NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2749 8.3293 118.8228 55.9450 29.8721 175.3809 6 N 4.4999 8.3612 121.1122 51.0446 39.9695 170.6084 7 V 3.5433 9.2530 121.9069 66.5568 31.5832 179.6491 8 Q 3.9907 8.0236 117.2410 59.3062 28.7232 178.0302 9 H 4.3016 8.2660 116.4717 58.3773 28.9317 177.7298 10 Q 4.0339 8.2571 120.4857 58.9118 28.5462 178.4661 11 L 4.0478 8.2740 121.2190 57.8834 42.1304 178.8521 12 A 4.0731 7.7766 121.1612 55.0268 18.2631 179.7051 13 Q 3.9455 8.1754 116.7273 58.9645 28.8231 178.3618 14 F 4.0654 8.2235 121.6689 61.7015 39.5434 177.3083 15 Q 4.2346 8.3933 117.3893 58.5877 28.4522 178.4584 16 Q 3.9235 7.9302 120.8769 59.1906 29.1645 178.1575 17 L 3.9429 8.4004 120.3105 57.9505 41.7295 179.6095 18 Q 4.0278 7.7553 117.9413 58.5764 28.4994 178.6195 19 Q 3.9153 7.7919 120.6016 59.1759 29.1213 178.1983 20 Q 3.9102 7.9749 118.8365 59.0263 28.6575 178.5576 21 A 3.9509 8.3912 122.0686 55.2894 18.2818 179.4278 22 Q 3.9145 7.9478 117.3404 59.0117 29.2031 178.0282 23 A 4.0407 8.0194 121.9474 55.0629 18.3390 179.7015 24 I 3.9039 7.9466 118.6224 64.4448 37.0473 178.5312 25 S 4.1004 7.8284 114.1263 61.0789 62.2699 176.3739 26 V 3.6408 7.5695 120.8911 65.8121 31.2019 178.0835 27 Q 4.0042 7.9598 117.5379 58.6796 28.6541 178.4570 28 K 3.8790 8.1963 120.8014 59.6416 31.9904 178.6719 29 Q 3.9986 7.6701 118.9212 59.2663 29.0162 177.9883 30 T 4.0380 7.6245 116.0037 66.5877 68.7597 176.8047 31 V 4.0031 7.9993 121.2626 64.6995 31.3285 178.7286 32 E 4.1696 7.8626 115.7855 56.9841 29.2341 178.7331 *34 Q 4.4607 8.0926 120.6834 56.1795 31.1238 177.9408 35 I 3.7258 8.1003 119.0791 64.4344 37.1453 178.0472 36 N 4.3311 8.2567 117.5944 56.3696 38.3842 177.3245 37 E 4.0244 8.1268 118.4477 59.6607 29.6994 179.2621 38 T 3.9042 7.8733 116.4688 66.5598 68.5116 176.8775 39 Q 4.0246 8.4422 120.3276 58.6650 28.5855 179.0364 40 K 3.9316 8.2025 119.4089 59.4371 32.1018 179.1066 41 A 3.9910 7.9304 120.9643 55.2919 18.2617 179.6674 42 L 3.9400 8.1142 117.4114 57.8040 41.4129 179.5904 43 E 3.8973 8.0361 117.7402 59.4682 29.6609 178.5298 44 E 4.0743 8.3343 119.3133 59.4530 29.5531 178.8658 45 L 4.0090 8.1710 119.2220 57.8125 41.4585 179.5503 46 S 4.1654 7.8843 113.2215 61.6575 62.7535 176.6026 47 R 4.0557 7.6521 120.7750 57.8744 30.1358 177.3094 48 A 4.1476 7.0487 119.7716 51.5251 19.2073 177.0166 49 A 4.2704 8.2231 122.4711 51.7076 19.2088 178.7876 50 D 4.3639 8.7158 120.2031 56.9796 40.9758 177.5558 51 D 4.7011 7.9022 115.7864 52.5989 39.7284 176.2464 52 A 3.9338 7.7926 123.0148 52.9360 18.7485 177.5901 53 E 4.2272 8.4852 121.3595 54.9361 30.0077 175.6622 54 V 4.5891 7.6537 125.3536 61.3098 35.5159 173.4521 55 Y 5.3044 8.6862 122.6467 56.0236 41.5202 174.8246 56 K 4.7083 9.1760 122.4013 55.1355 35.7058 175.1776 57 S 4.5829 8.5570 117.1000 58.0929 62.9251 174.7260 58 S 4.6173 8.9172 121.1458 57.0963 64.2776 175.7915 59 G 3.9223 8.2595 118.7186 46.6447 0.0000 172.1944 60 N 4.6767 9.2817 120.5759 53.4367 39.1427 173.8309 61 I 4.8022 7.5182 111.3478 59.3834 41.8380 173.6882 62 L 5.1903 8.4674 121.6530 53.0093 44.4752 176.0746 63 I 4.6302 8.8724 123.8676 59.2815 39.9803 175.0336 64 R 4.2842 8.7952 127.7222 56.4971 30.5462 175.8186 65 V 4.6196 8.1185 117.8585 59.4733 36.3274 174.8937 66 A 4.0859 8.4861 125.5392 51.7314 19.2766 178.6130 67 K 3.8547 8.8147 122.2471 59.7578 32.2166 179.0832 68 D 4.3020 7.9817 118.7643 56.4070 39.5159 177.9180 69 E 3.8835 8.0887 120.4672 58.9212 29.6254 178.4285 70 L 3.9815 7.9755 120.3107 58.3342 42.0824 179.0302 71 T 3.8429 8.1145 115.9438 66.6023 68.4055 176.2475 72 E 3.9380 8.1277 121.0253 59.2020 29.5638 