NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.3225 8.2649 123.5827 51.9424 18.7854 175.4274 15 K 4.0840 8.1297 120.2266 54.3042 33.3614 176.6215 16 T 4.1123 9.0576 114.8431 61.8323 71.8213 175.5602 17 R 4.0117 8.4840 121.1609 59.2536 30.1570 179.4977 18 S 4.1735 8.0833 115.0547 61.6829 62.8877 176.6604 19 S 4.1726 8.0296 116.7004 61.6124 62.4342 176.6889 20 R 3.9602 7.7313 120.0164 58.1984 29.8670 177.7788 21 A 4.5813 7.6844 117.4821 51.1541 19.5758 177.3238 22 G 3.7656 7.7833 104.8910 45.9555 0.0000 173.4883 23 L 4.8619 7.7207 118.5864 52.9614 44.3166 176.2330 24 Q 4.5305 10.1755 118.6354 57.3176 30.3696 177.3641 25 F 4.1451 8.5947 116.5711 56.2933 39.4830 173.7972 26 P 4.4176 0.0000 0.0000 63.2191 30.0509 176.8797 27 V 3.7175 9.0256 126.7086 66.3374 31.4686 177.5748 28 G 3.6589 8.1441 105.1776 47.7513 0.0000 175.3616 29 R 3.8982 7.8532 120.4135 58.9862 30.3236 178.1926 30 V 3.5736 7.9841 118.3155 66.4656 31.4753 177.3358 31 H 4.0733 8.4610 117.7006 59.4653 29.7901 176.9550 32 R 4.0337 7.8312 120.0649 59.6050 29.9691 178.4376 33 L 4.0905 8.3312 118.9471 57.8096 41.7833 179.3110 34 L 4.1350 8.2814 119.0923 57.7897 41.4662 179.9827 35 R 4.0448 7.6899 116.7690 58.9033 30.1588 178.8756 36 K 4.1789 7.8518 115.1129 58.6274 32.6860 177.9319 37 G 3.6085 7.9700 107.7543 45.8098 0.0000 173.2219 38 N 4.1097 7.6622 116.0580 54.6719 35.9255 174.6139 39 Y 4.0683 7.3820 112.2066 59.0417 38.7406 175.5183 40 A 4.3294 7.1693 120.6077 51.7955 21.7018 176.3080 41 E 4.0919 9.0679 118.5168 59.3114 29.6241 177.9303 42 R 4.7250 7.6801 114.9358 54.1552 33.2909 175.4753 43 V 4.2684 8.0837 118.4925 60.7157 33.7536 175.6120 44 G 3.8957 8.7713 116.0072 46.0754 0.0000 172.3746 45 A 4.4559 8.4359 120.2549 52.4299 19.8257 178.9644 46 G 3.8595 7.8996 102.3262 47.0325 0.0000 174.9061 47 A 3.8996 8.2268 121.5406 54.7731 18.1213 177.2700 48 P 4.1403 0.0000 0.0000 65.9687 31.2057 178.6631 49 V 3.5598 7.7830 117.2796 65.8935 31.5155 176.5892 50 Y 3.8864 8.6652 119.3675 61.1889 38.5456 177.5908 51 L 3.9291 8.4859 120.2409 58.6159 42.1626 178.6949 52 A 4.0787 8.3825 119.7229 55.5363 18.3817 179.4306 53 A 3.8522 8.2590 119.1166 55.2870 18.3470 180.1192 54 V 3.5457 7.8877 116.8396 65.9552 31.6581 178.1088 55 L 3.8820 8.3370 119.0632 57.9087 41.4662 178.9556 56 E 2.5400 7.8003 119.2637 58.9645 29.3495 178.3323 57 Y 4.0642 7.7845 119.2115 60.8335 38.8057 178.0846 58 L 3.5551 8.0230 120.1236 57.4012 41.5343 179.0872 59 T 4.0618 7.8356 108.6937 63.3531 69.2138 176.5180 60 A 4.1076 7.4254 123.7537 54.3021 18.8817 179.1244 61 E 3.6982 7.8481 118.0589 59.5033 29.7439 178.9588 62 I 3.6901 7.3245 118.8052 64.0101 38.0213 177.8522 63 L 4.1686 7.7623 119.8062 57.3452 41.3433 179.1024 64 E 3.8722 8.0065 119.1004 59.3955 29.5809 178.9490 65 L 3.9804 7.7707 118.2995 57.4885 41.5661 179.3753 66 A 4.0480 8.5668 121.3067 55.1414 18.1814 179.5724 67 G 3.7353 8.1702 103.1693 48.2839 0.0000 175.0875 68 N 4.4506 8.1417 118.7287 56.0103 38.4413 177.3349 69 A 3.9388 8.2540 122.0315 55.1469 18.3435 179.3942 70 A 3.5184 8.0449 118.8764 54.3536 18.3559 179.8481 71 R 3.8317 7.9574 118.0078 59.4780 30.0752 178.1919 72 D 4.4359 8.1001 116.4298 56.4777 40.9911 176.5778 73 N 4.8644 7.4021 115.4134 52.3540 39.2654 174.8212 74 K 3.8317 7.8380 115.0443 57.8881 30.2008 174.7209 75 K 4.7573 8.1828 115.3163 55.1242 35.8997 177.0143 76 T 4.3942 8.4304 115.6071 63.3460 70.1346 174.6934 77 R 4.5483 7.6993 121.0256 53.8063 32.1347 174.9419 78 I 3.9944 8.5214 126.8925 61.4904 37.8091 175.2348 79 I 4.6205 8.0617 117.0135 57.6162 40.9918 174.4212 80 P 4.1540 0.0000 0.0000 66.1014 30.9328 178.3811 81 R 3.8654 8.0737 116.4882 60.2094 29.7485 177.9417 82 H 4.2790 8.1057 115.5882 58.8820 28.7022 177.7999 83 L 4.0337 7.9392 120.7347 57.6049 41.2922 179.4768 84 Q 3.9172 