NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3422 8.2549 119.7048 56.1783 31.6905 174.4960 10 C 4.6581 8.3038 119.1835 57.7330 32.0137 171.4957 11 Q 5.0514 9.0632 124.3472 54.8489 31.4010 174.1393 12 A 4.7173 8.8275 122.6512 50.8127 23.4772 174.7326 13 Q 5.0321 8.5566 117.7688 54.1287 31.1447 175.5303 14 V 4.5263 8.7794 123.4462 61.1812 34.5162 174.3988 15 S 5.4379 8.7800 122.3744 56.7746 66.6026 173.2543 16 R 4.6983 8.9020 122.4649 54.5568 33.3748 173.7122 17 R 5.2742 8.7311 125.8414 54.6829 32.2854 174.6612 18 I 5.0058 8.8933 118.7075 59.3055 41.7814 173.7776 19 S 5.4314 8.6760 116.0034 56.6778 66.0955 173.0548 20 F 5.2652 8.7512 114.6934 55.6869 41.9013 173.1340 21 S 5.3160 9.2472 116.0129 57.2223 64.8801 173.2516 22 A 5.2632 8.9474 124.7373 50.9286 22.9831 175.0901 23 S 5.2830 8.7518 114.4288 57.3293 66.6419 172.5040 24 H 4.8684 8.6794 115.4151 55.2709 32.2571 172.1895 25 R 4.7987 9.2624 118.8701 54.6270 32.8798 174.1529 26 L 4.2249 8.5788 126.8901 53.8931 42.5410 175.6079 27 Y 4.9731 7.9936 120.7418 55.7101 40.8174 173.8004 28 S 4.6079 9.7975 118.7469 56.7534 64.8343 175.9747 29 K 4.1101 8.6156 128.6771 57.8511 31.5935 176.8412 *30 F 4.2761 7.7527 116.6808 58.6640 38.5552 175.0188 31 L 4.7844 7.2665 120.3040 52.6307 44.4325 176.5836 32 S 4.6593 8.3383 115.8986 57.1797 65.9375 175.1856 33 D 4.4327 8.5714 123.0739 58.2380 40.5173 179.4450 34 E 3.9867 8.1322 118.1098 61.1546 29.7025 180.4549 35 E 4.1224 7.8262 119.7357 59.4910 29.5827 179.1741 36 N 4.3890 8.8413 116.6058 56.5258 38.6505 177.2281 37 L 4.0216 8.2342 121.6400 57.9216 41.9584 178.8944 38 K 3.8927 8.2290 119.1595 59.2952 32.2118 178.3766 39 L 3.8926 7.8834 119.6357 57.8622 42.4004 178.1853 40 F 4.8519 8.3433 115.9093 56.1232 39.7748 177.6089 41 G 3.8931 8.6665 108.4779 46.3417 0.0000 177.5515 42 K 3.9780 8.6633 123.3779 59.0913 32.1825 178.3923 43 C 4.0979 8.0016 115.9330 61.7970 28.0689 174.2612 44 N 4.8492 8.1292 116.7092 52.2782 38.8231 174.1265 45 N 4.1427 8.1132 116.2782 54.2636 39.2672 173.5685 46 P 4.1355 0.0000 0.0000 65.5514 31.5554 176.8083 47 N 4.5320 8.1262 112.5086 52.8259 38.6296 175.3138 48 G 3.9310 9.5614 106.2439 45.3118 0.0000 171.1813 49 H 4.7798 8.4513 112.0408 55.4844 31.8345 172.0792 50 G 4.4659 8.2358 104.2545 46.4435 0.0000 171.8958 51 H 4.8303 8.9874 115.5800 54.2149 33.6307 173.6054 52 N 4.7188 8.5342 119.1303 52.4444 38.2146 174.2733 53 Y 4.2918 8.6370 122.5332 57.5985 39.4300 174.9299 54 K 5.1237 8.9137 122.3752 54.6240 35.3099 175.2932 55 V 5.0490 9.2300 124.3122 61.1156 34.8189 174.1163 56 V 4.8471 9.2869 128.0303 61.2767 33.9365 174.0870 57 V 4.8020 8.8499 128.6786 61.5513 33.7474 174.3018 58 T 5.2582 9.0752 124.7226 61.9764 71.3663 173.8218 59 V 5.0541 8.9422 119.6783 60.0617 35.1790 174.2286 60 H 5.5928 8.5113 116.6975 53.5897 32.0028 173.4809 61 G 3.9489 8.0538 106.2848 47.1253 0.0000 171.4170 62 E 4.8993 7.9082 117.3667 55.5177 31.2511 172.2828 63 I 3.9776 8.6194 125.5976 60.2755 37.5392 175.4581 64 D 4.3386 9.1267 128.9041 54.2111 41.3591 175.8705 65 P 4.2321 0.0000 0.0000 65.0757 31.6921 177.8898 66 A 4.0893 8.3833 121.8581 54.9376 18.3683 178.6039 67 T 4.1801 8.0594 103.4800 61.3531 69.8362 175.9183 68 G 3.9183 8.6044 110.4343 45.8536 0.0000 172.9035 69 M 4.8384 7.6355 118.1880 53.2064 35.3469 176.9025 70 V 3.9136 8.2962 119.6068 64.5665 32.2807 176.1257 71 M 4.6705 7.5689 116.0681 52.4219 35.1445 173.2565 72 N 4.1901 8.9146 122.6516 54.0359 39.6445 175.0816 73 L 3.9261 8.6765 128.6376 58.1414 41.9292 179.1291 74 A 3.8733 8.0839 119.7362 55.6588 18.1335 179.3305 75 D 3.9738 7.7942 116.5544 57.0877 41.0574 178.5915 76 L 4.1387 8.1636 121.3756 57.8125 