NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 4.0503 8.2127 108.0324 46.2772 0.0000 173.2566 13 L 5.3468 7.7526 119.5112 51.5678 45.2841 174.6312 14 T 4.7479 8.9499 115.6181 59.9526 73.2404 171.8506 15 L 4.7217 8.4867 125.4960 53.4339 43.3549 176.4196 16 G 3.9133 8.9166 115.9815 44.5760 0.0000 174.6587 17 G 3.5930 8.5378 109.3979 47.9742 0.0000 174.4319 18 D 4.3999 7.9980 117.4642 54.0413 39.7215 177.1813 19 G 3.8944 8.3904 108.8737 45.3791 0.0000 172.9249 20 I 4.6115 7.5816 120.7033 59.3123 39.3186 175.0563 21 L 4.6549 8.7027 127.7612 54.5445 42.7516 176.6199 22 R 4.7946 9.1005 122.5865 54.3634 33.1364 174.2608 23 L 5.0712 9.1254 127.0166 53.5443 44.6459 175.2745 24 T 4.8890 9.0223 124.3343 62.5144 68.8453 174.1776 25 W 5.1747 8.5733 135.0000 55.1455 34.0579 173.0137 26 P 3.4856 0.0000 0.0000 62.0242 31.9044 177.1674 27 R 4.1542 8.2251 117.1045 58.9714 30.3655 176.1947 28 G 3.7511 7.1617 109.9259 45.0467 0.0000 174.0661 29 A 4.2158 8.5846 126.0377 52.5726 19.2246 177.2308 30 A 4.1690 7.6210 119.4790 51.4294 19.2345 177.2174 31 I 4.4246 8.1719 122.9887 59.1580 39.6720 175.2629 32 T 4.7736 8.1936 115.3546 59.1354 72.9269 174.5826 33 A 4.0278 8.5256 123.7068 55.4166 18.4574 179.9841 34 A 4.0015 8.0576 118.8376 55.2041 18.3878 179.1724 35 D 4.3179 8.2874 116.3281 57.6668 41.1962 178.4465 36 A 3.6372 7.9170 119.8056 54.9260 18.3572 178.9553 37 E 3.9696 8.0576 117.2313 59.2913 30.0687 178.5832 38 R 4.0646 8.3093 118.8146 59.2389 30.1093 178.4072 39 A 3.8166 7.9841 117.9101 53.1136 18.5904 178.6836 *41 L 4.1526 7.8004 122.6987 56.5065 43.9376 179.3139 42 R 3.9604 7.9948 117.4588 59.1057 29.8695 179.1194 43 V 3.5837 7.8501 118.0697 66.2193 31.5108 177.9384 44 N 4.3540 8.0561 115.5484 56.3652 38.2658 177.1667 45 Q 4.0077 8.2186 118.8476 59.0292 28.8907 178.5718 46 L 4.1110 8.0509 120.4986 58.3423 42.5421 178.4863 47 C 4.3439 8.4053 116.9365 58.8767 28.1906 176.6371 48 G 3.9293 8.5062 107.7159 47.0945 0.0000 175.6320 49 D 4.5817 9.0982 124.9256 54.5099 41.4501 175.7766 50 D 4.8275 7.6049 118.7004 52.8585 42.5301 175.8508 51 R 4.6755 7.9678 118.7271 54.8714 33.3337 175.0586 52 H 5.0000 8.3067 117.0157 53.4652 33.3258 173.5581 53 P 4.4698 0.0000 0.0000 62.1671 33.5296 174.1039 *55 L 4.1793 8.4025 122.1584 55.9580 43.5228 177.1221 56 V 4.6767 8.4564 126.8144 61.7102 32.1151 174.6850 57 D 4.6652 9.4220 128.6752 52.7924 43.2547 176.1874 *59 A 4.4196 8.2269 122.8977 52.2129 19.7900 177.9039 60 T 4.2366 8.0018 109.8484 64.6260 69.9213 174.4131 61 T 4.5036 7.3003 115.4228 59.5041 70.2533 173.8983 62 A 4.0643 8.6220 128.9193 55.2142 18.3332 179.8135 63 D 4.2807 7.8494 117.5176 57.0193 40.7194 178.9776 64 V 3.4064 7.6284 119.1875 66.2752 31.6108 178.3661 65 S 4.4317 8.1097 116.3101 61.6844 62.7681 177.4331 66 R 4.0510 7.6984 124.3056 61.3738 29.0951 184.0141 67 G 3.7628 8.0283 106.5256 47.3894 0.0000 175.7998 68 A 4.0873 8.5614 125.9854 55.5403 18.2594 180.6070 69 R 4.0174 8.1619 119.2233 61.3643 29.0411 181.8691 70 A 4.2591 8.1252 123.5234 55.8123 18.1827 180.8604 71 V 3.3988 7.8730 117.1718 65.9156 31.7164 179.8718 72 F 4.7268 7.9007 119.6360 60.8354 39.3925 177.5441 73 G 3.7015 8.2360 104.9655 45.7887 0.0000 174.0555 74 R 4.0410 6.8374 118.4501 55.0986 30.0769 174.9919 75 P 4.3713 0.0000 0.0000 62.7045 32.2831 175.5938 76 C 4.4416 8.1002 119.3363 58.8297 33.3458 173.3726 77 Q 4.3490 8.7253 125.2391 55.6677 28.7408 175.3962 78 A 4.4311 7.7221 122.3105 51.3675 19.5084 178.1951 79 S 4.3925 8.6817 117.8413 60.5939 63.9010 174.2534 80 R 4.8605 7.3518 114.1291 55.3371 32.0442 174.6226 81 I 4.7717 9.2419 120.9292 59.7618 40.6301 174.2093 82 A 5.1571 9.0548 129.4300 50.7120 20.4279 175.9241 83 L 4.6420 9.2796 123.2274 52.8715 44.3420 175.2428 84 L 4.8069 8.6629 126.6913 53.4160 43.8776 175.3994 85 G 4.4182 8.5414 113.8430 44.7712 0.0000 172.9939 86 