178.7243 73 E 3.9739 8.1307 118.5622 59.5094 29.5234 179.4000 74 L 3.9857 8.2645 119.3218 57.5665 41.5952 179.3742 75 Q 3.9556 8.2608 119.7878 59.2274 29.0112 178.1733 76 E 3.9597 8.2944 119.6410 59.1564 29.4234 179.2036 77 K 3.8988 8.3102 119.9526 59.3906 32.2011 178.4450 78 L 3.9280 8.2712 120.9665 58.4122 41.9878 178.8852 79 E 3.9763 8.3460 118.4027 59.6826 29.3440 179.5378 80 T 3.9078 8.1131 115.8948 66.5256 68.4677 176.8550 81 L 4.0018 8.1652 121.0998 57.9376 41.6503 179.5806 82 Q 4.0533 8.4357 118.3961 58.8241 28.5606 178.6425 83 L 3.9724 8.0122 121.5351 57.9093 42.0403 178.9468 84 R 3.8522 8.0555 118.8440 59.4477 30.0454 178.0972 85 E 3.9001 8.5970 119.5325 59.1371 29.7028 178.7120 86 K 3.9493 8.0061 119.7425 59.7031 32.2718 178.9975 87 T 3.8663 8.1017 116.1002 66.6931 68.3114 176.6268 88 I 3.7108 7.9216 121.8033 64.6219 37.1282 178.4199 89 E 3.9526 8.1958 119.3022 59.2628 29.2957 179.4124 90 R 3.9308 7.9736 118.6985 59.4306 30.1512 178.6275 91 Q 4.0193 8.2638 118.0473 58.6410 28.4498 178.1121 92 E 3.9232 8.2285 119.9813 59.4267 29.7674 178.5090 93 E 4.1124 7.9892 117.4856 59.3027 29.7440 179.2399 94 R 4.1186 7.8607 118.1657 59.0025 30.0821 179.9459 95 V 3.9163 7.6924 117.1400 62.9726 31.5968 178.0582 *97 K 4.2501 8.0323 117.3486 55.9843 33.8474 178.6069 98 K 4.0421 8.0473 116.6261 59.1573 31.8355 179.2910 99 L 4.1210 8.0604 119.3853 57.8818 41.9919 179.1610 100 Q 4.2992 8.1021 117.0688 59.2261 28.4952 178.5093 101 E 4.3136 8.2094 118.5535 56.7119 29.4266 178.5149 *103 Q 4.0542 8.1079 122.6438 56.0810 31.2780 177.3585 104 V 3.6448 7.7111 116.7746 65.8294 31.3237 177.4769 105 N 4.5544 8.0391 114.3089 55.1177 38.5293 176.5549 106 I 4.0974 7.3707 121.0020 63.3063 37.7070 177.8160 107 Q 3.9721 8.0063 118.0393 58.6672 28.6539 177.1099 108 E 4.1775 7.9983 114.7855 57.1937 30.1463 176.4337 109 A 4.4385 7.2019 123.6063 51.3839 19.0173 177.3464 *111 K 4.0820 7.9198 125.1280 57.7806 32.9363 175.8447 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 5 Q 8.33 4.27 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 6 N 8.36 4.50 0.00 3.05 2.96 0.00 0.00 5.84 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.25 3.54 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 1.11 0.00 0.00 0.92 0.00 0.00 8 Q 8.02 3.99 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 9 H 8.27 4.30 0.00 3.35 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.26 4.03 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 11 L 8.27 4.05 0.00 1.81 1.87 0.87 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 12 A 7.78 4.07 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 Q 8.18 3.95 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 14 F 8.22 4.07 0.00 3.18 3.25 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 15 Q 8.39 4.23 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.74 0.00 16 Q 7.93 3.92 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 17 L 8.40 3.94 0.00 1.65 1.53 0.89 0.90 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 18 Q 7.76 4.03 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 19 Q 7.79 3.92 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 20 Q 7.97 3.91 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 21 A 8.39 3.95 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 22 Q 7.95 3.91 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 23 A 8.02 4.04 1.35 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 24 I 7.95 3.90 1.92 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 1.39 0.65 0.90 0.00 0.00 25 S 7.83 4.10 0.00 3.98 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 