NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.9086 8.2827 118.1588 53.4180 41.0319 176.2578 5 L 3.8193 7.9604 119.4082 57.2568 41.8745 176.7544 6 Y 3.9552 8.8245 119.4428 60.8732 39.2601 177.3529 7 F 4.1742 8.2079 116.9314 60.3712 39.4043 176.9026 8 Q 4.3060 8.6801 119.8726 59.0260 28.6927 179.3650 9 G 3.7573 8.0690 104.3634 45.3050 0.0000 175.4167 *11 S 4.3933 8.0178 118.2948 58.3949 65.0412 175.9085 12 D 4.3686 8.1883 119.9926 57.4990 40.4452 179.2598 13 V 3.5483 7.9571 118.6429 65.9236 31.5780 178.0153 14 I 3.8135 7.6625 118.9603 64.6702 37.0842 178.0818 15 E 4.0962 8.5071 119.6310 59.3339 29.2013 179.7149 16 G 3.6407 8.4841 106.1610 47.8986 0.0000 175.9212 17 R 4.6089 8.1310 121.9841 58.4303 30.0866 178.8884 18 L 4.0620 7.9339 120.0173 58.1471 42.0258 179.1350 19 K 4.2536 8.1037 119.7447 59.0723 32.0909 179.1524 20 E 3.9752 8.4964 118.7753 59.0369 29.1354 178.6594 21 L 4.4120 7.6149 116.6180 55.2935 41.9718 177.6778 22 G 3.7584 8.1566 107.6525 44.8573 0.0000 173.0726 23 F 4.9011 8.3087 118.4814 55.4521 41.4321 174.7805 24 T 4.5954 8.2820 114.3845 59.6545 70.8109 174.1926 25 L 4.3745 8.2606 123.6548 53.9939 43.6843 173.6016 26 P 4.6466 0.0000 0.0000 62.4477 30.0724 179.3193 *33 A 4.0342 8.6054 120.7649 51.7055 19.1387 176.8218 34 N 4.5802 8.6093 114.9746 54.7308 38.9142 175.1525 35 Y 4.8941 7.5777 115.6680 54.9708 40.3125 175.1428 36 V 4.3639 7.8928 113.5637 58.6364 35.0256 174.9856 37 P 4.6747 0.0000 0.0000 65.3909 32.1699 175.6529 38 F 5.5506 6.8072 110.4026 56.2363 40.9874 173.5151 39 T 4.9641 9.2849 109.8340 60.1650 72.5541 172.4940 40 I 5.1964 8.5016 122.4229 59.6925 40.5604 175.1398 41 S 4.5378 9.1025 120.7958 57.2072 65.4392 173.6646 42 G 3.8148 8.4533 118.3877 47.2824 0.0000 173.3685 43 N 4.9385 8.7556 120.2176 52.1823 37.7002 173.2420 44 L 5.0929 8.1358 119.0550 53.6331 44.7346 175.0927 45 L 5.0949 8.9732 126.2619 53.6445 44.3917 174.4301 46 Y 4.7930 9.4693 125.2305 56.5838 39.7826 174.7366 47 V 4.8307 8.6929 125.7254 60.9977 33.5339 175.6314 48 S 4.4438 9.1940 124.7421 58.2717 63.7376 174.4983 49 G 3.9784 8.7513 109.0489 46.6860 0.0000 172.6702 50 Q 4.9246 9.2626 124.2571 54.2900 31.5747 175.1665 51 L 5.0393 8.3713 122.1827 52.3924 44.5197 174.1752 52 P 4.3932 0.0000 0.0000 62.4954 33.1567 175.0930 *54 E 4.1831 8.5855 121.9963 57.3689 30.4030 175.6939 55 S 3.8169 9.6944 121.4467 59.7636 60.4601 173.2903 56 G 3.9225 8.5489 105.5872 45.6215 0.0000 174.0406 57 K 4.5687 7.6694 117.6100 53.9158 35.4636 176.1426 58 I 4.0147 8.1431 121.6140 61.1489 36.8549 176.2458 59 A 4.1722 8.7750 130.1874 53.6963 19.0201 177.4780 60 V 4.3690 7.6836 115.4324 61.3586 33.8984 174.1746 61 T 5.0010 8.6073 116.4178 60.4939 71.3767 173.7599 62 G 3.8684 9.0013 109.1967 44.6232 0.0000 172.2654 63 L 4.5188 8.6190 118.4786 53.5885 42.5485 177.0951 64 V 3.6626 8.4908 124.3721 63.9878 31.7233 176.8140 65 G 3.9629 8.9955 115.7671 45.3770 0.0000 172.8543 66 R 4.3943 7.3244 116.5299 57.4213 31.9518 175.6176 67 D 4.6553 8.3627 116.6272 55.2112 42.0070 177.5870 68 V 4.4102 7.2821 111.1362 58.7468 35.3687 174.9457 69 D 4.8918 8.1820 123.3627 51.9460 42.6538 177.6806 70 V 3.5360 8.1571 117.3665 66.1836 31.5645 177.4696 71 A 4.3060 7.8944 121.2756 54.8791 18.2561 179.6863 72 S 4.1058 8.7857 113.7211 61.6174 62.8249 176.7784 73 A 4.0156 8.2588 123.7053 55.1301 17.5941 179.7016 74 Q 4.1148 8.5801 117.1964 59.0574 28.7233 178.9534 75 R 4.2886 8.2145 120.3750 58.8713 30.0849 178.1843 76 A 3.9838 8.1507 120.3713 55.3833 18.2980 179.5302 77 A 3.9218 8.1793 119.1887 55.1832 18.2620 179.5778 78 E 3.7325 8.5065 117.5358 59.6245 29.4995 179.6925 79 L 3.8272 7.9780 118.8415 57.8295 41.5719 