NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3034 8.2649 123.5859 51.3890 20.1561 177.2316 3 R 4.0668 8.2570 119.9244 57.7940 32.1664 173.5447 4 I 4.1025 9.6442 126.1925 61.5926 37.7757 176.9158 5 A 4.1917 9.2120 131.8116 54.0129 17.6118 181.8064 6 G 3.8817 8.8931 113.5316 44.0236 0.0000 175.9159 7 V 3.8255 8.3012 117.7142 63.7005 31.0470 176.2492 8 E 4.4206 9.0093 119.5093 55.8971 30.1607 175.8742 9 I 4.9807 7.8404 121.1096 59.5993 42.9334 172.5910 10 P 4.3616 0.0000 0.0000 63.1247 29.6036 177.8204 11 R 5.0534 9.8987 115.6402 54.1046 32.0189 172.8675 12 N 3.9445 7.2232 120.3034 53.3231 36.4901 172.9272 13 K 4.5573 8.7973 119.5282 54.0030 37.4835 176.3557 14 R 4.4595 8.2909 118.5679 56.3335 31.7916 178.3771 15 V 3.6800 8.0293 116.0621 64.7666 31.5050 178.6294 16 D 4.4216 8.1785 117.1661 57.3157 39.0141 178.2689 17 V 3.5304 7.8959 119.2069 64.7960 31.6182 177.6914 18 A 3.7245 8.9278 119.9193 55.1155 18.3586 179.2000 19 L 3.8948 7.7765 116.7293 58.1949 42.0886 179.0839 20 T 4.2794 7.6266 114.6065 66.3360 68.4929 178.0416 21 Y 5.0103 7.1253 118.1304 57.6709 37.2229 176.3486 22 I 4.6017 8.7369 120.7010 59.3106 41.1969 174.5325 23 Y 3.8136 8.5104 124.9141 61.3277 38.2465 174.6967 24 G 3.3465 8.2823 120.5690 45.6879 0.0000 172.9115 25 I 3.8013 7.7938 124.0449 59.9389 37.0341 175.8491 26 G 3.8158 7.8859 114.8558 43.6273 0.0000 173.0530 27 K 4.1589 8.3299 116.1871 57.9935 31.7701 177.3784 28 A 4.3274 7.8226 119.9654 54.5393 18.9647 179.3664 29 R 4.8142 7.7973 116.4168 58.0987 30.2833 177.8472 30 A 4.3873 8.0781 121.7631 53.1989 18.1936 178.6274 31 K 3.8158 7.5364 120.1194 57.5735 33.2786 177.2137 32 E 4.3776 8.5218 120.0069 57.9774 30.8382 177.5190 33 A 4.4650 8.3631 120.3816 54.4561 18.3313 179.3137 34 L 3.9198 7.9569 118.2617 57.5147 41.7114 178.7756 35 E 3.9087 8.2001 116.8127 60.4361 29.0779 178.4962 36 K 3.5991 8.1386 118.0707 59.5140 32.0006 177.5657 37 T 3.8219 8.0566 107.5172 62.1399 69.0821 175.2573 38 G 3.8661 7.3351 110.5664 47.3338 0.0000 173.2943 39 I 4.5100 7.4229 119.1027 58.9024 40.5434 175.6418 40 N 4.5947 8.3646 120.4167 52.5252 39.1156 172.9853 41 P 4.2379 0.0000 0.0000 64.8555 31.9505 178.1437 42 A 3.9816 8.0049 122.2413 55.8325 18.6286 177.3862 43 T 3.8404 7.6667 102.7194 61.0225 69.2936 173.2339 44 R 4.2066 8.3434 125.1763 55.9102 30.7705 177.7588 45 V 3.0877 8.9122 123.7109 66.3224 31.4708 177.4911 46 K 4.0457 8.2625 120.4902 59.1864 32.7689 177.2042 47 D 4.7619 8.4813 120.2282 53.4681 39.6776 176.5166 48 L 4.7503 7.2629 117.7525 52.3693 45.1057 178.0235 49 T 3.8873 8.7164 120.0670 64.0360 69.0834 174.9354 50 E 3.4824 9.1260 125.2593 59.8359 28.7809 179.3730 51 A 4.0623 7.9147 120.3019 55.0227 18.8155 179.1744 52 E 4.4387 8.1560 116.0554 59.8353 29.3726 179.0497 53 V 3.5954 8.8742 119.8753 65.8454 31.2966 178.0156 54 V 3.5831 8.0276 116.2678 66.6637 31.4923 178.7482 55 R 3.6713 9.0291 117.3203 59.3190 30.2434 177.6034 56 L 4.1094 8.0746 120.2139 58.2809 42.1700 178.7027 57 R 3.6873 7.7569 118.7082 59.6719 29.7333 177.9834 58 E 3.9847 8.8861 118.4718 59.3373 29.7247 176.6620 59 Y 4.4076 8.8129 119.1707 57.0492 39.7440 177.8924 60 V 3.3224 7.6169 121.3017 66.0071 32.9945 177.2613 61 E 4.0930 8.6359 121.1305 58.9857 29.5459 177.5157 62 N 4.7812 7.9570 112.4959 53.8103 39.5552 175.2471 63 T 4.4232 7.5001 117.2683 62.3976 69.9786 173.2153 64 W 4.3243 7.5983 119.8434 56.4382 28.6228 176.1390 65 K 4.3447 8.6038 121.9848 57.0213 32.9768 175.7946 66 L 4.7105 7.9918 117.5804 54.8942 45.1201 175.0740 67 E 3.5167 8.5844 116.6539 55.2787 31.7457 176.4462 68 G 3.6258 