NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6304 8.4249 119.1638 53.4450 38.8958 173.0159 3 Y 4.5738 7.9784 120.5032 52.4401 41.3327 173.3783 4 P 4.3679 0.0000 0.0000 63.0356 32.7576 175.5683 5 V 4.0764 8.0713 120.1916 61.2100 32.5173 175.2290 6 N 4.4229 8.6495 126.1140 53.0656 39.2571 173.8542 7 P 4.3142 0.0000 0.0000 65.3597 31.8771 177.2710 8 D 4.5083 8.9738 118.1555 56.2940 41.2092 178.5701 9 L 3.8300 7.5966 116.5354 55.4897 41.1168 176.8965 *11 P 4.3210 0.0000 0.0000 62.5613 33.3913 177.9402 12 A 4.0603 8.0274 120.9911 55.1743 18.5832 179.9038 13 L 3.9013 8.2507 115.0818 55.5922 41.5469 178.3872 *15 A 4.3080 8.0481 122.2322 51.7096 20.6354 180.1790 16 V 3.6117 7.6239 114.7414 66.1771 31.5539 178.1436 17 F 4.5895 7.9561 117.5819 60.9236 38.7671 177.5258 18 Q 4.0234 8.1976 118.5510 59.4692 29.0008 177.5095 19 H 4.2285 8.5047 119.4233 59.1084 29.8437 177.5005 20 V 3.5042 8.2161 120.6452 66.0356 31.4002 178.3366 21 R 3.9643 8.0753 115.8619 59.3331 29.1926 179.0118 22 T 3.8203 7.9258 116.5827 66.6041 68.5647 176.6497 23 R 3.8495 7.9664 120.5449 59.3161 30.0044 178.6410 24 I 3.6501 7.8876 119.6816 64.4214 36.8115 178.0980 25 Q 3.9287 8.2661 120.6185 59.3105 28.8885 178.2518 26 S 4.1523 8.2262 114.1192 61.5822 62.0756 176.0362 27 E 4.0670 8.1068 120.6378 58.9866 29.2291 179.2605 28 L 4.0765 8.1309 119.4639 57.9112 41.6827 179.2307 29 D 4.3972 8.5550 119.3130 57.4473 40.5442 178.4905 30 C 4.2779 8.0078 116.0285 61.7367 28.1691 174.9305 31 Q 4.4181 7.4817 116.4522 54.3224 28.9519 175.3365 32 R 3.8723 7.8415 117.9598 57.2208 28.3090 177.4151 33 L 4.0284 7.9188 117.5925 55.3986 42.6843 176.8369 34 D 4.3745 8.0907 116.9897 54.7858 39.1277 172.3240 35 L 4.9094 7.3317 117.1930 52.6018 46.6276 176.6825 36 T 4.9094 8.3361 112.6489 58.2391 72.6367 173.5179 37 P 4.2455 0.0000 0.0000 65.6154 31.1994 177.1546 38 P 4.2971 0.0000 0.0000 65.4845 31.2015 178.4189 39 D 4.3242 7.6770 117.5176 57.3974 40.7974 178.8577 40 V 3.6166 7.7138 118.6053 66.2106 31.6072 177.4135 41 H 4.2051 8.5587 118.2264 59.4025 29.8007 177.3315 42 V 3.5365 8.0732 120.2260 66.0939 31.3556 177.9841 43 L 3.9891 8.1213 118.7491 57.5330 41.4628 179.4153 44 K 3.7675 8.0996 119.7065 59.4944 31.9381 178.9634 45 L 4.0361 7.5995 117.8809 57.6844 41.8657 179.2206 46 I 3.8315 7.6049 119.5452 64.1593 36.8067 177.9536 47 D 4.4312 7.8526 118.2267 57.2655 41.2221 177.6756 48 E 4.3425 7.9495 116.6530 57.3139 31.0845 177.4579 49 Q 4.4706 7.5389 116.7111 52.9823 29.6610 173.2513 50 R 4.0516 8.0821 117.6670 58.1232 30.8388 177.2599 51 G 3.3819 7.6810 109.9087 44.8844 0.0000 173.1166 52 L 3.7784 7.3113 121.3371 55.5412 42.6335 175.7376 53 N 5.1222 8.3259 121.9812 52.2771 41.7259 175.7958 54 L 3.9100 7.8423 126.4880 58.3795 42.1607 179.7399 55 Q 3.9745 7.9576 117.4738 59.1923 28.7955 178.2934 56 D 4.3939 8.0218 119.2970 56.8259 40.6116 178.4699 57 L 3.9726 8.0030 120.8735 58.1786 42.4899 178.9021 58 G 3.7378 7.9257 105.3895 47.6453 0.0000 175.5308 59 R 3.9204 7.7004 120.0243 59.2089 30.2528 180.4384 60 Q 4.0407 7.7570 115.3617 55.8272 30.0249 176.7978 *62 C 4.3740 7.9407 116.2083 59.0584 32.4577 173.6630 63 R 4.6785 8.0609 117.7352 53.4312 34.6199 176.4077 64 D 4.5026 8.6025 121.4700 54.3955 42.8416 177.9003 65 K 3.9330 8.6610 122.5867 59.5186 32.0982 179.0244 66 A 4.0097 7.9770 120.7378 55.0790 18.2879 179.5001 67 L 3.9385 7.7837 116.8134 58.1229 41.8073 179.5642 68 I 3.7115 7.6068 119.3674 64.7205 36.8935 178.6773 69 T 3.8400 8.3699 117.0048 66.6353 68.1633 177.0097 70 R 3.8932 7.7591 120.1987 59.0304 29.9950 179.0205 71 K 3.9162 8.0522 119.5050 59.5665 32.2113 178.9711 72 I 3.6697 8.0022 120.3452 64.2630 36.9525 178.2967 73 R 3.8612 8.2034 119.9753 59.2834 29.9388 178.1998 74 E 3.8884 8.3179 119.2310 59.4800 29.7109 178.9414 75 L 4.1473 8.1993 119.1537 57.6027 41.5056 179.4329 76 E 4.4986 8.3141 120.7037 58.7967 29.2415 179.3835 77 G 3.6973 