179.1356 80 C 4.1355 8.3766 116.8493 63.0407 28.0926 176.2310 81 A 3.8922 8.0452 122.1260 55.0182 17.9183 179.8073 82 V 3.4176 7.9368 117.2065 66.2600 31.5557 178.1059 83 N 4.3716 8.3527 116.3218 56.0737 38.2540 177.3925 84 I 3.6878 8.0076 121.6411 64.5521 37.2617 178.3997 85 L 3.9089 8.0392 119.4086 57.6393 41.3883 179.3675 86 A 4.0066 8.1254 120.7269 55.4161 18.2952 179.7839 87 Q 4.0184 8.1433 116.4934 59.0270 28.8036 179.0824 88 V 3.3395 7.9502 119.5263 65.6010 31.4877 177.8291 89 K 3.7813 8.4373 119.5842 59.5034 31.8774 178.5251 90 A 3.9471 7.9156 120.5911 55.2300 18.1412 179.3483 91 A 3.5205 7.5204 118.2632 54.4335 18.2665 178.8251 92 L 4.4221 7.5800 115.7069 53.5944 42.2490 176.4734 93 N 4.1532 9.0396 114.4052 54.4426 36.5798 175.3639 94 G 3.9546 8.8042 104.9964 45.2481 0.0000 174.3479 95 D 4.9819 7.3643 119.7399 50.8511 41.0922 176.1724 96 L 4.1318 8.0671 124.5861 56.3970 42.0881 179.2155 97 S 4.4362 7.9784 112.0610 60.0211 63.4693 175.0327 98 K 4.1007 8.2322 120.5199 57.3359 32.0305 176.6310 99 I 4.0421 7.4612 121.1092 61.6082 37.1831 175.9480 100 R 4.3013 8.9380 126.0004 58.6138 30.9912 177.4980 101 R 4.6562 7.4522 116.4621 55.1584 33.6190 173.9969 102 V 3.9774 8.8119 127.4670 62.9132 31.9223 176.5516 103 I 3.8854 8.7751 130.4962 63.9640 38.2875 176.3811 104 K 5.0728 7.7091 121.2832 55.0838 35.8908 174.2248 105 L 5.1252 8.8682 126.4906 52.9796 45.0759 174.9988 106 N 4.7385 8.8763 121.3690 51.4813 40.8268 174.1173 107 G 3.8888 8.6423 112.9107 44.5805 0.0000 171.9699 108 F 5.5175 9.1022 126.4857 55.6251 41.3356 175.2424 109 V 4.7886 8.8601 124.7081 60.6147 33.9303 174.5674 110 A 4.4202 9.0345 131.5799 52.5255 19.1129 176.2565 111 S 5.1317 8.5223 117.9175 56.8368 66.9430 174.8128 112 V 3.9825 8.4613 116.8310 60.6178 32.1955 175.9403 113 P 4.3021 0.0000 0.0000 65.2733 31.3466 177.5651 114 E 4.1854 8.1477 115.8386 57.1659 29.9057 175.9915 115 F 4.6967 8.1273 122.5045 57.2664 39.9797 175.5830 116 V 4.5189 7.2114 120.3944 60.1279 33.2312 175.3713 117 E 4.5406 5.9000 117.7590 55.6025 30.4247 178.5515 118 Q 4.2621 8.0632 120.4703 59.3507 28.8057 177.8697 119 H 4.3093 8.2815 115.8124 58.8084 28.3253 177.5918 120 L 3.9578 7.3602 120.2678 57.1697 41.8467 179.1632 121 V 3.7852 7.7975 118.0813 66.2951 31.5590 178.3207 122 I 3.8313 8.0302 119.2068 63.9866 36.8505 177.8540 123 N 4.3684 8.3496 117.9727 56.2246 38.2345 177.0449 124 G 3.8180 8.0569 106.7530 48.0695 0.0000 175.5326 125 A 3.9305 7.8527 123.0675 54.7891 18.5807 179.7744 126 S 4.1518 8.2342 113.7896 61.7471 62.7956 176.7628 127 N 4.3494 8.6631 119.6695 56.0951 38.3331 177.1389 128 L 3.9357 7.6848 121.3148 58.2942 42.2061 179.1802 129 I 3.6649 7.9475 119.4976 64.3874 37.0703 178.3730 130 A 4.0445 8.1127 121.6045 55.3587 17.9446 179.8185 131 T 3.8189 7.9825 113.6803 66.9288 68.6445 176.9005 132 V 3.8866 7.7736 112.6826 63.1639 31.8739 177.6791 133 L 4.4585 7.9756 116.6730 55.1984 42.9559 178.9143 134 G 3.7693 8.5653 107.9271 45.4969 0.0000 174.7845 135 E 3.8897 8.9500 119.0756 58.9918 29.8512 177.9986 136 P 4.3224 0.0000 0.0000 65.2661 31.4680 178.2277 137 G 3.6966 8.0668 106.0721 47.1073 0.0000 174.3397 138 R 4.0825 7.7688 120.4620 56.3510 30.5320 175.5350 139 H 5.3112 8.1947 116.3742 52.5414 32.0742 172.8842 140 A 4.3387 8.5958 121.6363 52.5060 19.6489 176.3276 141 R 5.6691 8.3881 117.0458 55.9760 33.2597 173.8640 142 A 4.9178 8.5091 124.2467 50.0252 22.8342 174.8095 143 A 5.0439 8.4783 121.2181 50.3961 21.7682 175.9262 144 V 4.5447 8.8972 115.0422 59.8895 36.6677 175.1463 145 G 4.4794 8.6686 109.6604 44.5738 0.0000 173.4697 *147 A 4.4669 8.4801 122.2359 51.5937 20.2899 176.7886 148 S 4.6227 7.2743 