NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8971 8.3549 109.7286 44.3822 0.0000 174.6919 4 P 4.0195 0.0000 0.0000 61.8879 32.7737 172.8850 5 E 3.8751 9.5538 125.4689 58.7110 30.6877 175.4785 6 Y 4.9150 7.5110 118.7581 56.6405 39.6110 174.9091 7 K 4.4722 10.2203 126.6912 55.8551 33.4544 176.3021 8 V 4.9252 8.6969 125.2216 61.0046 34.3592 174.2135 9 A 4.8678 9.0473 128.1126 50.0827 22.9286 174.7590 10 I 4.9936 8.3833 121.0087 59.4231 40.8421 174.2355 11 L 5.2812 9.0084 129.4482 53.8080 44.2134 174.9503 12 T 4.8457 9.3492 124.0694 62.1984 70.5786 173.9173 13 V 4.6105 8.4394 126.7202 61.6064 33.6092 174.9514 14 S 4.4868 9.1734 118.4523 56.8657 65.6052 176.5304 15 D 4.4328 9.3217 129.9359 58.2460 40.7677 179.5780 16 T 3.9639 7.7855 115.3173 66.5517 68.6054 177.0090 17 V 3.7866 8.0158 120.3982 66.0404 31.3760 178.0720 18 S 4.1789 8.0372 111.5167 60.4782 62.3166 174.9321 19 A 4.4408 7.5420 120.1922 51.7150 18.8801 177.8443 20 G 3.7842 7.9158 105.2360 45.6805 0.0000 174.4304 21 A 4.3222 7.6969 120.8993 52.2837 19.2355 177.6214 22 G 3.9836 7.4327 102.8727 44.4838 0.0000 170.6933 23 P 4.6418 0.0000 0.0000 61.1530 33.5261 173.7943 24 D 4.7981 8.4543 117.7187 53.0818 41.0407 175.9035 25 R 4.4329 8.5022 125.6204 56.7330 31.5302 178.4428 26 S 4.5803 8.2197 113.1534 60.1360 63.7750 176.0471 27 G 3.9771 9.2295 110.5499 47.4845 0.0000 173.8424 28 P 4.3054 0.0000 0.0000 64.8383 31.4038 178.6389 29 R 3.9479 7.5620 115.2500 59.0310 30.0470 178.5280 30 A 4.0208 8.2277 120.7728 54.9976 18.3160 179.6670 31 V 3.5442 8.0454 117.2488 66.3842 31.6415 178.4035 32 S 4.2733 7.8572 112.9546 60.6946 62.8410 176.5190 33 V 3.5247 7.9414 122.0266 65.8752 31.5624 177.6205 34 V 3.7360 7.7841 117.8304 66.2676 31.3380 177.5134 35 D 4.3521 8.0105 118.2921 57.5522 40.6102 178.7104 36 S 4.3486 8.4647 111.0264 59.9695 62.5496 174.9156 37 S 4.6911 8.3755 116.3755 58.4646 63.0386 175.1282 38 S 4.1124 7.9732 118.4844 62.0333 61.9050 175.5722 39 E 3.9507 8.2005 121.0623 59.3589 29.2558 178.6957 40 K 3.4366 7.9680 118.4326 59.0734 32.3988 177.8860 41 L 4.2314 8.1310 117.2747 54.9900 41.7850 177.4988 42 G 3.8337 8.8251 108.5811 45.1587 0.0000 171.2986 43 G 3.6832 10.6582 113.4643 45.3270 0.0000 172.9908 44 A 5.1055 8.5146 127.0416 50.4327 22.7360 174.9684 45 K 4.6215 8.7088 119.5959 55.1820 36.4051 174.8854 46 V 4.5358 7.9100 125.3576 62.2133 31.6766 175.9695 47 V 4.3551 8.5027 120.6169 61.5014 33.2214 175.6672 48 A 4.6799 7.3915 120.8486 51.1556 22.2867 175.1227 49 T 5.2350 8.2795 108.5388 60.7646 72.4101 172.2508 50 A 4.8119 9.0700 122.9882 51.2593 23.4656 175.1073 51 V 4.9585 8.2812 117.9397 61.5195 34.6215 174.9756 52 V 4.6844 8.5118 118.8046 59.0589 36.6144 173.3951 53 P 4.5309 0.0000 0.0000 62.3905 33.0668 176.8056 54 D 4.7606 8.7930 119.6055 53.0132 38.8967 175.1769 55 E 4.6100 7.8814 119.3642 53.8101 34.2058 176.5910 56 V 3.5933 8.7257 117.8631 64.5707 31.5771 178.2769 57 E 4.0285 8.1533 117.6172 59.7286 29.2915 179.6099 58 R 3.8836 7.8772 117.3165 59.2178 30.1288 179.1075 59 I 3.7687 7.6811 119.6874 63.9296 37.1617 178.2780 60 K 3.8201 8.7873 120.5953 59.7260 31.9772 178.7821 61 D 4.2942 8.2486 119.0502 57.6575 40.7264 179.1973 62 I 3.3032 7.1034 118.5594 64.1173 36.8932 178.4415 63 L 3.9026 7.7304 119.8185 57.8274 41.3989 179.7479 64 Q 3.9563 8.3869 118.3151 58.7873 28.7252 178.6061 65 K 3.9568 8.4358 120.9588 59.4329 31.9763 178.8421 66 W 4.6096 8.3999 118.7873 58.9992 28.7538 178.8486 67 S 4.2573 7.7255 115.8323 60.7332 62.7634 175.7811 68 D 4.6096 8.6225 119.5240 55.2781 40.8553 177.0853 69 V 4.2274 7.6284 116.5741 64.5946 33.0541 176.5388 70 D 4.4705 8.2311 116.3014 54.4752 41.2000 174.1374 71 E 3.6475 7.4158 121.4680 56.5559 29.7291 174.3427 *73 D 4.7588 8.3413 120.1981 53.9884 44.1031 175.1079 74 L 4.9230 7.9742 120.4035 53.7904 45.8971 174.5140 75 I 5.0495 8.8999 127.4826 59.6414 40.2212 174.3936 