8.8534 112.1692 46.7760 0.0000 175.3773 69 E 4.2452 8.8231 115.3997 55.6118 29.3839 176.2746 70 L 4.6493 8.7692 119.5417 53.8615 49.5024 177.0336 71 R 3.8226 8.1917 120.1779 59.8092 29.6619 178.2890 72 A 4.0905 7.6755 119.5883 54.6764 18.7695 178.6383 73 E 3.8971 8.2201 117.5397 60.6634 29.4737 178.4964 74 V 3.2390 8.2939 114.6282 66.1545 31.3734 177.8949 75 A 3.8363 7.9047 119.5851 55.0298 18.7189 179.0952 76 A 3.9075 7.8360 119.1367 55.9251 18.3424 179.4967 77 N 4.1046 8.3903 114.4546 56.7463 38.3445 177.6102 78 I 3.6925 8.0595 120.6573 63.0222 37.2809 177.4444 79 K 4.2052 8.4971 118.7512 56.4839 32.3698 178.2070 80 R 3.9826 8.0381 120.5721 58.7770 30.1554 177.1994 81 L 4.6058 7.4473 117.2491 55.1035 41.3401 177.3006 82 M 4.6492 7.5910 114.4402 54.8889 32.0730 178.0621 83 D 4.8363 7.4207 121.8808 52.9971 39.1374 177.5083 84 I 3.7914 8.7749 116.5817 64.1413 37.1430 175.6635 85 G 3.5176 8.0949 113.8284 44.9530 0.0000 172.6410 86 C 3.7556 8.3156 115.0495 58.1988 29.7484 173.8492 87 Y 4.2011 9.1042 124.1787 61.0530 38.2751 178.0274 88 R 3.7217 8.1481 116.9675 57.8308 30.8541 177.1177 89 G 3.8621 10.2335 105.9965 47.5485 0.0000 175.1986 90 L 3.9633 6.7070 119.4000 55.1157 41.7440 175.2361 91 R 4.1097 8.4455 119.3709 58.5539 28.4399 178.1062 92 H 4.0396 8.0353 114.1940 59.6284 28.8164 177.3469 93 R 3.9842 7.3619 117.3016 59.6416 30.0231 178.5764 94 R 4.2101 7.7216 116.6973 56.6090 30.3482 177.1573 95 G 3.7828 8.3511 107.3215 46.1982 0.0000 173.7272 96 L 4.5668 7.4545 118.9113 51.6537 43.8025 174.4641 97 P 4.3986 0.0000 0.0000 62.9295 32.4288 176.6157 98 V 4.4084 7.9043 117.5444 61.7048 31.7657 176.3983 99 R 4.5380 7.4755 117.6872 56.5824 31.3680 177.7767 100 G 3.9062 8.3338 101.9039 46.7749 0.0000 171.5366 101 Q 4.4245 7.9172 122.1625 54.1349 32.9830 174.9997 102 R 4.2559 8.3628 119.5484 55.7130 29.1272 176.5505 103 T 4.3168 8.2110 115.0299 62.0673 69.6223 176.1080 104 R 4.0697 7.9704 122.4262 58.4803 30.3196 176.5861 105 T 4.5409 8.0794 104.2678 60.2450 69.6006 173.0722 106 N 4.1880 7.3740 121.5492 53.5492 42.8186 173.2789 107 A 4.3971 8.0373 129.0166 52.5974 19.6503 179.0743 108 R 4.0746 7.8471 117.5633 59.6926 30.0545 177.7694 109 T 4.2287 7.9107 115.7778 65.9156 69.2286 176.5456 110 R 4.4087 7.7820 117.3538 56.4235 30.1447 176.4979 111 K 4.6121 7.6622 117.9400 53.8579 35.1614 176.4923 112 G 3.8408 8.9111 111.7671 45.3869 0.0000 170.8729 113 P 3.9745 0.0000 0.0000 61.3757 32.1728 175.6386 114 R 3.6719 8.2012 121.1584 56.1191 29.0058 176.7666 115 K 4.3300 8.4122 124.2379 54.8720 32.1411 177.4066 116 T 3.2251 8.5478 116.3955 65.2088 67.9842 174.5310 117 V 3.2200 8.6018 123.0401 64.4971 30.5451 170.9698 118 A 4.8767 7.9884 119.6884 50.6883 22.1385 177.0994 119 G 4.1034 7.7641 110.3163 43.8043 0.0000 177.4941 120 K 3.9803 10.4437 126.2098 55.9780 30.1471 173.7576 121 K 4.5648 7.6943 116.9643 56.6841 36.7462 176.0059 122 K 4.6197 7.8382 121.1702 55.8407 32.0580 180.0028 123 A 4.4912 8.5307 132.0628 51.5920 22.0241 175.6972 124 P 4.8045 0.0000 0.0000 63.5119 31.2269 180.7625 125 R 3.3851 7.7579 114.9452 57.5259 27.0989 176.4141 *126 K 4.1215 7.6692 122.5536 54.8072 32.4047 177.4969 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 A 8.26 4.30 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 3 R 8.26 4.07 0.00 1.91 1.93 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 4 I 9.64 4.10 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.97 0.00 0.00 5 A 9.21 4.19 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 6 G 8.89 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 