106.7157 58.4428 64.9827 175.3432 149 L 4.7575 7.4697 118.9405 52.0292 45.7732 174.1791 150 P 4.0888 0.0000 0.0000 64.6537 31.5867 176.9171 151 F 3.5588 8.7683 118.8775 58.0246 36.5197 174.6595 152 N 4.2036 8.3046 116.6961 54.1871 37.7117 173.7229 153 A 4.5411 7.9065 118.4945 52.3844 18.9832 179.0870 154 S 4.5305 8.7660 117.3621 60.4467 64.0333 174.5401 155 V 5.0231 7.5823 117.3286 61.3246 34.5002 173.7852 156 E 5.0976 9.5842 126.7420 54.7093 33.4928 174.1799 157 I 5.0381 8.8949 126.2933 59.7065 41.6946 174.2375 158 D 5.3857 8.7368 125.4561 51.9329 42.9563 174.4417 159 A 5.0780 8.3413 118.5862 50.9493 23.2961 175.3011 160 I 4.6728 8.5470 119.9155 59.3527 40.8924 174.9656 161 V 4.6725 8.6245 126.4969 60.9115 34.9656 173.7472 162 E 4.8913 9.5052 129.6420 55.5347 30.6952 175.0652 163 I 5.1177 8.4667 120.4386 58.7992 40.8500 175.1713 164 D 4.5693 8.6392 122.5357 53.7703 39.1282 176.0709 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 4 N 8.28 4.91 0.00 2.84 3.00 0.00 0.00 6.65 5.85 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 5 L 7.96 3.82 0.00 1.88 1.72 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.82 3.96 0.00 2.91 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 7 F 8.21 4.17 0.00 3.18 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 8 Q 8.68 4.31 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 9 G 8.07 3.76 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 0.00 *11 S 8.02 4.39 0.00 4.10 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 12 D 8.19 4.37 0.00 2.84 2.70 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 13 V 7.96 3.55 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 1.00 0.00 0.00 0.93 0.00 0.00 14 I 7.66 3.81 1.99 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 1.79 0.75 0.90 0.00 0.00 15 E 8.51 4.10 0.00 1.99 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 0.00 2.33 2.45 0.00 16 G 8.48 3.64 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 0.00 0.00 0.00 17 R 8.13 4.61 0.00 2.04 2.01 0.00 3.25 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 18 L 7.93 4.06 0.00 1.82 1.91 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.10 4.25 0.00 2.05 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 20 E 8.50 3.98 0.00 2.22 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 0.00 2.33 2.53 0.00 21 L 7.61 4.41 0.00 2.07 1.96 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.16 3.76 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 0.00 23 F 8.31 4.90 0.00 3.09 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 24 T 8.28 4.60 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 1.23 0.00 0.00 25 L 8.26 4.37 0.00 1.67 1.65 0.97 1.06 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 26 P 0.00 4.65 0.00 2.18 1.24 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 *33 A 8.61 4.03 0.95 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 34 N 8.61 4.58 0.00 2.81 2.93 0.00 0.00 6.67 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.58 4.89 0.00 3.05 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 36 V 7.89 4.36 1.82 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 0.76 0.00 0.00 0.95 0.00 0.00 37 P 0.00 4.67 0.00 2.41 2.35 0.00 3.43 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 1.78 1.90 0.00 38 F 6.81 5.55 0.00 3.16 3.08 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 39 T 9.28 4.96 4.29 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 1.22 0.00 0.00 40 I 8.50 5.20 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 1.01 0.00 0.00 41 S 9.10 4.54 0.00 3.78 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 42 G 8.45 3.81 