NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.9851 7.8676 121.4236 61.6558 39.5348 177.6756 3 T 3.6756 7.6127 110.8911 62.9061 68.7826 175.1649 4 S 4.0033 8.6564 118.0975 61.0448 63.5475 177.5363 5 I 3.6117 7.6179 122.8242 63.9304 36.9464 178.1136 6 A 3.9793 7.9233 121.4687 55.0580 18.2570 179.5858 7 R 2.7334 7.5894 117.1680 59.2967 30.0142 178.4704 8 Q 3.9257 7.8948 119.2599 59.1247 28.9957 178.0740 9 S 4.0947 8.1343 114.0878 61.5882 62.4022 176.2519 10 I 3.8754 7.8602 122.3775 64.4253 36.8463 178.4159 11 I 4.1517 8.0094 120.6213 64.7323 37.0146 178.5277 12 L 4.0789 8.2544 119.8243 57.6897 41.4599 179.8048 13 K 4.0152 8.3543 118.5927 59.7221 31.7968 179.2807 14 C 4.1121 8.2215 116.1120 62.5562 28.0877 175.8513 15 L 3.9447 8.1051 120.3791 57.3489 41.3662 178.9161 16 R 4.1028 7.8733 114.9634 55.1398 31.5883 176.1093 17 Q 2.0000 7.1474 117.2714 56.2132 26.6492 173.5363 18 K 4.5110 6.2836 113.9412 55.5489 36.6557 178.4809 19 S 3.9542 8.9120 116.4880 57.8350 61.9415 169.4199 20 V 4.6260 7.9041 111.7737 59.3949 35.5414 174.8990 21 L 4.1835 8.3787 120.9604 55.4507 41.5018 177.8634 22 V 4.5171 8.9881 115.7131 60.9217 33.0384 175.8440 23 S 4.7641 7.2039 114.0279 56.4299 66.6745 175.0207 24 N 4.6386 8.6334 119.6727 56.1409 38.3489 177.4604 25 Y 4.2904 7.5588 118.2783 61.1699 38.0621 177.9537 26 E 4.1066 8.5593 119.6851 59.2396 29.5134 179.0629 27 L 3.8500 7.8364 120.2629 58.5908 42.2040 178.7275 28 Y 4.1498 8.5193 116.6468 61.1564 37.7946 178.0457 29 Y 4.5706 8.0665 121.3095 60.6412 38.9107 178.1481 30 T 3.6783 8.1921 116.4836 66.5142 68.4631 176.4607 31 A 4.0354 8.4458 123.2185 55.0306 18.4203 179.8841 32 G 2.3869 7.4838 104.1138 47.4536 0.0000 175.8775 33 L 3.6587 7.3491 121.2337 57.2131 41.4694 179.4258 34 A 3.3843 7.8485 120.8161 54.7224 18.2381 179.5378 35 K 3.9557 7.9767 118.1711 59.5068 32.0897 178.8164 36 K 3.7667 7.5085 118.2292 59.9073 32.2061 178.2435 37 C 4.1801 8.0845 115.6544 61.7379 28.1149 175.0655 38 F 5.1382 7.9518 116.7653 56.2564 39.9902 176.5990 39 G 3.9410 8.1964 106.2261 45.9998 0.0000 173.7588 40 I 3.8473 7.7134 119.5300 60.8677 38.2143 176.7524 41 A 4.4029 8.2821 128.7615 51.4723 17.4070 177.5194 42 V 4.1690 7.3283 115.4028 60.4997 32.1273 176.0827 43 D 4.3978 7.7696 119.2441 51.2785 42.2354 176.2387 44 A 3.6382 7.8433 125.6458 55.7523 18.6398 179.1712 45 D 4.6097 7.0268 115.1059 52.1834 38.1666 179.5142 *47 E 4.1663 7.7821 124.3476 54.8865 32.4603 174.3493 48 P 4.2629 0.0000 0.0000 66.0021 31.4640 179.3091 49 K 3.9732 7.9674 116.6854 59.2369 32.0415 178.8800 50 Q 3.9086 8.0616 119.4571 59.1302 28.9505 178.0455 51 L 3.8136 8.0725 121.4103 58.2821 42.1139 178.7810 52 L 3.9652 7.8133 120.1187 58.0638 42.0623 178.5238 53 E 3.9713 8.6988 119.8639 59.0604 29.3218 178.4587 54 E 3.9450 8.0184 118.6215 59.1475 30.0303 178.4709 55 L 4.2033 7.8611 118.9411 58.1272 40.1954 179.6767 56 Q 4.2366 8.5772 117.9719 58.5498 28.3345 178.8605 57 K 4.1783 7.7717 118.4333 58.8517 32.2645 177.4020 58 H 4.8895 7.7220 113.0732 55.5247 30.8457 175.5800 59 I 3.6537 8.2573 113.4426 63.5750 37.4048 178.0162 60 D 4.3447 8.0791 120.1967 56.7909 40.6994 177.1003 61 K 4.2906 7.7828 115.9539 56.5111 32.6785 177.4842 62 V 3.5552 7.0345 111.9549 60.9915 31.8546 175.9877 63 S 4.4988 8.1124 117.9313 55.5023 62.6640 171.9011 64 P 4.6802 0.0000 0.0000 62.5593 31.7480 176.8421 65 A 4.1993 9.3646 124.6112 54.4256 18.8868 177.0582 66 D 4.5899 7.5646 114.4391 51.5223 43.2907 175.8618 67 E 3.9540 8.5877 118.3545 59.5054 29.3591 179.7682 68 Q 3.6181 7.6267 117.5563 58.8759 28.1795 178.2785 69 E 4.2215 8.6475 119.9462 59.4316 29.1818 179.3775 70 K 4.0512 8.2997 119.6923 59.7063 32.2423 178.2614 71 Y 3.9897 8.1172 119.8591 60.3128 