8.1895 104.2268 46.6219 0.0000 174.7787 78 R 4.4785 7.0984 117.0792 54.7030 30.7726 175.1798 79 N 4.2068 8.1838 116.1406 54.9530 38.0781 174.6601 80 L 4.6578 8.0857 117.0801 54.6659 44.4063 177.1050 81 V 4.9961 7.7077 117.6794 60.8918 35.3995 174.4438 82 R 4.9273 9.1694 122.0577 54.5088 33.0214 174.0712 83 R 5.5037 8.6969 119.2740 54.5546 33.3323 175.0208 84 E 4.9354 9.2083 119.9256 54.2956 33.2363 174.5544 85 R 3.5243 9.1263 122.7027 56.9030 30.6728 175.2291 86 N 4.6153 8.5619 124.8018 53.0108 39.6871 174.2264 87 P 4.3263 0.0000 0.0000 65.6079 33.8335 178.2174 88 S 4.2779 8.5588 108.8106 59.1642 61.1231 175.4633 89 D 4.2926 9.6198 116.0490 55.1884 39.4171 176.9546 90 Q 3.7945 7.4162 117.6078 57.6599 27.6870 175.3453 91 R 4.4538 8.3166 116.3984 56.4496 33.3625 175.2211 92 S 4.8828 7.7430 113.7741 56.5883 65.4617 172.4632 93 F 5.0785 8.4734 117.8912 56.0271 42.5344 174.5333 94 Q 4.7696 9.0795 122.0380 54.5762 31.0656 174.5079 95 L 5.0433 8.5506 122.8913 53.3919 44.0555 175.6803 96 F 5.1400 8.8440 120.2715 55.9565 44.0482 173.3744 97 L 4.9635 8.5904 121.1813 54.0254 42.9799 177.0508 98 T 4.2399 8.3487 113.7814 61.1783 70.3900 175.3301 99 D 4.3859 8.7429 120.6874 57.3661 40.6022 178.6527 100 E 4.0259 8.1929 119.6228 59.1941 29.7910 178.8821 101 G 3.6409 8.1769 105.8399 47.7151 0.0000 175.4340 102 L 4.0265 8.1600 122.5304 57.7163 42.1698 178.8998 103 A 4.1645 8.0096 120.7527 55.4145 18.3674 179.5592 104 I 3.6925 8.1548 117.4510 64.2421 37.9112 177.6300 105 H 4.2000 8.4311 119.4397 59.3794 29.6239 177.3358 106 Q 3.8619 8.3693 120.0308 59.1297 28.5415 178.5017 107 H 4.1282 8.3371 117.0914 58.4899 28.5905 177.6206 108 A 3.9837 7.9944 121.7501 55.2757 18.3282 179.1046 109 E 3.9988 8.0891 115.6975 59.4770 29.6668 179.1335 110 A 4.1716 7.7622 120.7446 54.8390 18.5377 180.3717 111 I 3.9550 7.6136 112.2596 61.2009 38.0090 178.1719 *113 S 4.3161 8.1434 116.7351 59.4211 65.3153 175.8466 114 R 3.8330 7.7142 121.2222 59.3910 29.7261 178.5987 115 V 3.5723 7.9286 118.2172 66.1419 31.5482 177.6987 116 H 4.2263 8.0663 115.5473 58.9634 28.4194 177.2330 117 D 4.4451 8.0821 120.5010 57.5884 40.4765 178.7652 118 E 3.9612 7.9109 117.6197 59.4623 29.5030 179.2035 119 L 3.9387 7.8397 118.2467 56.6976 41.7868 178.5407 120 F 4.9788 7.4938 114.7561 57.0056 39.1007 177.4312 121 A 4.0403 7.6173 123.9193 54.7364 18.2161 178.0020 122 P 4.3524 0.0000 0.0000 64.6120 31.3594 175.9061 123 L 4.8053 7.4325 119.7542 53.2977 43.0877 177.2045 124 T 4.1699 9.0380 114.7380 60.7997 70.8051 173.7524 125 P 4.2285 0.0000 0.0000 65.9987 31.2787 179.1891 126 V 3.6311 7.7165 116.3880 65.8622 31.5032 177.7703 127 E 3.9648 8.1643 118.3916 59.3416 29.2101 179.3670 128 Q 3.8891 8.2508 117.8046 59.0534 28.8579 178.7225 129 A 4.0148 7.9514 121.6458 55.4244 18.3333 179.8743 130 T 3.8766 8.1221 114.5641 66.4878 68.5118 176.8514 131 L 3.9100 7.9756 122.4195 58.0255 42.0800 179.1024 132 V 3.4940 8.0493 118.6024 66.2467 31.4288 177.3876 133 H 4.1439 8.3047 117.8315 59.4361 29.8637 177.2324 134 L 3.9102 8.0112 120.6807 57.5726 41.5080 179.5766 135 L 3.9620 7.8727 118.9481 57.9658 41.5487 179.1037 136 D 4.3963 8.3865 119.1762 57.7258 40.6301 179.1305 137 Q 3.9557 8.2268 118.4011 58.8695 28.4014 178.5325 138 C 4.1608 7.7188 116.7524 62.8185 28.5041 175.8992 139 L 4.1237 7.8118 119.7654 57.8555 41.0564 179.4905 140 A 4.0475 8.0848 119.2104 54.6566 18.3625 178.6243 141 A 4.3066 7.5021 117.0014 52.8868 19.1025 177.4080 142 Q 4.1185 7.8199 121.6730 56.0433 28.7754 176.0459 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 N 8.42 4.63 0.00 2.60 2.66 0.00 0.00 6.83 6.66 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 3 Y 7.98 4.57 0.00 3.00 2.87 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 4 P 0.00 4.37 0.00 2.21 2.09 0.00 3.95 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 2.06 2.01 0.00 5 V 8.07 4.08 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 