7 V 8.30 3.83 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 0.84 0.00 0.00 0.94 0.00 0.00 8 E 9.01 4.42 0.00 2.04 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 2.36 2.31 0.00 9 I 7.84 4.98 1.91 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 1.53 0.25 0.98 0.00 0.00 10 P 0.00 4.36 0.00 2.21 1.80 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 11 R 9.90 5.05 0.00 2.00 2.09 0.00 3.23 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 12 N 7.22 3.94 0.00 2.79 2.74 0.00 0.00 6.68 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 13 K 8.80 4.56 0.00 1.90 1.66 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 14 R 8.29 4.46 0.00 1.82 1.99 0.00 3.12 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 15 V 8.03 3.68 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 0.79 0.00 0.00 1.03 0.00 0.00 16 D 8.18 4.42 0.00 2.79 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 17 V 7.90 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 0.81 0.00 0.00 0.86 0.00 0.00 18 A 8.93 3.72 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 19 L 7.78 3.89 0.00 1.62 1.79 0.99 1.04 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 20 T 7.63 4.28 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 1.17 0.00 0.00 21 Y 7.13 5.01 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.74 4.60 2.02 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 1.25 1.17 1.03 0.00 0.00 23 Y 8.51 3.81 0.00 3.07 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 24 G 8.28 3.35 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 0.00 25 I 7.79 3.80 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.91 0.00 0.00 26 G 7.89 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 27 K 8.33 4.16 0.00 1.83 1.75 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 28 A 7.82 4.33 1.20 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 0.00 0.00 0.00 0.00 0.00 29 R 7.80 4.81 0.00 1.39 1.18 0.00 2.65 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.03 0.00 30 A 8.08 4.39 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 31 K 7.54 3.82 0.00 1.85 1.91 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.46 7.81 32 E 8.52 4.38 0.00 2.08 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 2.34 0.00 33 A 8.36 4.46 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 0.00 0.00 0.00 0.00 0.00 34 L 7.96 3.92 0.00 1.91 1.73 0.98 0.83 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 35 E 8.20 3.91 0.00 2.17 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 0.00 2.68 2.40 0.00 36 K 8.14 3.60 0.00 1.31 0.91 0.00 1.29 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.10 7.81 37 T 8.06 3.82 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 1.20 0.00 0.00 38 G 7.34 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 39 I 7.42 4.51 1.88 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 1.12 0.94 0.92 0.00 0.00 40 N 8.36 4.59 0.00 2.66 2.70 0.00 0.00 7.03 7.69 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 41 P 0.00 4.24 0.00 2.21 1.99 0.00 3.68 0.00 0.00 3.77 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 42 A 8.00 3.98 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 43 T 7.67 3.84 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 44 R 8.34 4.21 0.00 2.17 1.89 0.00 3.37 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 45 V 8.91 3.09 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 0.71 0.00 0.00 1.05 0.00 0.00 46 K 8.26 4.05 0.00 1.76 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.47 7.81 47 D 8.48 4.76 0.00 