7231 0.0000 173.6072 36 I 4.5692 8.2746 111.6537 58.0932 40.8320 175.1486 37 S 4.6271 8.0850 115.8499 56.6838 66.0796 174.9824 38 A 4.0947 8.3400 123.3205 55.4542 18.1944 179.5903 39 E 3.9723 8.1826 115.5132 59.7750 29.5218 179.2321 40 Q 3.9394 7.8798 118.9625 58.8252 28.8024 178.6258 41 S 4.0304 8.1907 114.0347 61.2250 62.3291 175.8523 42 H 4.1972 8.1848 121.3002 59.3118 29.6853 177.2372 43 V 3.5316 7.6630 119.8866 66.0980 30.9924 177.9590 44 L 3.9760 7.6664 117.8017 57.7436 41.7564 178.6966 45 N 4.4751 8.1710 117.0422 56.7638 38.9159 176.7022 46 M 3.9998 7.9949 120.0804 58.6220 31.8050 178.7841 47 L 5.0746 8.3055 120.0079 56.8067 41.4782 179.5582 48 S 4.0114 7.8750 113.7090 60.9467 63.2020 176.2799 49 I 3.8796 8.0728 123.7415 62.7299 37.3503 175.7870 50 E 4.6269 6.7246 114.3613 55.3366 32.2421 175.1585 51 A 4.3991 8.6680 122.3309 51.9523 18.4920 176.9050 52 L 4.8126 8.4508 121.3805 54.0325 44.9655 176.3757 53 T 4.8712 8.4566 111.2017 59.8919 71.4675 176.2977 54 V 3.6815 8.6290 114.4897 64.7701 31.4602 178.8315 55 G 3.7438 8.1410 104.5662 48.0143 0.0000 175.2157 56 Q 3.9769 7.5509 120.1103 58.9332 28.7586 179.0625 57 I 3.8352 7.6261 118.2825 63.5252 37.9522 178.1212 58 T 3.9917 7.6315 116.7333 66.8241 68.3005 176.5560 59 E 4.0410 7.9523 119.5268 59.1842 29.6670 178.1838 60 K 4.0222 7.8243 118.2616 59.6343 32.1925 178.8996 61 Q 4.2330 8.0313 118.4157 56.1789 30.0335 176.2372 62 G 3.8468 7.7328 109.4737 45.6257 0.0000 172.2965 63 V 4.4176 7.2781 121.3603 61.3638 35.2681 173.4827 64 N 4.7209 8.3957 120.2513 52.2614 40.6260 176.0773 65 K 3.7951 9.3841 117.7190 59.1680 31.1730 179.6758 66 A 3.8790 9.3138 128.9830 55.7554 19.3269 180.1385 67 A 3.6030 7.0700 111.9177 56.1382 18.0959 179.5646 68 V 3.4692 8.0213 114.4296 65.5686 32.0569 177.9798 69 S 4.0775 8.1721 112.1308 61.5492 62.1233 176.2996 70 R 3.8954 8.3069 118.7224 59.6938 29.0681 178.9709 71 R 3.9134 8.0209 119.2343 58.7259 30.0209 179.2882 72 V 3.6539 8.0552 118.2784 65.6614 31.3355 178.3490 73 K 4.0154 8.2997 118.7013 59.2659 31.6551 179.4901 74 K 3.9994 7.7915 117.8197 59.3766 32.3803 179.1248 75 L 4.1120 7.9073 119.3225 57.8256 41.5899 179.5851 76 L 4.1020 8.0580 118.5782 57.2264 41.3057 178.6532 77 N 4.5256 7.7616 114.7252 54.4188 38.8686 176.1090 78 A 4.3618 7.5729 119.9753 50.7003 20.8684 176.1079 79 E 3.7233 7.4823 115.4025 57.5467 27.0506 174.2050 80 L 4.8397 7.4568 116.4350 53.8836 45.3106 177.7023 81 V 5.0158 7.8165 116.7737 61.0641 35.5108 174.9225 82 K 4.5126 9.5393 122.9957 54.4884 36.0108 176.1341 83 L 3.7095 8.6102 127.6642 56.2364 43.1601 176.1675 *96 I 4.1175 8.5848 123.3097 56.6759 39.0363 171.2114 97 I 3.4724 7.6330 135.0000 61.0148 36.8641 172.9333 98 K 4.7505 8.7407 125.8191 54.3685 36.2797 175.3046 99 L 4.9059 8.4816 123.1681 54.3482 43.1188 175.7705 100 S 4.7585 8.3030 114.2473 56.0681 66.2917 174.5478 101 N 4.1336 8.9098 117.0721 57.0101 38.3910 176.4014 102 K 4.2052 8.1254 120.5288 59.3233 32.3682 178.9950 103 G 3.6319 7.9748 106.0245 47.5475 0.0000 175.7169 104 K 3.9824 8.9952 122.9306 59.0377 32.1984 178.8811 105 K 3.9674 8.2750 120.1803 59.4793 32.1708 178.1076 106 Y 3.5073 7.9738 119.7522 60.7457 38.6872 178.0201 107 I 3.4602 7.8934 120.6371 64.3562 37.1596 178.5842 108 K 3.8974 7.9595 119.1570 59.4810 31.8136 179.0716 109 E 3.9002 8.0764 119.4722 59.0466 29.4029 178.8552 110 R 3.7215 7.5653 118.9939 58.8794 30.0779 178.6024 111 K 3.8646 7.9456 118.1778 59.2715 32.0885 178.9278 112 A 3.9297 7.7988 120.9727 55.3285 18.2764 179.7225 113 I 3.5763 7.4133 117.6795 65.0054 37.2360 178.6945 114 M 4.1052 8.1652 119.3852 58.3893 31.5813 179.2401 115 S 4.1144 8.5529 115.8401 61.6672 62.9799 176.0002 116 H 4.1719 8.1505 120.8389 59.4056 29.4339 177.2334 117 I 3.6869 7.3833 119.3714 64.4976 37.1396 178.0429 118 A 4.1611 8.2108 121.5884 54.9828 18.2866 179.6327 119 S 4.0617 8.3678 111.9473 61.7134 62.4225 175.7171 120 D 4.6883 8.2386 118.1764 55.4860 40.5411 176.3757 121 M 4.6435 7.3746 118.2902 55.4789 32.8897 176.2963 122 T 4.9727 7.9978 108.0033 63.1852 70.1300 174.6603 123 S 4.5117 8.2572 113.3856 59.6810 63.1216 174.0053 124 D 4.7397 7.8088 119.0779 53.1956 39.9619 176.1167 125 F 4.5554 7.7240 118.6548 56.8302 40.2468 174.9150 126 D 4.7346 8.4598 121.6470 53.5537 42.6113 177.5898 127 S 4.1632 8.7185 121.8561 61.1944 62.8188 176.4208 128 K 4.0428 8.0220 123.0716 58.9860 31.8557 178.6118 129 E 3.9882 7.9427 118.6979 