0.81 0.00 0.00 0.96 0.00 0.00 6 N 8.65 4.42 0.00 2.75 2.67 0.00 0.00 7.21 7.71 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 7 P 0.00 4.31 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 D 8.97 4.51 0.00 2.69 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 9 L 7.60 3.83 0.00 1.79 1.66 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *11 P 0.00 4.32 0.00 2.05 2.14 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 2.02 2.09 0.00 12 A 8.03 4.06 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 13 L 8.25 3.90 0.00 1.72 1.45 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.05 4.31 1.38 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 0.00 0.00 16 V 7.62 3.61 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 1.19 0.00 0.00 0.96 0.00 0.00 17 F 7.96 4.59 0.00 3.15 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 18 Q 8.20 4.02 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 19 H 8.50 4.23 0.00 3.31 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.22 3.50 2.33 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 1.07 0.00 0.00 1.08 0.00 0.00 21 R 8.08 3.96 0.00 2.10 2.19 0.00 2.85 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 22 T 7.93 3.82 4.44 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 0.00 0.00 1.22 0.00 0.00 23 R 7.97 3.85 0.00 1.79 1.85 0.00 3.25 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 24 I 7.89 3.65 1.94 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 1.39 0.49 0.91 0.00 0.00 25 Q 8.27 3.93 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 26 S 8.23 4.15 0.00 3.92 4.02 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 0.00 0.00 0.00 27 E 8.11 4.07 0.00 2.04 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 2.52 0.00 28 L 8.13 4.08 0.00 1.85 1.71 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.55 4.40 0.00 2.65 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 30 C 8.01 4.28 0.00 2.97 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 31 Q 7.48 4.42 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 32 R 7.84 3.87 0.00 1.92 1.98 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 33 L 7.92 4.03 0.00 1.67 1.73 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.09 4.37 0.00 2.73 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 35 L 7.33 4.91 0.00 1.61 1.50 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.34 4.91 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 37 P 0.00 4.25 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 38 P 0.00 4.30 0.00 2.16 2.10 0.00 3.55 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 2.17 0.00 39 D 7.68 4.32 0.00 2.72 2.72 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 0.00 0.00 0.00 0.00 40 V 7.71 3.62 2.25 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 1.06 0.00 0.00 1.01 0.00 0.00 41 H 8.56 4.21 0.00 3.42 3.47 0.00 5.84 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 42 V 8.07 3.54 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 0.94 0.00 0.00 0.96 0.00 0.00 43 L 8.12 3.99 0.00 1.75 1.67 0.96 0.51 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 44 K 8.10 3.77 0.00 2.03 2.05 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.58 7.81 45 L 7.60 4.04 0.00 1.76 1.66 0.73 0.64 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 46 I 7.60 3.83 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 1.33 1.29 0.84 0.00 0.00 47 D 7.85 4.43 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.34 0.00 2.01 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 0.00 2.36 2.68 0.00 49 Q 7.54 4.47 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 50 R 8.08 4.05 0.00 1.87 2.09 0.00 3.55 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 51 G 7.68 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 0.00 0.00 0.00 52 L 7.31 3.78 0.00 1.84 1.44 0.87 