41.9836 179.0875 77 K 3.9502 8.7790 119.2664 59.4421 32.0337 179.4310 78 K 3.8962 7.6304 118.1330 59.6764 31.8655 179.0952 79 Y 4.3249 7.8174 117.0607 61.5006 37.7752 178.6498 80 M 4.1058 8.1081 119.1797 58.0781 31.9961 178.3956 81 E 4.0071 8.5956 122.3268 59.9819 29.5921 179.4589 82 E 3.9813 8.2189 117.0821 60.7187 29.9746 180.1214 83 A 4.4650 8.1918 120.0407 53.2061 19.2791 177.0114 84 I 4.2498 7.7061 115.7362 63.2770 40.0519 177.8316 85 M 3.9839 8.0000 118.7380 58.7689 32.2800 178.8537 86 Q 4.0086 8.1796 116.5731 58.4949 28.9031 176.6877 87 P 4.4673 0.0000 0.0000 64.3447 31.9016 176.6946 88 L 4.3691 7.5522 117.2582 54.8927 43.3997 176.4212 89 D 4.7053 7.9876 118.4331 55.3159 41.8025 175.4704 90 H 4.1180 9.1954 123.2479 57.2761 27.0491 174.5629 91 K 4.6349 7.7075 115.7488 54.4927 36.1143 175.4120 92 N 5.2552 9.2138 119.7287 51.3937 39.1646 175.8022 93 L 3.9548 9.1045 127.5585 58.1311 41.8116 179.6559 94 D 4.5528 8.1862 116.0124 56.3852 41.1236 176.8911 95 M 4.5310 7.8935 117.1336 55.4964 33.6194 176.3777 96 D 4.6780 8.4626 116.7291 53.8621 42.5977 176.2047 97 V 4.2753 7.3944 119.5376 60.2189 32.2238 173.9596 98 P 4.2489 0.0000 0.0000 65.8393 31.4927 178.0351 99 Y 3.9380 8.2564 118.5504 60.6966 38.4762 177.3329 100 F 4.6258 8.1335 115.1437 57.2554 39.2113 176.3654 101 A 4.2422 8.1567 126.2309 54.9949 18.1162 179.0224 102 D 4.8698 7.7534 112.9053 53.8701 42.2705 175.4084 103 V 4.2498 6.7881 118.2823 60.4439 34.0177 175.3907 104 V 3.5779 8.2972 127.0836 63.0197 31.9365 175.9928 105 S 4.3124 8.2961 123.8254 58.5116 63.4255 174.9917 106 T 4.1584 7.6723 110.8531 63.0191 70.8061 173.9452 107 T 3.9726 8.5078 118.5252 66.7434 68.4522 176.4905 108 E 3.9735 8.3188 120.1334 59.8953 29.5034 179.1895 109 N 4.5265 8.1029 115.5568 55.9906 38.5915 177.8222 110 V 3.9256 8.1450 119.9528 65.9640 31.5621 177.9431 111 A 4.1225 8.3433 120.7456 55.0652 18.1178 179.8730 112 V 3.0582 7.7168 116.7865 66.1025 31.6200 177.3999 113 Y 3.7009 8.3768 119.7249 60.8771 38.5084 178.4542 114 I 3.5420 8.0939 120.4967 63.8736 37.1534 177.9542 115 W 4.1713 8.4451 129.3667 60.9086 30.3298 177.7207 116 D 4.4294 8.2939 117.3549 57.5423 40.0722 178.3373 117 N 4.2385 7.9017 116.9292 56.0415 38.4012 177.5676 118 L 3.8302 7.8235 120.5113 57.7350 41.5103 179.4356 119 Q 3.7829 7.6897 116.7403 58.3053 28.5516 178.7512 120 K 4.0419 7.2942 118.7780 58.7484 32.1383 178.1426 121 V 4.1131 7.2364 109.8632 61.7820 33.4719 176.5171 122 L 3.2573 7.1943 119.1146 53.2214 42.3014 175.2490 123 P 4.2455 0.0000 0.0000 63.1143 31.9441 177.0064 124 V 3.5910 8.0123 118.0492 62.2900 31.9028 177.8910 125 G 4.0875 8.8717 112.5643 44.7081 0.0000 174.5131 126 V 4.0449 7.2022 118.3703 63.2496 32.2322 176.4771 127 L 3.9838 7.6386 122.5179 55.3392 42.2765 174.7701 128 Y 4.7577 8.6069 126.8086 58.8745 40.6636 175.6467 129 K 4.8837 7.8430 118.0654 55.1717 36.1086 174.3882 130 V 4.9576 9.1394 126.1238 61.0049 34.7197 173.9024 131 K 5.0545 9.3310 129.1832 54.5699 35.2030 174.5623 132 V 5.0015 8.9938 127.4664 61.4492 34.5270 173.6765 133 Y 4.9081 9.3461 126.8800 56.6965 38.3963 176.3833 134 E 3.5062 8.9427 127.3696 58.5497 29.8291 176.1525 135 T 4.6515 7.3235 106.5768 59.7782 72.0588 173.6788 136 D 4.4404 8.7961 120.2892 57.0382 40.6744 177.4638 137 N 4.8511 8.3482 113.6228 52.8367 39.9058 174.0005 138 N 5.0203 8.0795 116.3374 51.4549 41.6502 173.5197 139 I 4.9726 8.3340 123.8075 59.2798 41.1704 175.0889 140 V 4.4483 8.8646 125.6524 60.9921 34.5634 174.1976 141 V 4.8976 8.4418 126.6250 61.2283 33.7678 173.7434 142 Y 4.7586 9.1254 128.7671 55.3972 41.8068 175.7214 143 K 3.9988 7.0645 124.0341 55.6667 33.3226 176.6730 144 G 2.7716 4.0000 