S 4.8972 9.7345 114.7023 58.1147 64.1844 174.2763 87 S 4.6868 7.7452 113.5924 55.5230 65.3001 174.0014 88 P 4.3262 0.0000 0.0000 65.7352 30.9002 179.2881 89 V 3.6562 7.6942 117.6805 64.5646 31.2123 177.7619 90 D 4.5525 8.3090 118.9904 56.1441 40.6022 178.1925 91 R 3.2648 7.5246 120.1262 59.0751 29.8780 178.4864 92 V 3.6171 7.6954 118.1424 65.6623 31.4288 178.0799 93 L 4.0948 7.7554 118.3832 57.3892 41.5687 178.8817 94 A 4.1410 8.0466 120.7814 55.5123 18.3266 179.5025 95 N 4.3765 8.3241 114.9421 56.1975 38.4601 177.4241 96 F 4.1629 8.3727 122.1951 61.3185 39.6200 176.9275 97 F 4.0034 8.5994 120.1466 61.4359 39.2558 177.1179 98 L 4.1629 8.6426 119.1924 57.5475 40.8772 179.8735 99 G 3.4891 8.3676 106.0015 47.8008 0.0000 175.8255 100 I 3.5541 7.4224 121.7309 63.8201 37.2133 177.5187 101 N 4.4092 7.5589 113.0612 51.9189 39.1275 174.7178 102 A 3.7445 7.5532 121.9616 52.5603 16.8621 178.2288 103 V 3.6230 7.6066 120.2221 63.6471 31.9411 173.9236 104 P 4.6121 0.0000 0.0000 64.2599 31.9862 175.6608 105 C 4.6386 7.7848 113.7612 56.1809 31.7637 171.4551 106 P 4.7410 0.0000 0.0000 63.4095 31.9115 175.9561 107 T 5.4719 8.5919 112.3736 60.3011 72.1180 172.8888 108 K 4.3170 8.6465 123.6637 54.8952 36.0903 174.1746 109 F 5.1495 8.1999 127.7319 56.9397 40.7800 174.7075 110 F 4.6653 8.3105 123.5322 55.7029 43.3809 175.3275 111 T 4.9143 8.3867 107.9642 60.1169 69.4982 173.9491 112 S 4.6180 7.7161 117.1497 56.4318 64.7092 173.8296 113 E 3.7943 8.6753 129.8453 59.3755 29.5096 178.8913 114 R 3.8556 7.8272 117.6937 59.2197 30.2254 178.5111 115 D 4.3142 8.1619 118.4684 57.2058 40.8422 178.6027 116 A 2.0000 7.6021 121.2333 54.6518 18.4813 179.6275 117 L 3.9073 7.9198 117.4167 58.2043 41.4382 180.0682 118 T 3.8701 7.6410 114.8033 66.3942 68.7232 176.1891 119 W 4.3077 8.2257 130.2788 60.5100 30.5254 178.0434 120 L 3.8821 8.1115 117.8523 57.4377 41.0922 178.9541 121 A 4.0988 7.5845 119.2385 53.8111 19.5318 178.1640 122 L 4.2824 7.2292 119.3357 54.2089 40.1486 177.2910 123 T 4.0943 7.1064 112.2570 61.8933 68.8025 174.3701 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 12 G 8.21 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.75 5.35 0.00 1.70 1.52 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.95 4.75 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 15 L 8.49 4.72 0.00 1.60 1.56 0.68 0.88 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 16 G 8.92 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 17 G 8.54 3.59 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 0.00 0.00 0.00 18 D 8.00 4.40 0.00 2.80 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 19 G 8.39 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 20 I 7.58 4.61 1.98 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 1.23 0.64 0.91 0.00 0.00 21 L 8.70 4.65 0.00 1.62 1.60 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 R 9.10 4.79 0.00 1.71 1.82 0.00 3.08 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 23 L 9.13 5.07 0.00 1.72 1.54 0.99 0.67 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 24 T 9.02 4.89 4.28 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 1.22 0.00 0.00 25 W 8.57 5.17 0.00 3.22 3.05 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 0.00 0.00 0.00 26 P 0.00 3.49 0.00 1.79 0.85 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.00 27 R 8.23 4.15 0.00 1.85 1.89 0.00 3.26 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 28 G 7.16 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 0.00 0.00 0.00 29 A 8.58 4.22 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 30 A 7.62 4.17 1.21 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 0.00 0.00 0.00 0.00 0.00 31 I 8.17 4.42 1.84 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 1.29 0.25 1.02 0.00 0.00 32 T 8.19 4.77 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 