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.33 5.12 0.00 2.79 2.76 0.00 0.00 6.77 6.66 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 54 L 7.84 3.91 0.00 1.73 1.67 0.91 0.61 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 55 Q 7.96 3.97 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 56 D 8.02 4.39 0.00 2.77 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 57 L 8.00 3.97 0.00 1.80 1.79 0.88 1.29 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 58 G 7.93 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 59 R 7.70 3.92 0.00 1.97 2.08 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 60 Q 7.76 4.04 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 *62 C 7.94 4.37 0.00 2.95 2.92 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 63 R 8.06 4.68 0.00 1.77 1.73 0.00 3.38 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 64 D 8.60 4.50 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 3.93 0.00 1.81 1.80 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.51 7.81 66 A 7.98 4.01 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 67 L 7.78 3.94 0.00 1.89 1.71 0.91 0.88 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 68 I 7.61 3.71 1.96 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 1.50 0.88 0.89 0.00 0.00 69 T 8.37 3.84 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 1.17 0.00 0.00 70 R 7.76 3.89 0.00 1.95 1.96 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 71 K 8.05 3.92 0.00 1.87 1.93 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 72 I 8.00 3.67 1.97 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 1.59 0.68 0.87 0.00 0.00 73 R 8.20 3.86 0.00 1.96 2.06 0.00 3.08 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 74 E 8.32 3.89 0.00 2.17 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 0.00 2.30 2.34 0.00 75 L 8.20 4.15 0.00 1.71 1.70 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.31 4.50 0.00 2.15 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 2.56 2.32 0.00 77 G 8.19 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 78 R 7.10 4.48 0.00 1.95 1.94 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 79 N 8.18 4.21 0.00 2.79 2.86 0.00 0.00 6.97 8.44 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 80 L 8.09 4.66 0.00 1.72 1.68 0.93 0.63 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 81 V 7.71 5.00 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 1.04 0.00 0.00 0.93 0.00 0.00 82 R 9.17 4.93 0.00 1.92 2.00 0.00 2.79 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 83 R 8.70 5.50 0.00 1.69 1.87 0.00 2.93 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 84 E 9.21 4.94 0.00 2.11 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 0.00 2.70 2.46 0.00 85 R 9.13 3.52 0.00 1.81 1.80 0.00 3.09 0.00 0.00 2.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.48 0.00 86 N 8.56 4.62 0.00 2.81 2.60 0.00 0.00 6.77 7.02 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 87 P 0.00 4.33 0.00 2.22 2.16 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 88 S 8.56 4.28 0.00 3.86 3.37 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 89 D 9.62 4.29 0.00 2.78 2.75 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 90 Q 7.42 3.79 0.00 2.20 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 91 R 8.32 4.45 0.00 1.88 1.89 0.00 3.10 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 92 S 7.74 4.88 0.00 3.69 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 93 F 8.47 5.08 0.00 2.95 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 94 Q 9.08 4.77 0.00 2.20 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 95 L 8.55 5.04 0.00 1.41 1.45 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.84 5.14 0.00 3.02 2.87 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 97 L 8.59 4.96 0.00 1.56 1.64 0.92 0.93 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 98 