104.2017 45.0826 0.0000 174.3229 145 E 4.0184 7.0552 124.0088 56.1270 29.6300 176.2006 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 9 R 8.25 4.34 0.00 1.81 1.93 0.00 3.11 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 10 C 8.30 4.66 0.00 2.88 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 11 Q 9.06 5.05 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 12 A 8.83 4.72 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 13 Q 8.56 5.03 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.62 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 14 V 8.78 4.53 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 1.07 0.00 0.00 0.94 0.00 0.00 15 S 8.78 5.44 0.00 3.80 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 16 R 8.90 4.70 0.00 1.89 1.75 0.00 3.07 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 1.55 1.57 0.00 17 R 8.73 5.27 0.00 1.88 1.80 0.00 3.11 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 18 I 8.89 5.01 1.96 0.00 0.00 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 1.39 1.02 0.97 0.00 0.00 19 S 8.68 5.43 0.00 3.85 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 20 F 8.75 5.27 0.00 3.19 3.15 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 21 S 9.25 5.32 0.00 3.58 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 22 A 8.95 5.26 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 5.28 0.00 3.96 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 24 H 8.68 4.87 0.00 3.26 3.33 0.00 5.23 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.26 4.80 0.00 1.70 1.79 0.00 3.33 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 26 L 8.58 4.22 0.00 1.11 0.13 0.87 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.99 4.97 0.00 3.10 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 28 S 9.80 4.61 0.00 3.95 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 29 K 8.62 4.11 0.00 1.82 1.71 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 *30 F 7.75 4.28 0.00 2.49 2.38 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 31 L 7.27 4.78 0.00 1.64 1.57 0.93 0.81 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 32 S 8.34 4.66 0.00 4.10 4.03 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 0.00 0.00 0.00 33 D 8.57 4.43 0.00 2.76 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 34 E 8.13 3.99 0.00 1.97 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 1.97 0.00 35 E 7.83 4.12 0.00 2.14 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 2.32 2.36 0.00 36 N 8.84 4.39 0.00 3.04 3.10 0.00 0.00 6.74 7.40 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 37 L 8.23 4.02 0.00 1.88 1.85 0.95 0.30 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 38 K 8.23 3.89 0.00 1.84 1.90 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 39 L 7.88 3.89 0.00 1.36 1.21 0.68 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.34 4.85 0.00 3.30 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 41 G 8.67 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 42 K 8.66 3.98 0.00 1.81 1.84 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 43 C 8.00 4.10 0.00 3.23 2.96 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 44 N 8.13 4.85 0.00 2.86 3.06 0.00 0.00 7.05 8.62 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 45 N 8.11 4.14 0.00 2.96 2.73 0.00 0.00 7.17 6.99 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 46 P 0.00 4.14 0.00 2.04 2.05 0.00 3.70 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 2.01 2.09 0.00 47 N 8.13 4.53 0.00 2.69 2.82 0.00 0.00 7.09 7.65 0.00 0.00 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 9.56 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 