59.5008 29.5701 178.9707 130 I 3.5662 8.0041 120.1397 64.4631 37.1398 178.3621 131 E 3.9744 8.2815 119.2826 58.8528 29.3021 179.0941 132 K 4.1659 7.8229 119.7559 58.9065 32.2132 179.2338 133 V 3.4715 7.4505 119.0086 65.9368 31.4561 177.8515 134 R 3.8792 8.0933 118.6190 59.5276 29.6183 178.3631 135 Q 3.9455 8.1183 117.6772 59.0978 28.6334 179.0923 136 V 3.5882 7.7573 119.1155 66.0470 31.5547 178.0755 137 L 4.0657 8.0872 118.6172 57.5541 41.3288 179.2753 138 E 4.1662 8.4771 119.3419 59.1489 29.3131 179.2807 139 I 3.8304 7.5816 113.2900 63.9975 37.6751 178.4508 140 I 3.8452 7.6643 121.7426 63.9972 36.8447 177.9041 141 D 4.3167 8.5974 119.5519 57.4434 41.0820 177.5930 142 Y 4.0461 8.3970 120.3656 60.9093 38.7930 178.3983 143 R 3.9893 8.6909 119.3943 58.9381 30.1085 179.0843 144 I 3.6609 8.1074 120.0778 64.6253 36.6942 178.3340 145 Q 3.9842 8.4331 119.4768 59.0662 28.3101 179.1649 146 S 3.8122 7.7253 113.8526 60.7488 63.5408 175.5702 147 Y 3.9589 7.8645 123.7409 60.7807 38.5108 177.4607 148 T 4.0854 8.3376 116.8169 66.1859 68.2019 176.7876 149 S 4.1208 7.3510 115.8008 61.3590 63.1903 176.4544 150 K 3.9274 7.4947 120.1958 57.2950 31.7935 176.8058 151 L 4.1968 7.3769 125.4142 55.0764 43.8223 173.2729 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 R 8.11 4.31 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 4 R 8.13 3.65 0.00 1.86 1.95 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 5 I 7.84 3.95 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.94 0.00 0.00 6 E 8.23 4.06 0.00 2.03 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 2.39 2.39 0.00 7 D 7.89 4.40 0.00 2.83 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 8 H 8.56 4.52 0.00 3.41 3.35 0.00 5.67 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 9 I 7.73 3.83 1.89 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 1.66 1.21 0.96 0.00 0.00 10 S 7.88 4.25 0.00 4.06 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 11 F 8.27 4.11 0.00 3.24 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 12 L 8.00 3.71 0.00 1.96 1.80 0.94 1.02 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 13 E 8.87 3.93 0.00 2.19 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 2.31 2.36 0.00 14 K 8.28 3.87 0.00 1.77 1.83 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.43 7.81 15 F 8.01 3.89 0.00 2.30 2.83 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 16 I 7.79 3.50 1.91 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 1.42 0.68 0.86 0.00 0.00 17 N 8.05 4.23 0.00 2.79 2.89 0.00 0.00 7.26 8.62 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 18 D 8.16 4.23 0.00 2.64 2.59 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 19 V 7.46 3.35 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 0.89 0.00 0.00 0.24 0.00 0.00 20 N 8.10 4.30 0.00 2.82 2.78 0.00 0.00 7.08 6.65 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 21 T 8.11 3.84 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 1.18 0.00 0.00 22 L 8.04 3.88 0.00 1.70 1.76 0.91 0.87 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 23 T 7.85 3.80 4.36 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 1.20 0.00 0.00 24 A 7.99 4.00 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 25 K 7.67 3.96 0.00 2.02 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 26 L 8.45 4.16 0.00 1.72 1.72 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.17 4.56 0.00 1.68 1.71 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.77 3.87 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 29 D 8.07 4.41 0.00 2.76 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 30 L 7.95 4.13 0.00 1.82 1.92 1.17 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.40 4.12 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 32 T 8.08 3.97 4.44 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 0.00 0.00 0.00 1.23 0.00 0.00 33 E 8.46 4.03 0.00 2.17 2.33 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 2.22 2.33 0.00 34 Y 7.92 4.41 0.00 2.93 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 35 G 7.96 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 36 I 8.27 4.57 1.76 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.91 0.00 0.00 37 S 8.09 4.63 0.00 4.22 4.03 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 38 A 8.34 4.09 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.18 3.97 0.00 2.18 2.24 