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 0.00 0.00 0.00 43 N 8.76 4.94 0.00 3.14 3.02 0.00 0.00 5.78 6.67 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 44 L 8.14 5.09 0.00 1.90 1.61 1.01 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.97 5.09 0.00 1.69 1.62 0.87 0.56 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 46 Y 9.47 4.79 0.00 3.06 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 47 V 8.69 4.83 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 1.10 0.00 0.00 0.95 0.00 0.00 48 S 9.19 4.44 0.00 3.98 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 49 G 8.75 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 50 Q 9.26 4.92 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 51 L 8.37 5.04 0.00 1.53 1.63 1.16 1.16 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 52 P 0.00 4.39 0.00 2.13 2.38 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 *54 E 8.59 4.18 0.00 2.10 1.94 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 2.31 2.40 0.00 55 S 9.69 3.82 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 56 G 8.55 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 0.00 0.00 0.00 57 K 7.67 4.57 0.00 1.71 1.67 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.50 7.81 58 I 8.14 4.01 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.95 0.00 0.00 59 A 8.78 4.17 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 60 V 7.68 4.37 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 1.05 0.00 0.00 0.95 0.00 0.00 61 T 8.61 5.00 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 1.30 0.00 0.00 62 G 9.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.62 4.52 0.00 1.69 1.57 0.92 0.85 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 64 V 8.49 3.66 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 -0.15 0.00 0.00 0.82 0.00 0.00 65 G 9.00 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 0.00 0.00 0.00 66 R 7.32 4.39 0.00 1.71 1.83 0.00 3.23 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 1.48 1.61 0.00 67 D 8.36 4.66 0.00 2.73 2.68 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 68 V 7.28 4.41 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 0.85 0.00 0.00 0.88 0.00 0.00 69 D 8.18 4.89 0.00 2.93 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 70 V 8.16 3.54 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 1.11 0.00 0.00 1.21 0.00 0.00 71 A 7.89 4.31 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 72 S 8.79 4.11 0.00 3.99 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 73 A 8.26 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 74 Q 8.58 4.11 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 75 R 8.21 4.29 0.00 2.01 2.19 0.00 3.41 0.00 0.00 3.48 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 76 A 8.15 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 77 A 8.18 3.92 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 78 E 8.51 3.73 0.00 2.12 1.55 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 2.40 2.53 0.00 79 L 7.98 3.83 0.00 1.83 1.71 0.99 1.00 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 80 C 8.38 4.14 0.00 3.08 2.99 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 0.00 0.00 0.00 81 A 8.05 3.89 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 82 V 7.94 3.42 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 1.01 0.00 0.00 0.39 0.00 0.00 83 N 8.35 4.37 0.00 2.97 3.06 0.00 0.00 7.04 7.14 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 84 I 8.01 3.69 1.99 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 1.53 0.76 0.87 0.00 0.00 85 L 8.04 3.91 0.00 1.81 1.68 0.87 0.71 