2.64 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 48 L 7.26 4.75 0.00 1.59 1.55 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.72 3.89 4.30 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 1.26 0.00 0.00 50 E 9.13 3.48 0.00 1.97 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 0.00 2.42 2.37 0.00 51 A 7.91 4.06 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 52 E 8.16 4.44 0.00 2.11 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 2.40 2.38 0.00 53 V 8.87 3.60 2.30 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 1.01 0.00 0.00 0.98 0.00 0.00 54 V 8.03 3.58 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 0.95 0.00 0.00 1.02 0.00 0.00 55 R 9.03 3.67 0.00 1.89 2.06 0.00 3.31 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 56 L 8.07 4.11 0.00 1.91 2.05 1.00 0.98 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 57 R 7.76 3.69 0.00 1.89 2.06 0.00 3.19 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 58 E 8.89 3.98 0.00 2.08 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 0.00 2.56 2.50 0.00 59 Y 8.81 4.41 0.00 2.85 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 60 V 7.62 3.32 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 0.96 0.00 0.00 1.13 0.00 0.00 61 E 8.64 4.09 0.00 2.10 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 2.31 2.33 0.00 62 N 7.96 4.78 0.00 2.92 2.79 0.00 0.00 6.78 7.54 0.00 0.00 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 T 7.50 4.42 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 0.00 0.00 64 W 7.60 4.32 0.00 3.25 3.23 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 0.00 65 K 8.60 4.34 0.00 1.93 1.92 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.52 7.81 66 L 7.99 4.71 0.00 1.66 1.94 1.18 1.02 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 67 E 8.58 3.52 0.00 1.97 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 2.34 2.39 0.00 68 G 8.85 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 69 E 8.82 4.25 0.00 1.92 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 2.30 2.37 0.00 70 L 8.77 4.65 0.00 1.58 1.61 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.19 3.82 0.00 0.67 1.60 0.00 3.13 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.57 0.00 72 A 7.68 4.09 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 73 E 8.22 3.90 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 2.39 2.40 0.00 74 V 8.29 3.24 2.28 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 1.04 0.00 0.00 1.03 0.00 0.00 75 A 7.90 3.84 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 76 A 7.84 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.39 4.10 0.00 2.74 2.89 0.00 0.00 7.15 7.92 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 78 I 8.06 3.69 1.89 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 1.44 1.06 0.64 0.00 0.00 79 K 8.50 4.21 0.00 1.88 1.80 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.60 7.81 80 R 8.04 3.98 0.00 1.83 2.09 0.00 3.08 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 81 L 7.45 4.61 0.00 1.75 1.62 0.98 0.73 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 82 M 7.59 4.65 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 83 D 7.42 4.84 0.00 2.76 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 84 I 8.77 3.79 1.88 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 1.35 0.81 0.92 0.00 0.00 85 G 8.09 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.32 3.76 0.00 3.16 3.16 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 0.00 0.00 0.00 0.00 87 Y 9.10 4.20 0.00 3.04 