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 2.36 2.35 0.00 40 Q 7.88 3.94 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 41 S 8.19 4.03 0.00 3.85 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 42 H 8.18 4.20 0.00 3.27 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.66 3.53 2.21 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 0.95 0.00 0.00 0.91 0.00 0.00 44 L 7.67 3.98 0.00 1.83 1.78 0.50 0.78 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 45 N 8.17 4.48 0.00 2.98 2.82 0.00 0.00 7.23 7.76 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 46 M 7.99 4.00 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 47 L 8.31 5.07 0.00 1.87 1.73 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.88 4.01 0.00 4.03 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 0.00 49 I 8.07 3.88 2.13 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 1.58 0.53 0.91 0.00 0.00 50 E 6.72 4.63 0.00 2.08 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 2.05 2.10 0.00 51 A 8.67 4.40 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 52 L 8.45 4.81 0.00 1.51 1.57 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.46 4.87 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 1.28 0.00 0.00 54 V 8.63 3.68 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 0.93 0.00 0.00 55 G 8.14 3.74 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 0.00 56 Q 7.55 3.98 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 57 I 7.63 3.84 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 1.04 0.00 0.00 58 T 7.63 3.99 4.35 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 1.24 0.00 0.00 59 E 7.95 4.04 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 60 K 7.82 4.02 0.00 1.99 1.80 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.48 7.81 61 Q 8.03 4.23 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 62 G 7.73 3.85 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 0.00 0.00 0.00 63 V 7.28 4.42 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 0.83 0.00 0.00 0.93 0.00 0.00 64 N 8.40 4.72 0.00 2.73 2.77 0.00 0.00 6.90 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 65 K 9.38 3.80 0.00 1.81 1.59 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.46 7.81 66 A 9.31 3.88 1.30 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 0.00 0.00 0.00 67 A 7.07 3.60 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.02 3.47 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 1.10 0.00 0.00 0.97 0.00 0.00 69 S 8.17 4.08 0.00 3.92 4.02 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 70 R 8.31 3.90 0.00 2.04 2.30 0.00 2.83 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 1.81 1.61 0.00 71 R 8.02 3.91 0.00 1.96 2.01 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 72 V 8.06 3.65 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 1.02 0.00 0.00 0.99 0.00 0.00 73 K 8.30 4.02 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 74 K 7.79 4.00 0.00 1.91 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 75 L 7.91 4.11 0.00 1.84 1.68 0.92 0.63 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 76 L 8.06 4.10 0.00 1.86 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.76 4.53 0.00 2.79 2.86 0.00 0.00 6.88 8.42 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 78 A 7.57 4.36 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 79 E 7.48 3.72 0.00 2.28 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 2.25 2.27 0.00 80 L 7.46 4.84 0.00 1.51 1.59 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.82 5.02 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 0.83 0.00 0.00 0.92 0.00 0.00 82 K 9.54 4.51 0.00 1.61 1.65 0.00 1.90 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 83 L 8.61 3.71 0.00 1.73 1.53 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *96 I 8.58 4.12 2.08 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 0.78 0.91 0.00 0.00 97 I 7.63 3.47 2.11 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 1.18 0.21 0.90 0.00 0.00 98 K 8.74 4.75 0.00 1.73 1.75 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.39 7.81 99 L 8.48 4.91 0.00 1.58 1.60 0.94 0.86 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 0.00 100 S 8.30 4.76 0.00 3.