1.24 0.00 0.00 33 A 8.53 4.03 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 34 A 8.06 4.00 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 35 D 8.29 4.32 0.00 2.95 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.64 1.16 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 0.00 0.00 37 E 8.06 3.97 0.00 2.11 2.14 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 2.31 2.30 0.00 38 R 8.31 4.06 0.00 2.09 2.08 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 A 7.98 3.82 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 *41 L 7.80 4.15 0.00 1.98 1.80 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.99 3.96 0.00 2.02 1.97 0.00 3.36 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 43 V 7.85 3.58 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 1.03 0.00 0.00 1.00 0.00 0.00 44 N 8.06 4.35 0.00 2.92 2.84 0.00 0.00 7.09 7.73 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 45 Q 8.22 4.01 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 46 L 8.05 4.11 0.00 1.65 1.94 0.92 1.03 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 47 C 8.41 4.34 0.00 3.04 3.24 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 48 G 8.51 3.93 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 0.00 0.00 0.00 49 D 9.10 4.58 0.00 2.67 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 50 D 7.60 4.83 0.00 2.70 2.47 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 51 R 7.97 4.68 0.00 1.68 1.74 0.00 3.14 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 52 H 8.31 5.00 0.00 3.08 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.47 0.00 2.08 2.03 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 *55 L 8.40 4.18 0.00 1.81 1.61 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.46 4.68 2.14 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 0.99 0.00 0.00 0.92 0.00 0.00 57 D 9.42 4.67 0.00 2.83 2.54 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 0.00 0.00 0.00 0.00 *59 A 8.23 4.42 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 T 8.00 4.24 4.23 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 1.31 0.00 0.00 61 T 7.30 4.50 4.21 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 0.00 0.00 1.19 0.00 0.00 62 A 8.62 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 63 D 7.85 4.28 0.00 2.70 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 64 V 7.63 3.41 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 0.90 0.00 0.00 0.83 0.00 0.00 65 S 8.11 4.43 0.00 3.87 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 66 R 7.70 4.05 0.00 1.78 1.94 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 67 G 8.03 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 68 A 8.56 4.09 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 69 R 8.16 4.02 0.00 1.85 1.94 0.00 3.27 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 70 A 8.13 4.26 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 71 V 7.87 3.40 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 0.78 0.00 0.00 0.93 0.00 0.00 72 F 7.90 4.73 0.00 3.04 3.27 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 73 G 8.24 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 74 R 6.84 4.04 0.00 1.75 1.91 0.00 3.07 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 75 P 0.00 4.37 0.00 2.16 2.04 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 76 C 8.10 4.44 0.00 2.84 2.76 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 77 Q 8.73 4.35 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 78 A 7.72 4.43 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 79 S 8.68 4.39 0.00 3.97 3.99 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 80 R 7.35 4.86 0.00 1.94 1.84 0.00 2.70 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 81 I 9.24 4.77 2.07 0.00 0.00 1.07 