7.9569 119.0679 59.3020 28.7393 177.8050 85 L 3.9382 8.1413 119.9176 57.8102 41.3680 179.6475 86 A 3.9707 7.7696 119.7577 55.2507 18.6416 179.5003 87 V 3.6271 7.8435 116.7449 66.3310 31.4957 178.4081 88 R 3.9504 8.1923 117.1054 58.5145 30.0677 177.3892 89 N 4.5832 7.6734 112.9662 53.2792 39.2816 174.7129 90 D 4.7837 7.9660 119.2512 52.3827 42.6516 175.6927 91 E 3.8934 8.8083 127.0939 60.0363 29.4790 179.4377 92 E 3.9928 8.0567 117.2369 59.5540 29.7601 179.0993 93 L 3.9339 8.1390 118.9378 58.1279 41.5053 179.1986 94 N 4.2740 8.1652 115.6449 56.3814 39.0359 176.6223 95 K 4.0710 7.6894 121.1793 59.3911 32.2415 178.6073 96 L 4.0953 8.0586 119.2955 56.9502 42.4747 176.8292 97 L 4.8405 8.1381 119.5004 54.2216 42.4566 178.3410 98 G 3.8302 8.1581 108.2945 47.5200 0.0000 175.1834 99 R 4.6207 7.8018 117.5655 55.6962 31.4462 174.9146 100 V 4.2779 7.3998 116.7658 61.4229 33.1444 175.6575 101 T 4.3510 8.1107 121.5475 61.5609 69.8292 174.2990 102 I 3.8463 8.2747 128.1983 60.3233 36.5884 176.1607 103 A 3.9712 8.6135 128.4007 53.7863 18.7822 176.6839 104 Q 3.3428 8.4972 117.2483 57.4351 26.4479 174.9820 105 G 3.8823 8.0102 104.2414 44.0884 0.0000 175.1660 106 G 3.9041 8.0345 107.9690 45.1648 0.0000 172.3635 107 V 4.5628 7.8616 110.5678 58.9515 35.6978 175.1650 108 L 4.1567 8.2618 121.0600 53.9665 41.9620 175.8598 109 P 4.2195 0.0000 0.0000 62.6209 31.7800 175.5618 110 N 4.2222 8.0027 115.5040 53.3790 40.9669 173.3123 111 I 4.5182 8.2592 126.8447 59.0164 39.7178 175.9916 112 Q 4.1610 8.4905 123.2592 56.1851 29.6199 177.8627 113 S 4.1408 8.7900 117.3556 62.1429 62.9516 177.1491 114 V 3.7761 7.8095 109.5854 62.9475 31.1685 176.5962 115 L 4.4991 7.3575 119.2687 54.6981 42.5262 176.9625 116 L 4.1791 7.7267 119.8471 53.4482 42.1193 175.7216 117 P 4.3737 0.0000 0.0000 62.9728 32.2289 175.9081 118 K 3.5934 8.4727 117.7866 57.2499 32.7898 173.2961 119 K 4.4944 7.9232 116.7375 54.9485 35.3500 175.8195 *920 T 4.1325 8.3767 118.0004 63.9599 68.7665 174.0841 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 14 A 8.26 4.32 1.29 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 0.00 0.00 0.00 15 K 8.13 4.08 0.00 1.85 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.49 7.81 16 T 9.06 4.11 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 1.22 0.00 0.00 17 R 8.48 4.01 0.00 1.90 2.05 0.00 3.17 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 18 S 8.08 4.17 0.00 3.89 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 19 S 8.03 4.17 0.00 4.09 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 20 R 7.73 3.96 0.00 2.03 2.05 0.00 3.16 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 21 A 7.68 4.58 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 22 G 7.78 3.77 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 0.00 0.00 0.00 23 L 7.72 4.86 0.00 1.69 1.80 0.96 0.70 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 24 Q 10.18 4.53 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 25 F 8.59 4.15 0.00 2.93 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 26 P 0.00 4.42 0.00 2.25 2.21 0.00 3.55 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 2.05 1.93 0.00 27 V 9.03 3.72 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 1.17 0.00 0.00 0.98 0.00 0.00 28 G 8.14 3.66 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 0.00 0.00 0.00 29 R 7.85 3.90 0.00 1.89 2.04 0.00 3.22 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 30 V 7.98 3.57 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 1.10 0.00 0.00 1.05 0.00 0.00 31 H 8.46 4.07 0.00 3.42 3.42 0.00 5.65 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 32 R 7.83 4.03 0.00 2.01 2.07 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 33 L 8.33 4.09 0.00 1.93 1.78 0.95 0.92 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 