76 L 5.1964 8.9271 128.1124 53.4282 43.5861 176.3527 77 T 5.0737 8.4682 113.7516 60.4747 71.9881 173.6442 78 L 4.8059 8.5594 121.6244 54.3498 45.6752 177.9122 79 G 4.0934 9.0622 108.6159 46.3585 0.0000 172.4685 80 G 4.3637 8.5555 103.8030 46.6923 0.0000 174.9725 81 T 4.5848 7.9641 107.3518 60.9255 69.8526 174.4668 82 G 4.3303 7.7347 113.2716 45.5961 0.0000 173.5438 83 F 4.5326 8.8892 116.8524 58.6054 40.2404 176.4888 84 T 4.0039 8.0690 117.1215 63.4389 68.7016 173.1934 85 P 4.3432 0.0000 0.0000 65.4910 31.6125 178.1910 86 R 4.0129 7.8929 116.0575 58.3438 30.5200 176.0590 87 D 4.4487 8.1073 118.4415 55.0146 40.6591 176.7107 88 V 5.0051 8.0131 116.7454 59.6135 33.7496 178.3376 89 T 3.8594 8.4896 119.9565 66.3522 68.2092 174.8617 90 P 4.2760 0.0000 0.0000 65.5704 31.1076 178.4298 91 E 3.9426 8.1945 116.7559 59.3666 29.1511 179.2297 92 A 3.9868 7.6808 119.8284 55.3693 18.8095 179.3273 93 T 3.9534 8.4366 114.6121 66.9477 68.3298 176.8806 94 K 4.0060 8.4796 119.2912 59.2649 32.1374 178.8922 95 K 4.2232 7.6860 116.3893 57.7561 32.1123 177.7489 96 V 4.2985 7.6246 111.1645 60.9061 33.6071 176.0474 97 I 4.2258 7.5461 112.6505 60.4060 38.6194 174.9757 98 E 4.6715 9.0604 119.5470 56.6466 32.2776 176.9771 99 R 4.5812 7.6734 118.0664 54.4864 34.0545 174.9675 100 E 4.5286 8.9490 123.8954 56.0210 30.8322 177.2318 101 T 4.6477 7.8319 110.2689 58.6062 68.5630 173.0111 102 P 4.4547 0.0000 0.0000 66.3071 31.6100 178.8328 103 G 3.6997 8.0677 105.6500 47.7253 0.0000 175.5855 104 L 4.0693 7.9169 120.5192 57.6563 41.7292 179.2888 105 L 4.1617 7.8331 117.5557 57.4617 41.6418 178.8866 106 F 4.1204 8.4554 120.5598 60.4954 40.9058 177.3719 107 V 3.9708 8.0881 120.5758 62.9326 28.0793 175.4705 *110 Q 4.0473 7.9608 123.4216 55.5109 31.3426 176.8622 111 E 3.9920 8.2840 117.3991 59.6292 29.4997 179.7565 112 S 4.2030 7.9630 113.6022 61.2300 62.3449 176.1722 113 L 4.3901 7.6796 122.6062 57.4881 41.0971 179.0482 114 K 3.9898 7.8653 116.4802 57.8950 32.1100 178.2081 115 I 4.1960 7.7308 119.9168 62.2268 38.7078 175.6608 116 T 4.4435 6.6800 111.0370 60.5137 70.5079 172.3538 117 P 4.2402 0.0000 0.0000 65.2196 31.4515 177.7331 118 F 4.1155 8.0393 115.3843 58.7560 39.5324 176.0004 119 A 4.2136 7.7184 126.9550 52.1381 16.5310 178.6366 *121 L 4.2528 7.5832 118.7035 54.0075 43.9700 177.9662 122 S 4.4440 8.1750 114.4516 58.3480 62.7652 174.1586 123 R 4.7189 8.5181 126.5763 55.5900 30.6321 176.4912 124 S 4.3406 8.0942 113.5660 59.3207 63.7622 173.9585 125 A 4.9033 8.2556 123.4938 50.5289 22.4730 174.5398 126 A 4.8409 7.4206 117.3304 51.2336 22.7198 176.1818 127 G 4.0041 8.0172 106.4563 46.7550 0.0000 171.3214 128 I 5.0573 8.0101 120.4795 59.5169 39.8522 175.4465 129 R 4.7995 8.6970 126.2863 54.9533 33.1089 175.7802 130 G 4.2154 9.5007 117.3927 46.9937 0.0000 174.2684 131 S 4.7270 9.1410 113.8985 57.8496 63.1651 173.1823 132 T 4.5748 8.1780 118.7349 62.5558 70.6922 173.3200 133 L 4.7238 8.5937 129.4867 54.3569 43.6510 175.2132 134 I 5.0702 9.1493 127.2852 59.5879 40.6079 174.6087 135 I 4.7671 8.4952 126.9099 59.6247 40.5819 175.5009 136 N 5.7681 8.6475 124.9857 51.4376 39.9733 172.7603 *138 P 4.2190 0.0000 0.0000 62.1846 32.3885 177.5447 139 G 3.8159 8.7312 109.5877 48.4896 0.0000 174.1934 140 N 4.4448 8.0569 117.1930 52.6741 39.1189 174.1498 141 P 4.2633 0.0000 0.0000 65.5770 31.8572 177.4775 142 N 4.5210 8.1058 114.3993 55.0310 39.5114 176.8254 143 A 4.1252 7.7242 120.7859 55.5826 18.0891 179.8818 144 V 3.6450 7.7625 114.1947 65.9469 31.6855 177.6203 145 A 4.1427 7.7634 119.9345 55.1487 18.3098 179.2129 146 E 4.1495 8.0187 115.5718 59.5201 30.0591 179.5600 147 C 4.0905 8.2904 113.6349 60.8303 27.9210 175.1463 *149 E 4.2208 8.1525 123.1540 56.1274 30.8916 177.3808 150 A 4.1839 7.8213 119.5150 54.3574 18.7113 178.8075 151 L 4.2918 7.7764 116.6192 56.6089 42.0819 178.3555 152 L 4.0538 8.0621 119.3755 57.9930 41.8908 