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 88 R 8.15 3.72 0.00 1.87 1.96 0.00 3.31 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 G 10.23 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 90 L 6.71 3.96 0.00 1.67 1.65 0.97 1.00 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 91 R 8.45 4.11 0.00 1.73 1.83 0.00 3.42 0.00 0.00 3.27 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.00 92 H 8.04 4.04 0.00 3.27 3.34 0.00 5.91 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 93 R 7.36 3.98 0.00 1.80 1.93 0.00 3.27 0.00 0.00 3.28 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 94 R 7.72 4.21 0.00 1.74 1.97 0.00 3.30 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 95 G 8.35 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 96 L 7.45 4.57 0.00 1.59 1.59 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.40 0.00 2.16 2.03 0.00 3.69 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 1.98 1.94 0.00 98 V 7.90 4.41 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 0.58 0.00 0.00 0.67 0.00 0.00 99 R 7.48 4.54 0.00 1.79 1.83 0.00 3.41 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 100 G 8.33 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 0.00 101 Q 7.92 4.42 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 102 R 8.36 4.26 0.00 1.84 1.84 0.00 3.17 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 103 T 8.21 4.32 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 1.24 0.00 0.00 104 R 7.97 4.07 0.00 1.80 2.00 0.00 3.18 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 105 T 8.08 4.54 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 0.00 106 N 7.37 4.19 0.00 2.67 2.77 0.00 0.00 6.87 7.42 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 0.00 107 A 8.04 4.40 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 0.00 108 R 7.85 4.07 0.00 1.79 2.00 0.00 3.25 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 109 T 7.91 4.23 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 0.00 110 R 7.78 4.41 0.00 1.79 1.93 0.00 3.12 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 111 K 7.66 4.61 0.00 1.88 1.66 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 112 G 8.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 3.97 0.00 2.05 2.00 0.00 3.72 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 2.16 0.00 114 R 8.20 3.67 0.00 1.80 1.93 0.00 3.19 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 115 K 8.41 4.33 0.00 1.72 1.79 0.00 1.65 0.00 0.00 2.03 0.00 0.00 3.23 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 116 T 8.55 3.23 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 1.23 0.00 0.00 117 V 8.60 3.22 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 0.73 0.00 0.00 0.99 0.00 0.00 118 A 7.99 4.88 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 0.00 119 G 7.76 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 0.00 0.00 0.00 120 K 10.44 3.98 0.00 1.95 1.96 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.39 7.81 121 K 7.69 4.56 0.00 1.69 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.41 7.81 122 K 7.84 4.62 0.00 1.68 0.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.35 7.81 123 A 8.53 4.49 1.20 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 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.80 0.00 2.19 1.55 0.00 3.79 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 1.98 1.99 0.00 125 R 7.76 3.39 0.00 1.85 1.92 0.00 3.24 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 *126 K 7.67 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.