34 L 8.28 4.13 0.00 1.95 1.78 0.86 0.76 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 35 R 7.69 4.04 0.00 2.13 2.01 0.00 3.16 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 1.72 1.89 0.00 36 K 7.85 4.18 0.00 1.90 1.97 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.42 7.81 37 G 7.97 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 0.00 0.00 0.00 38 N 7.66 4.11 0.00 2.70 2.79 0.00 0.00 7.00 7.27 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 39 Y 7.38 4.07 0.00 3.05 3.04 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 40 A 7.17 4.33 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 41 E 9.07 4.09 0.00 1.98 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 2.32 2.28 0.00 42 R 7.68 4.73 0.00 1.77 1.82 0.00 3.16 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 V 8.08 4.27 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 0.74 0.00 0.00 0.98 0.00 0.00 44 G 8.77 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.44 4.46 1.31 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 0.00 0.00 46 G 7.90 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 47 A 8.23 3.90 1.25 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 0.00 0.00 48 P 0.00 4.14 0.00 2.30 2.28 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.81 0.00 49 V 7.78 3.56 2.26 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 1.12 0.00 0.00 0.96 0.00 0.00 50 Y 8.67 3.89 0.00 3.20 2.97 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 51 L 8.49 3.93 0.00 1.82 1.83 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.38 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 3.85 1.26 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 0.00 0.00 0.00 54 V 7.89 3.55 2.27 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 1.17 0.00 0.00 0.99 0.00 0.00 55 L 8.34 3.88 0.00 1.82 1.79 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.80 2.54 0.00 1.16 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 2.11 2.08 0.00 57 Y 7.78 4.06 0.00 2.95 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 58 L 8.02 3.56 0.00 1.76 1.58 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.84 4.06 4.34 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 1.40 0.00 0.00 60 A 7.43 4.11 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 61 E 7.85 3.70 0.00 1.60 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 2.11 2.23 0.00 62 I 7.32 3.69 1.81 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 1.50 1.00 0.92 0.00 0.00 63 L 7.76 4.17 0.00 1.73 1.70 0.97 1.22 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 64 E 8.01 3.87 0.00 2.15 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 0.00 2.29 2.38 0.00 65 L 7.77 3.98 0.00 1.86 1.68 0.89 0.76 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 66 A 8.57 4.05 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 67 G 8.17 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 68 N 8.14 4.45 0.00 2.92 2.86 0.00 0.00 6.96 7.30 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 69 A 8.25 3.94 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 70 A 8.04 3.52 1.18 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 71 R 7.96 3.83 0.00 1.86 2.12 0.00 3.09 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 1.61 1.65 0.00 72 D 8.10 4.44 0.00 2.82 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 73 N 7.40 4.86 0.00 2.81 2.82 0.00 0.00 7.