T 8.35 4.24 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 1.28 0.00 0.00 99 D 8.74 4.39 0.00 2.72 2.77 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 0.00 100 E 8.19 4.03 0.00 2.04 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 0.00 2.38 2.37 0.00 101 G 8.18 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 0.00 102 L 8.16 4.03 0.00 1.83 1.87 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.01 4.16 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 0.00 104 I 8.15 3.69 1.96 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 1.42 1.55 1.00 0.00 0.00 105 H 8.43 4.20 0.00 3.33 3.59 0.00 5.84 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 0.00 106 Q 8.37 3.86 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 107 H 8.34 4.13 0.00 3.26 3.36 0.00 5.82 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 0.00 108 A 7.99 3.98 1.38 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 0.00 0.00 109 E 8.09 4.00 0.00 1.88 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 2.35 2.32 0.00 110 A 7.76 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 0.00 111 I 7.61 3.95 1.85 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 1.56 0.55 0.99 0.00 0.00 *113 S 8.14 4.32 0.00 4.07 4.20 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 0.00 114 R 7.71 3.83 0.00 1.92 2.12 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 115 V 7.93 3.57 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 0.99 0.00 0.00 0.94 0.00 0.00 116 H 8.07 4.23 0.00 3.45 3.49 0.00 5.70 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 0.00 117 D 8.08 4.45 0.00 3.05 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 0.00 118 E 7.91 3.96 0.00 2.01 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 2.32 2.62 0.00 119 L 7.84 3.94 0.00 0.78 0.70 0.68 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.49 4.98 0.00 3.21 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 0.00 121 A 7.62 4.04 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 0.00 122 P 0.00 4.35 0.00 2.21 2.22 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 123 L 7.43 4.81 0.00 1.91 1.68 1.01 1.34 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 0.00 124 T 9.04 4.17 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 0.00 125 P 0.00 4.23 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 126 V 7.72 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 1.06 0.00 0.00 0.92 0.00 0.00 127 E 8.16 3.96 0.00 2.34 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 0.00 2.33 2.35 0.00 128 Q 8.25 3.89 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 129 A 7.95 4.01 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 0.00 130 T 8.12 3.88 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 1.21 0.00 0.00 131 L 7.98 3.91 0.00 1.82 1.81 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.05 3.49 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 1.03 0.00 0.00 0.90 0.00 0.00 133 H 8.30 4.14 0.00 3.35 3.44 0.00 5.84 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 0.00 134 L 8.01 3.91 0.00 1.71 1.66 0.90 0.43 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 0.00 135 L 7.87 3.96 0.00 2.03 1.70 0.89 1.05 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 0.00 136 D 8.39 4.40 0.00 2.87 2.72 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 0.00 0.00 0.00 0.00 137 Q 8.23 3.96 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 138 C 7.72 4.16 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.81 4.12 0.00 1.91 1.72 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.08 4.05 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 0.00 141 A 7.50 4.31 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 0.00 142 Q 7.82 4.12 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.49 0.00 0.00 0.00 0.00 0.00 2.73 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.