38.5805 177.5093 72 L 4.1687 7.9854 119.9141 57.9960 41.7446 179.5412 73 I 3.7332 7.6201 118.5195 64.5432 36.8030 177.9635 74 H 3.9968 7.4349 117.5716 59.0927 29.7796 176.9241 75 L 3.9891 8.0081 121.0636 57.9780 41.3203 179.6358 76 L 4.3145 8.1195 117.3895 56.9275 41.6966 178.8093 77 G 3.9104 7.8757 103.6436 45.0756 0.0000 173.6681 78 N 5.0810 7.5599 115.9591 51.1468 39.5488 173.5520 79 Y 4.7646 7.5430 117.6932 56.3292 42.4149 173.5818 80 E 4.1977 8.0230 127.1248 53.7618 29.8022 174.0865 81 P 4.0774 0.0000 0.0000 62.0647 32.4513 175.8331 82 D 4.7675 8.1745 119.0251 52.3505 41.5880 176.2684 83 D 4.7527 8.4146 119.6776 53.7698 39.5719 176.1606 84 T 3.9924 8.1840 117.9283 64.4446 68.9186 175.3038 85 H 4.7199 8.5602 125.1993 55.6746 31.1164 171.1469 86 D 4.8199 7.4281 123.4931 51.3101 42.5082 177.6915 87 E 3.9816 8.6481 117.2618 59.8818 29.0468 179.6116 88 Q 4.0400 8.1886 117.9516 59.0312 28.7679 178.4964 89 T 3.9573 8.4160 110.9584 64.6936 68.6789 176.7324 90 V 3.6358 7.6257 120.9505 65.6843 31.3845 177.5256 91 E 4.0672 8.1185 117.5531 59.4817 29.7090 178.3264 92 L 4.2770 8.3502 119.1914 57.8039 41.6185 179.3680 93 F 4.3245 8.6102 120.4905 61.5316 39.4755 178.7628 94 H 5.2403 7.9211 117.0613 55.2108 28.4313 177.9029 *96 G 3.3234 8.0922 111.0567 45.4411 0.0000 175.4676 97 E 3.7912 7.9291 121.6519 58.4324 29.5695 178.3297 98 T 4.2839 7.5246 107.0731 60.8173 69.1307 173.6848 99 E 3.8623 7.6725 123.5801 57.7702 29.4451 176.2820 100 E 4.2737 8.5984 125.2738 57.1852 31.1583 175.9090 101 H 4.8788 8.3546 115.8659 54.1014 29.3742 173.4340 102 I 3.3942 7.3533 119.0720 61.9661 38.5841 175.1558 103 W 3.9566 8.2177 125.5079 57.5155 26.4224 173.3843 104 Q 4.5570 7.9980 117.6401 54.1072 29.6776 175.2611 105 V 4.1291 8.3180 123.3084 61.0772 32.3546 174.8091 106 S 4.4560 8.5245 122.5903 57.7374 63.1246 173.3524 107 I 4.2387 8.3804 127.9638 62.6164 38.3394 175.7423 108 T 4.1917 7.5215 113.6724 61.8241 68.6997 173.3626 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 2 I 7.87 3.99 1.53 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 -0.17 0.00 0.00 3 T 7.61 3.68 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 1.16 0.00 0.00 4 S 8.66 4.00 0.00 4.01 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 5 I 7.62 3.61 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 1.54 0.70 0.90 0.00 0.00 6 A 7.92 3.98 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 7 R 7.59 2.73 0.00 1.16 1.80 0.00 2.87 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.91 0.00 8 Q 7.89 3.93 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 9 S 8.13 4.09 0.00 4.02 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 10 I 7.86 3.88 2.20 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 1.86 0.99 1.23 0.00 0.00 11 I 8.01 4.15 2.12 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 1.77 0.94 1.12 0.00 0.00 12 L 8.25 4.08 0.00 1.84 1.72 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.35 4.02 0.00 2.08 2.11 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.68 7.81 14 C 8.22 4.11 0.00 3.06 2.64 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 15 L 8.11 3.94 0.00 1.54 1.66 1.05 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 16 R 7.87 4.10 0.00 1.76 1.86 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 17 Q 7.15 2.00 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 18 K 6.28 4.51 0.00 1.62 1.65 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.29 7.81 19 S 8.91 3.95 0.00 4.07 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 20 V 7.90 4.63 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 0.85 0.00 0.00 1.01 0.00 0.00 21 L 8.38 4.18 0.00 1.08 0.77 0.66 0.70 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 