26 V 7.57 3.64 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 0.97 0.00 0.00 0.96 0.00 0.00 27 Q 7.96 4.00 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 28 K 8.20 3.88 0.00 1.97 1.97 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.45 7.81 29 Q 7.67 4.00 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 30 T 7.62 4.04 4.38 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 1.21 0.00 0.00 31 V 8.00 4.00 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 1.00 0.00 0.00 0.96 0.00 0.00 32 E 7.86 4.17 0.00 2.23 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 2.50 2.53 0.00 *34 Q 8.09 4.46 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 35 I 8.10 3.73 2.07 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 1.52 0.77 0.91 0.00 0.00 36 N 8.26 4.33 0.00 2.74 2.87 0.00 0.00 6.84 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 37 E 8.13 4.02 0.00 2.19 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 0.00 2.37 2.43 0.00 38 T 7.87 3.90 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 39 Q 8.44 4.02 0.00 2.19 2.15 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 2.38 2.40 0.00 40 K 8.20 3.93 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.72 7.81 41 A 7.93 3.99 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 42 L 8.11 3.94 0.00 1.85 1.73 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.04 3.90 0.00 2.16 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 2.35 2.43 0.00 44 E 8.33 4.07 0.00 2.07 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 2.32 2.41 0.00 45 L 8.17 4.01 0.00 1.96 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.88 4.17 0.00 4.04 4.01 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 0.00 0.00 0.00 47 R 7.65 4.06 0.00 1.86 2.03 0.00 3.17 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 48 A 7.05 4.15 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 49 A 8.22 4.27 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 50 D 8.72 4.36 0.00 2.65 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 51 D 7.90 4.70 0.00 2.75 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 52 A 7.79 3.93 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 53 E 8.49 4.23 0.00 1.90 1.89 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 2.16 2.16 0.00 54 V 7.65 4.59 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 0.97 0.00 0.00 0.93 0.00 0.00 55 Y 8.69 5.30 0.00 2.81 2.81 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 56 K 9.18 4.71 0.00 1.78 1.92 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.38 7.81 57 S 8.56 4.58 0.00 3.92 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 58 S 8.92 4.62 0.00 3.84 3.67 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 0.00 0.00 0.00 0.00 59 G 8.26 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 60 N 9.28 4.68 0.00 2.70 2.86 0.00 0.00 6.54 7.45 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 61 I 7.52 4.80 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 1.38 0.68 0.91 0.00 0.00 62 L 8.47 5.19 0.00 1.48 1.65 0.82 0.77 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 63 I 8.87 4.63 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 1.15 0.70 0.94 0.00 0.00 64 R 8.80 4.28 0.00 1.66 1.77 0.00 2.84 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.00 65 V 8.12 4.62 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 0.73 0.00 0.00 0.89 0.00 0.00 66 A 8.49 4.09 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 67 K 8.81 3.85 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 68 D 7.98 4.30 0.00 2.90 