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 0.89 1.05 0.00 0.00 82 A 9.05 5.16 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 83 L 9.28 4.64 0.00 1.74 1.68 1.10 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.66 4.81 0.00 1.55 1.50 0.87 0.97 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 85 G 8.54 4.42 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 0.00 86 S 9.73 4.90 0.00 3.81 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 87 S 7.75 4.69 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 88 P 0.00 4.33 0.00 2.16 2.14 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 89 V 7.69 3.66 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 0.79 0.00 0.00 0.90 0.00 0.00 90 D 8.31 4.55 0.00 3.15 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 91 R 7.52 3.26 0.00 1.23 1.58 0.00 2.83 0.00 0.00 2.86 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.00 92 V 7.70 3.62 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 0.94 0.00 0.00 0.87 0.00 0.00 93 L 7.76 4.09 0.00 2.02 1.77 0.94 0.69 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 94 A 8.05 4.14 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 95 N 8.32 4.38 0.00 2.80 2.91 0.00 0.00 6.72 7.50 0.00 0.00 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 F 8.37 4.16 0.00 3.25 3.32 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 97 F 8.60 4.00 0.00 3.41 3.29 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 98 L 8.64 4.16 0.00 1.77 1.77 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.37 3.49 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 0.00 0.00 0.00 100 I 7.42 3.55 1.41 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.21 0.69 0.00 0.00 101 N 7.56 4.41 0.00 2.39 2.57 0.00 0.00 7.22 7.23 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 0.00 102 A 7.55 3.74 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 0.00 103 V 7.61 3.62 2.14 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 0.91 0.00 0.00 0.95 0.00 0.00 104 P 0.00 4.61 0.00 2.24 2.02 0.00 3.80 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 1.91 1.75 0.00 105 C 7.78 4.64 0.00 3.24 3.04 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 0.00 0.00 0.00 106 P 0.00 4.74 0.00 2.29 2.24 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 107 T 8.59 5.47 4.35 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 1.40 0.00 0.00 108 K 8.65 4.32 0.00 0.79 0.74 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.82 7.81 109 F 8.20 5.15 0.00 2.91 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 0.00 110 F 8.31 4.67 0.00 2.72 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 0.00 111 T 8.39 4.91 4.21 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 0.00 0.00 1.14 0.00 0.00 112 S 7.72 4.62 0.00 3.87 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 0.00 113 E 8.68 3.79 0.00 2.01 1.87 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 2.32 2.33 0.00 114 R 7.83 3.86 0.00 1.95 1.93 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.29 0.00 115 D 8.16 4.31 0.00 2.97 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 0.00 116 A 7.60 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.92 3.91 0.00 1.68 1.69 0.88 0.98 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 0.00 118 T 7.64 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 1.25 0.00 0.00 119 W 8.23 4.31 0.00 3.58 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 0.00 120 L 8.11 3.88 0.00 1.84 1.71 0.96 0.89 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 0.00 121 A 7.58 4.10 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 0.00 122 L 7.23 4.28 0.00 1.55 1.49 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.11 4.09 4.14 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 1.06 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.