22 V 8.99 4.52 2.16 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 0.79 0.00 0.00 1.08 0.00 0.00 23 S 7.20 4.76 0.00 4.11 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 24 N 8.63 4.64 0.00 2.65 2.98 0.00 0.00 6.83 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.56 4.29 0.00 3.09 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 26 E 8.56 4.11 0.00 2.14 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 2.40 2.39 0.00 27 L 7.84 3.85 0.00 1.59 1.98 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.52 4.15 0.00 3.22 3.38 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 0.00 29 Y 8.07 4.57 0.00 3.14 3.05 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 30 T 8.19 3.68 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 1.23 0.00 0.00 31 A 8.45 4.04 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.48 2.39 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 0.00 33 L 7.35 3.66 0.00 1.49 1.33 0.43 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.85 3.38 1.42 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 0.00 0.00 35 K 7.98 3.96 0.00 1.85 1.81 0.00 2.11 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.65 7.81 36 K 7.51 3.77 0.00 1.72 1.72 0.00 1.67 0.00 0.00 1.45 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.36 7.81 37 C 8.08 4.18 0.00 1.93 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 5.14 0.00 3.11 2.88 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 39 G 8.20 3.94 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 0.00 0.00 0.00 40 I 7.71 3.85 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.99 0.00 0.00 41 A 8.28 4.40 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 42 V 7.33 4.17 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 0.82 0.00 0.00 1.25 0.00 0.00 43 D 7.77 4.40 0.00 2.72 2.64 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 44 A 7.84 3.64 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 45 D 7.03 4.61 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 4.17 0.00 1.99 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 2.37 0.00 48 P 0.00 4.26 0.00 2.21 2.26 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 49 K 7.97 3.97 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 50 Q 8.06 3.91 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 51 L 8.07 3.81 0.00 1.67 1.66 0.73 -0.36 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 52 L 7.81 3.97 0.00 1.98 1.77 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.70 3.97 0.00 2.14 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 2.29 2.29 0.00 54 E 8.02 3.94 0.00 2.00 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 0.00 2.49 2.45 0.00 55 L 7.86 4.20 0.00 1.94 1.74 0.93 1.06 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 56 Q 8.58 4.24 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 57 K 7.77 4.18 0.00 1.72 1.53 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.62 7.81 58 H 7.72 4.89 0.00 3.16 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.26 3.65 1.81 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.79 1.04 0.00 0.00 60 D 8.08 4.34 0.00 2.63 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 61 K 7.78 4.29 0.00 1.84 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.53 7.81 62 V 7.03 3.56 1.32 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 0.34 0.00 0.00 0.19 0.00 0.00 63 S 8.11 4.50 0.00 3.76 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 64 P 0.00 4.68 0.00 2.50 2.13 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 65 A 9.36 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 66 D 7.56 4.59 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 