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 69 E 8.09 3.88 0.00 2.04 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 0.00 2.37 2.36 0.00 70 L 7.98 3.98 0.00 1.79 1.78 0.92 0.75 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 71 T 8.11 3.84 4.38 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 1.21 0.00 0.00 72 E 8.13 3.94 0.00 2.11 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 0.00 2.30 2.39 0.00 73 E 8.13 3.97 0.00 2.23 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 2.33 2.54 0.00 74 L 8.26 3.99 0.00 1.67 1.71 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.26 3.96 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 76 E 8.29 3.96 0.00 2.21 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 2.33 2.57 0.00 77 K 8.31 3.90 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 78 L 8.27 3.93 0.00 1.84 1.83 0.92 0.87 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 79 E 8.35 3.98 0.00 2.18 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 2.33 2.42 0.00 80 T 8.11 3.91 4.38 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 1.21 0.00 0.00 81 L 8.17 4.00 0.00 1.85 1.71 0.92 0.98 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 82 Q 8.44 4.05 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 83 L 8.01 3.97 0.00 1.77 1.82 0.92 0.88 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 84 R 8.06 3.85 0.00 2.06 2.04 0.00 3.20 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 85 E 8.60 3.90 0.00 2.03 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 2.32 0.00 86 K 8.01 3.95 0.00 1.88 2.00 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 87 T 8.10 3.87 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 88 I 7.92 3.71 2.01 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 1.52 0.81 0.90 0.00 0.00 89 E 8.20 3.95 0.00 2.16 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 2.32 2.45 0.00 90 R 7.97 3.93 0.00 2.04 2.05 0.00 3.09 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 91 Q 8.26 4.02 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 92 E 8.23 3.92 0.00 2.04 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 0.00 2.31 2.34 0.00 93 E 7.99 4.11 0.00 2.13 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 2.58 2.49 0.00 94 R 7.86 4.12 0.00 2.05 1.97 0.00 3.12 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 95 V 7.69 3.92 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 1.04 0.00 0.00 0.96 0.00 0.00 *97 K 8.03 4.25 0.00 2.15 1.88 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 98 K 8.05 4.04 0.00 1.83 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.58 7.81 99 L 8.06 4.12 0.00 1.55 1.69 0.76 0.16 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 0.00 100 Q 8.10 4.30 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.20 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 101 E 8.21 4.31 0.00 2.30 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 2.35 2.33 0.00 *103 Q 8.11 4.05 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 104 V 7.71 3.64 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 0.98 0.00 0.00 105 N 8.04 4.55 0.00 2.79 2.87 0.00 0.00 7.02 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 0.00 106 I 7.37 4.10 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.02 0.80 0.00 0.00 107 Q 8.01 3.97 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 108 E 8.00 4.18 0.00 2.08 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 2.32 2.24 0.00 109 A 7.20 4.44 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 K 7.92 4.08 0.00 1.89 1.84 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.