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.91 4.13 0.00 2.83 2.90 0.00 0.00 6.52 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 0.00 102 K 8.13 4.21 0.00 1.93 2.04 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.74 7.81 103 G 7.97 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 0.00 104 K 9.00 3.98 0.00 1.97 2.01 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 105 K 8.27 3.97 0.00 2.11 2.17 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.53 7.81 106 Y 7.97 3.51 0.00 2.22 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 0.00 107 I 7.89 3.46 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.76 0.87 0.00 0.00 108 K 7.96 3.90 0.00 2.05 1.82 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.53 7.81 109 E 8.08 3.90 0.00 2.18 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 2.31 2.32 0.00 110 R 7.57 3.72 0.00 1.29 1.72 0.00 3.00 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 111 K 7.95 3.86 0.00 1.90 1.80 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.70 1.56 7.81 112 A 7.80 3.93 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.41 3.58 1.94 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 1.50 1.12 0.90 0.00 0.00 114 M 8.17 4.11 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.91 0.00 115 S 8.55 4.11 0.00 4.05 3.92 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 0.00 116 H 8.15 4.17 0.00 3.40 3.31 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 0.00 117 I 7.38 3.69 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.93 0.92 0.00 0.00 118 A 8.21 4.16 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 0.00 119 S 8.37 4.06 0.00 4.03 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 0.00 120 D 8.24 4.69 0.00 2.75 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 0.00 121 M 7.37 4.64 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 122 T 8.00 4.97 4.55 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 1.30 0.00 0.00 123 S 8.26 4.51 0.00 4.03 4.12 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 0.00 124 D 7.81 4.74 0.00 2.62 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 0.00 125 F 7.72 4.56 0.00 3.32 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 0.00 126 D 8.46 4.73 0.00 2.90 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 0.00 127 S 8.72 4.16 0.00 4.10 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 0.00 128 K 8.02 4.04 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.53 7.81 129 E 7.94 3.99 0.00 2.35 1.98 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 2.43 2.44 0.00 130 I 8.00 3.57 1.85 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.87 0.86 0.00 0.00 131 E 8.28 3.97 0.00 2.26 1.98 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 2.32 2.30 0.00 132 K 7.82 4.17 0.00 1.83 1.77 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 133 V 7.45 3.47 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 0.84 0.00 0.00 0.85 0.00 0.00 134 R 8.09 3.88 0.00 1.93 2.03 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 135 Q 8.12 3.95 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 136 V 7.76 3.59 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 1.00 0.00 0.00 0.97 0.00 0.00 137 L 8.09 4.07 0.00 1.74 1.70 0.88 0.68 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 0.00 138 E 8.48 4.17 0.00 2.18 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 2.34 2.49 0.00 139 I 7.58 3.83 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.21 0.94 0.00 0.00 140 I 7.66 3.85 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 1.41 0.71 0.92 0.00 0.00 141 D 8.60 4.32 0.00 2.82 2.86 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 0.00 142 Y 8.40 4.05 0.00 3.21 3.22 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 0.00 143 R 8.69 3.99 0.00 1.97 2.03 0.00 3.25 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 144 I 8.11 3.66 2.09 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 1.48 0.67 0.91 0.00 0.00 145 Q 8.43 3.98 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 146 S 7.73 3.81 0.00 3.86 3.69 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 0.00 147 Y 7.86 3.96 0.00 3.28 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 0.00 148 T 8.34 4.09 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 149 S 7.35 4.12 0.00 3.82 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 0.00 150 K 7.49 3.93 0.00 1.60 1.70 0.00 1.50 0.00 0.00 1.41 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.35 7.81 151 L 7.38 4.20 0.00 1.56 1.98 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.