67 E 8.59 3.95 0.00 1.87 1.95 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 2.35 2.29 0.00 68 Q 7.63 3.62 0.00 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 69 E 8.65 4.22 0.00 2.29 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 2.56 2.72 0.00 70 K 8.30 4.05 0.00 1.94 2.02 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 71 Y 8.12 3.99 0.00 3.20 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 72 L 7.99 4.17 0.00 2.21 1.89 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.62 3.73 2.02 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.86 0.00 0.00 74 H 7.43 4.00 0.00 2.79 2.66 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 75 L 8.01 3.99 0.00 1.84 1.67 1.09 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 76 L 8.12 4.31 0.00 1.63 1.76 1.00 0.99 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 77 G 7.88 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 78 N 7.56 5.08 0.00 2.68 2.67 0.00 0.00 6.64 7.34 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 79 Y 7.54 4.76 0.00 2.76 2.81 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 0.00 0.00 0.00 80 E 8.02 4.20 0.00 1.75 1.71 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 2.13 2.17 0.00 81 P 0.00 4.08 0.00 2.20 2.15 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 82 D 8.17 4.77 0.00 2.80 2.73 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 83 D 8.41 4.75 0.00 2.79 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 84 T 8.18 3.99 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 0.98 0.00 0.00 85 H 8.56 4.72 0.00 3.02 3.12 0.00 5.55 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.43 4.82 0.00 2.95 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 87 E 8.65 3.98 0.00 2.03 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 2.39 2.40 0.00 88 Q 8.19 4.04 0.00 2.42 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 89 T 8.42 3.96 3.13 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 0.00 0.00 1.06 0.00 0.00 90 V 7.63 3.64 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 1.07 0.00 0.00 0.96 0.00 0.00 91 E 8.12 4.07 0.00 2.05 2.17 0.00 0.00 0.00 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 2.45 0.00 92 L 8.35 4.28 0.00 2.17 1.99 1.12 1.29 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 93 F 8.61 4.32 0.00 3.39 3.25 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 0.00 94 H 7.92 5.24 0.00 3.48 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 G 8.09 3.32 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 0.00 0.00 0.00 0.00 97 E 7.93 3.79 0.00 1.70 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 2.32 2.27 0.00 98 T 7.52 4.28 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 1.26 0.00 0.00 99 E 7.67 3.86 0.00 1.83 1.75 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 2.05 2.20 0.00 100 E 8.60 4.27 0.00 1.81 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 2.18 2.45 0.00 101 H 8.35 4.88 0.00 3.20 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.35 3.39 1.53 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.25 0.78 0.00 0.00 103 W 8.22 3.96 0.00 3.53 3.27 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 0.00 104 Q 8.00 4.56 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 105 V 8.32 4.13 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 0.82 0.00 0.00 0.97 0.00 0.00 106 S 8.52 4.46 0.00 3.81 3.70 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 0.00 107 I 8.38 4.24 1.86 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 1.46 0.72 0.90 0.00 0.00 108 T 7.52 4.19 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 * Residues marked with a * may have inaccurate shift predictions.