H 8.45 4.78 0.00 3.14 3.37 0.00 5.29 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 50 G 8.24 4.47 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 0.00 51 H 8.99 4.83 0.00 1.94 2.62 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.53 4.72 0.00 2.51 2.72 0.00 0.00 7.00 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 53 Y 8.64 4.29 0.00 1.43 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 0.00 0.00 0.00 0.00 54 K 8.91 5.12 0.00 1.58 1.60 0.00 1.21 0.00 0.00 1.39 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.23 7.81 55 V 9.23 5.05 2.27 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 1.18 0.00 0.00 1.29 0.00 0.00 56 V 9.29 4.85 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 1.08 0.00 0.00 1.14 0.00 0.00 57 V 8.85 4.80 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 1.00 0.00 0.00 58 T 9.08 5.26 4.46 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 0.00 0.00 0.00 1.44 0.00 0.00 59 V 8.94 5.05 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 0.71 0.00 0.00 1.02 0.00 0.00 60 H 8.51 5.59 0.00 3.02 3.00 0.00 5.73 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 61 G 8.05 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 62 E 7.91 4.90 0.00 1.68 1.83 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 2.31 1.75 0.00 63 I 8.62 3.98 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.05 0.91 0.00 0.00 64 D 9.13 4.34 0.00 2.71 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 65 P 0.00 4.23 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 66 A 8.38 4.09 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 67 T 8.06 4.18 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 68 G 8.60 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 69 M 7.64 4.84 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.43 0.00 70 V 8.30 3.91 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 0.91 0.00 0.00 0.98 0.00 0.00 71 M 7.57 4.67 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 72 N 8.91 4.19 0.00 2.79 2.72 0.00 0.00 7.08 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 73 L 8.68 3.93 0.00 1.72 1.73 0.93 0.87 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 74 A 8.08 3.87 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 75 D 7.79 3.97 0.00 2.86 2.32 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 76 L 8.16 4.14 0.00 1.80 1.83 1.02 0.52 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 77 K 8.78 3.95 0.00 2.04 1.81 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.36 7.81 78 K 7.63 3.90 0.00 1.69 1.68 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 79 Y 7.82 4.32 0.00 2.96 2.82 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 80 M 8.11 4.11 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 81 E 8.60 4.01 0.00 2.16 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 2.30 2.37 0.00 82 E 8.22 3.98 0.00 2.12 1.85 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 2.26 2.19 0.00 83 A 8.19 4.46 1.23 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 0.00 0.00 84 I 7.71 4.25 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.82 0.00 0.00 85 M 8.00 3.98 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.54 0.00 86 Q 8.18 4.01 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 87 P 0.00 4.47 0.00 2.30 2.24 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 88 L 7.55 4.37 0.00 0.87 0.91 0.60 0.72 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 89 D 7.99 4.71 0.00 2.70 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 90 H 9.20 4.12 0.00 3.29 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.71 4.63 