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.84 3.83 0.00 1.85 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 75 K 8.18 4.76 0.00 1.79 1.70 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.60 7.81 76 T 8.43 4.39 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 1.21 0.00 0.00 77 R 7.70 4.55 0.00 1.73 1.79 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 78 I 8.52 3.99 1.90 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 1.48 0.66 0.96 0.00 0.00 79 I 8.06 4.62 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.68 0.94 0.00 0.00 80 P 0.00 4.15 0.00 2.34 2.31 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 81 R 8.07 3.87 0.00 1.83 1.85 0.00 3.16 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 82 H 8.11 4.28 0.00 3.38 3.30 0.00 5.69 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 83 L 7.94 4.03 0.00 1.88 1.72 0.93 0.83 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 84 Q 7.96 3.92 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 85 L 8.14 3.94 0.00 1.88 1.73 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.77 3.97 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 87 V 7.84 3.63 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 1.09 0.00 0.00 1.00 0.00 0.00 88 R 8.19 3.95 0.00 1.83 1.99 0.00 3.43 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 89 N 7.67 4.58 0.00 2.95 2.85 0.00 0.00 6.74 7.94 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 90 D 7.97 4.78 0.00 2.81 2.63 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 91 E 8.81 3.89 0.00 2.04 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 2.42 2.45 0.00 92 E 8.06 3.99 0.00 2.01 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 2.41 2.41 0.00 93 L 8.14 3.93 0.00 1.81 1.71 0.87 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.17 4.27 0.00 2.90 3.09 0.00 0.00 7.24 6.91 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 95 K 7.69 4.07 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 96 L 8.06 4.10 0.00 1.64 1.85 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.14 4.84 0.00 1.70 1.59 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.16 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 99 R 7.80 4.62 0.00 1.76 1.89 0.00 3.35 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 100 V 7.40 4.28 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 0.79 0.00 0.00 0.94 0.00 0.00 101 T 8.11 4.35 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 1.21 0.00 0.00 102 I 8.27 3.85 1.87 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 1.35 0.47 0.91 0.00 0.00 103 A 8.61 3.97 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 0.00 104 Q 8.50 3.34 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 105 G 8.01 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 0.00 0.00 0.00 106 G 8.03 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.86 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.26 4.16 0.00 1.63 1.60 0.94 1.02 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 0.00 109 P 0.00 4.22 0.00 2.04 1.99 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 110 N 8.00 4.22 0.00 2.60 2.67 0.00 0.00 6.96 7.94 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 0.00 111 I 8.26 4.52 1.87 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 1.41 0.77 0.91 0.00 0.00 112 Q 8.49 4.16 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 113 S 8.79 4.14 0.00 3.88 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 0.00 114 V 7.81 3.78 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 0.70 0.00 0.00 0.93 0.00 0.00 115 L 7.36 4.50 0.00 1.73 1.70 0.92 0.94 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 0.00 116 L 7.73 4.18 0.00 1.65 1.59 0.92 0.82 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 0.00 117 P 0.00 4.37 0.00 2.17 2.10 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 118 K 8.47 3.59 0.00 2.00 1.92 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.40 7.81 119 K 7.92 4.49 0.00 1.67 1.66 0.00 1.81 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 1.31 1.45 7.81 *920 T 8.38 4.13 4.37 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.