176.9611 153 P 4.4202 0.0000 0.0000 64.4518 31.5955 176.5732 154 A 4.6797 8.4998 118.3814 50.7549 20.7275 177.6015 155 L 4.2319 7.9461 117.0054 57.5942 41.9392 178.7056 156 K 3.8327 7.9331 119.5403 59.8077 32.2671 177.8576 157 H 4.1794 8.3092 117.7267 59.2495 29.4563 176.7744 158 A 3.8986 8.1769 121.9428 55.3405 18.6290 179.3994 159 L 3.9074 7.9370 117.5582 57.3652 41.3060 179.5334 160 K 4.2251 7.7658 120.3487 59.1960 32.2412 178.4573 161 Q 4.0243 8.1100 119.5989 59.3688 28.6618 177.3633 *162 I 3.9701 7.1647 119.9403 60.0220 36.2988 177.6037 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 G 8.35 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 4 P 0.00 4.02 0.00 2.10 2.00 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 5 E 9.55 3.88 0.00 1.67 1.44 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 1.51 2.03 0.00 6 Y 7.51 4.92 0.00 3.17 2.78 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 7 K 10.22 4.47 0.00 1.77 1.69 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.37 7.81 8 V 8.70 4.93 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 1.01 0.00 0.00 0.97 0.00 0.00 9 A 9.05 4.87 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 10 I 8.38 4.99 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 1.13 0.94 1.01 0.00 0.00 11 L 9.01 5.28 0.00 1.91 1.63 0.83 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 12 T 9.35 4.85 4.39 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 1.33 0.00 0.00 13 V 8.44 4.61 2.22 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 0.73 0.00 0.00 0.92 0.00 0.00 14 S 9.17 4.49 0.00 3.87 3.68 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 15 D 9.32 4.43 0.00 2.68 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 16 T 7.79 3.96 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 17 V 8.02 3.79 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 1.01 0.00 0.00 0.97 0.00 0.00 18 S 8.04 4.18 0.00 3.86 3.98 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 19 A 7.54 4.44 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 20 G 7.92 3.78 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 0.00 0.00 0.00 21 A 7.70 4.32 1.33 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 0.00 0.00 0.00 22 G 7.43 3.98 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 0.00 0.00 0.00 23 P 0.00 4.64 0.00 2.19 2.10 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 24 D 8.45 4.80 0.00 2.64 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 25 R 8.50 4.43 0.00 1.91 1.94 0.00 3.16 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 26 S 8.22 4.58 0.00 4.05 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 27 G 9.23 3.98 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 0.00 0.00 0.00 28 P 0.00 4.31 0.00 2.28 2.33 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 29 R 7.56 3.95 0.00 1.85 2.02 0.00 3.30 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 1.86 1.79 0.00 30 A 8.23 4.02 1.33 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 0.00 0.00 0.00 31 V 8.05 3.54 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 1.04 0.00 0.00 0.99 0.00 0.00 32 S 7.86 4.27 0.00 4.10 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 0.00 33 V 7.94 3.52 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 0.82 0.00 0.00 0.98 0.00 0.00 34 V 7.78 3.74 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 0.98 0.00 0.00 0.93 0.00 0.00 35 D 8.01 4.35 0.00 2.78 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 36 S 8.46 4.35 0.00 3.81 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 37 S 8.38 4.69 0.00 4.01 3.82 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 38 S 7.97 4.11 0.00 4.00 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 39 E 8.20 3.95 0.00 2.08 1.90 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 2.39 2.41 0.00 40 K 7.97 3.44 0.00 1.80 