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 86 A 8.13 4.01 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 87 Q 8.14 4.02 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 88 V 7.95 3.34 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 0.90 0.00 0.00 0.92 0.00 0.00 89 K 8.44 3.78 0.00 1.85 1.95 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.35 7.81 90 A 7.92 3.95 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 91 A 7.52 3.52 0.37 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 92 L 7.58 4.42 0.00 1.68 1.66 0.82 0.53 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 93 N 9.04 4.15 0.00 2.74 2.87 0.00 0.00 7.14 8.57 0.00 0.00 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 G 8.80 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 95 D 7.36 4.98 0.00 2.72 2.49 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 0.00 0.00 0.00 0.00 96 L 8.07 4.13 0.00 1.74 1.69 0.91 0.67 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 97 S 7.98 4.44 0.00 4.27 4.15 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 98 K 8.23 4.10 0.00 1.95 1.86 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.64 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.40 7.81 99 I 7.46 4.04 1.95 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 1.26 0.53 0.90 0.00 0.00 100 R 8.94 4.30 0.00 1.81 1.99 0.00 3.21 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 101 R 7.45 4.66 0.00 1.89 1.70 0.00 3.27 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 102 V 8.81 3.98 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 0.80 0.00 0.00 0.90 0.00 0.00 103 I 8.78 3.89 1.94 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 1.06 0.60 0.87 0.00 0.00 104 K 7.71 5.07 0.00 1.80 1.52 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.49 7.81 105 L 8.87 5.13 0.00 1.52 1.39 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.88 4.74 0.00 2.63 2.16 0.00 0.00 6.45 7.72 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 0.00 107 G 8.64 3.89 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 0.00 0.00 0.00 108 F 9.10 5.52 0.00 3.08 2.90 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 0.00 109 V 8.86 4.79 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 1.06 0.00 0.00 1.02 0.00 0.00 110 A 9.03 4.42 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 0.00 111 S 8.52 5.13 0.00 3.84 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 0.00 112 V 8.46 3.98 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 0.70 0.00 0.00 1.08 0.00 0.00 113 P 0.00 4.30 0.00 2.06 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 114 E 8.15 4.19 0.00 2.00 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 2.33 2.38 0.00 115 F 8.13 4.70 0.00 3.00 3.19 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 0.00 116 V 7.21 4.52 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 0.93 0.00 0.00 0.80 0.00 0.00 117 E 5.90 4.54 0.00 1.58 1.78 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 2.16 2.05 0.00 118 Q 8.06 4.26 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 119 H 8.28 4.31 0.00 3.35 3.53 0.00 5.46 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 0.00 120 L 7.36 3.96 0.00 1.75 1.76 0.92 0.82 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 0.00 121 V 7.80 3.79 2.36 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 1.07 0.00 0.00 1.18 0.00 0.00 122 I 8.03 3.83 1.88 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 1.77 0.67 0.88 0.00 0.00 123 N 8.35 4.37 0.00 2.99 2.90 0.00 0.00 6.70 6.94 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 0.00 124 G 8.06 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 