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 41 L 8.13 4.23 0.00 1.88 1.77 0.93 0.81 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 42 G 8.83 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 43 G 10.66 3.68 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 0.00 0.00 0.00 44 A 8.51 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.71 4.62 0.00 1.81 1.59 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.38 7.81 46 V 7.91 4.54 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 0.80 0.00 0.00 0.92 0.00 0.00 47 V 8.50 4.36 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 0.71 0.00 0.00 0.84 0.00 0.00 48 A 7.39 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.28 5.23 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 1.20 0.00 0.00 50 A 9.07 4.81 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 4.96 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 0.87 0.00 0.00 0.97 0.00 0.00 52 V 8.51 4.68 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 0.60 0.00 0.00 0.88 0.00 0.00 53 P 0.00 4.53 0.00 2.10 2.11 0.00 3.73 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 1.96 1.98 0.00 54 D 8.79 4.76 0.00 2.83 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 55 E 7.88 4.61 0.00 1.95 1.77 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 2.29 2.31 0.00 56 V 8.73 3.59 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 0.95 0.00 0.00 0.91 0.00 0.00 57 E 8.15 4.03 0.00 1.94 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 2.38 2.34 0.00 58 R 7.88 3.88 0.00 1.93 1.92 0.00 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0.00 *138 P 0.00 4.22 0.00 2.08 2.04 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 139 G 8.73 3.82 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 0.00 0.00 0.00 140 N 8.06 4.44 0.00 2.76 2.75 0.00 0.00 7.17 8.03 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 0.00 141 P 0.00 4.26 0.00 2.04 2.12 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 142 N 8.11 4.52 0.00 2.75 2.86 0.00 0.00 7.01 7.37 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 0.00 143 A 7.72 4.13 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 0.00 144 V 7.76 3.65 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 0.90 0.00 0.00 0.94 0.00 0.00 145 A 7.76 4.14 1.33 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 0.00 0.00 0.00 146 E 8.02 4.15 0.00 2.07 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 2.40 0.00 147 C 8.29 4.09 0.00 2.97 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 *149 E 8.15 4.22 0.00 2.06 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 0.00 2.20 2.33 0.00 150 A 7.82 4.18 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 0.00 151 L 7.78 4.29 0.00 1.70 1.72 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.06 4.05 0.00 1.62 1.73 0.93 0.94 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 0.00 153 P 0.00 4.42 0.00 2.07 2.11 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 154 A 8.50 4.68 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 0.00 155 L 7.95 4.23 0.00 1.92 1.65 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.93 3.83 0.00 2.03 1.80 0.00 1.99 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.57 7.81 157 H 8.31 4.18 0.00 3.27 3.30 0.00 5.93 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 0.00 158 A 8.18 3.90 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 0.00 159 L 7.94 3.91 0.00 0.79 0.93 0.48 0.74 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 0.00 160 K 7.77 4.23 0.00 1.87 2.02 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.47 7.81 161 Q 8.11 4.02 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.32 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 *162 I 7.16 3.97 1.98 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 1.14 0.65 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.