0.00 125 A 7.85 3.93 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 0.00 126 S 8.23 4.15 0.00 3.91 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 0.00 127 N 8.66 4.35 0.00 2.76 2.88 0.00 0.00 6.65 6.62 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 0.00 128 L 7.68 3.94 0.00 1.75 1.75 0.52 1.38 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 0.00 129 I 7.95 3.66 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.92 0.00 0.00 130 A 8.11 4.04 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 0.00 131 T 7.98 3.82 4.43 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 1.23 0.00 0.00 132 V 7.77 3.89 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 0.83 0.00 0.00 1.00 0.00 0.00 133 L 7.98 4.46 0.00 1.70 1.71 0.90 0.68 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 0.00 134 G 8.57 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 0.00 135 E 8.95 3.89 0.00 2.05 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 2.42 0.00 136 P 0.00 4.32 0.00 2.22 2.34 0.00 3.71 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 2.13 2.12 0.00 137 G 8.07 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 0.00 0.00 0.00 138 R 7.77 4.08 0.00 1.82 1.83 0.00 3.10 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 139 H 8.19 5.31 0.00 3.07 3.30 0.00 5.13 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 0.00 140 A 8.60 4.34 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 0.00 141 R 8.39 5.67 0.00 1.82 1.75 0.00 3.02 0.00 0.00 3.92 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 142 A 8.51 4.92 1.17 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 0.00 0.00 0.00 0.00 0.00 143 A 8.48 5.04 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 0.00 144 V 8.90 4.54 2.19 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 0.78 0.00 0.00 1.16 0.00 0.00 145 G 8.67 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *147 A 8.48 4.47 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 0.00 148 S 7.27 4.62 0.00 3.91 3.81 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 0.00 149 L 7.47 4.76 0.00 1.90 1.57 1.07 0.97 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 0.00 150 P 0.00 4.09 0.00 2.34 1.88 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 151 F 8.77 3.56 0.00 3.24 3.17 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 0.00 0.00 0.00 152 N 8.30 4.20 0.00 3.02 2.90 0.00 0.00 7.09 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.91 4.54 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 0.00 154 S 8.77 4.53 0.00 3.81 3.89 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 0.00 155 V 7.58 5.02 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 0.80 0.00 0.00 1.01 0.00 0.00 156 E 9.58 5.10 0.00 2.12 1.91 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 2.45 2.52 0.00 157 I 8.89 5.04 1.85 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 1.23 0.61 0.86 0.00 0.00 158 D 8.74 5.39 0.00 3.12 2.95 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 0.00 159 A 8.34 5.08 1.14 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 0.00 0.00 160 I 8.55 4.67 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.46 0.43 0.00 0.00 161 V 8.62 4.67 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 0.97 0.00 0.00 0.86 0.00 0.00 162 E 9.51 4.89 0.00 2.03 1.86 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 2.27 2.25 0.00 163 I 8.47 5.12 1.83 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 1.39 0.83 0.86 0.00 0.00 164 D 8.64 4.57 0.00 2.67 2.68 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 * Residues marked with a * may have inaccurate shift predictions.