0.00 1.87 1.66 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.54 7.81 92 N 9.21 5.26 0.00 2.69 2.86 0.00 0.00 7.11 6.45 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 93 L 9.10 3.95 0.00 1.52 1.23 0.55 0.80 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 94 D 8.19 4.55 0.00 2.75 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 95 M 7.89 4.53 0.00 1.98 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 2.74 2.50 0.00 96 D 8.46 4.68 0.00 2.77 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 97 V 7.39 4.28 2.43 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 0.96 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.25 0.00 2.27 2.13 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 99 Y 8.26 3.94 0.00 2.84 2.48 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 0.00 100 F 8.13 4.63 0.00 3.25 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 0.00 101 A 8.16 4.24 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 0.00 102 D 7.75 4.87 0.00 2.49 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 0.00 103 V 6.79 4.25 1.71 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 0.74 0.00 0.00 0.45 0.00 0.00 104 V 8.30 3.58 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 0.72 0.00 0.00 0.87 0.00 0.00 105 S 8.30 4.31 0.00 3.57 3.45 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 0.00 0.00 0.00 0.00 106 T 7.67 4.16 4.47 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 1.29 0.00 0.00 107 T 8.51 3.97 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 1.33 0.00 0.00 108 E 8.32 3.97 0.00 2.08 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 2.42 2.50 0.00 109 N 8.10 4.53 0.00 3.19 3.20 0.00 0.00 6.73 7.13 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 0.00 110 V 8.15 3.93 2.27 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 1.03 0.00 0.00 0.76 0.00 0.00 111 A 8.34 4.12 1.48 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 0.00 112 V 7.72 3.06 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 0.89 0.00 0.00 0.12 0.00 0.00 113 Y 8.38 3.70 0.00 2.72 3.22 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 0.00 114 I 8.09 3.54 2.12 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.96 0.00 0.00 115 W 8.45 4.17 0.00 3.79 3.39 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 0.00 116 D 8.29 4.43 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 0.00 117 N 7.90 4.24 0.00 2.63 2.60 0.00 0.00 7.04 6.22 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 0.00 118 L 7.82 3.83 0.00 1.63 1.41 0.85 0.76 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 0.00 119 Q 7.69 3.78 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 1.82 2.43 0.00 120 K 7.29 4.04 0.00 1.72 1.79 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.63 7.81 121 V 7.24 4.11 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 0.72 0.00 0.00 0.77 0.00 0.00 122 L 7.19 3.26 0.00 1.36 1.29 0.66 0.36 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 0.00 123 P 0.00 4.25 0.00 2.12 1.96 0.00 3.37 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 2.12 2.12 0.00 124 V 8.01 3.59 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 0.93 0.00 0.00 125 G 8.87 4.09 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 0.00 0.00 0.00 126 V 7.20 4.04 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 0.56 0.00 0.00 1.02 0.00 0.00 127 L 7.64 3.98 0.00 1.18 0.98 0.72 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.61 4.76 0.00 2.64 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 0.00 129 K 7.84 4.88 0.00 1.47 1.65 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.43 1.29 7.81 130 V 9.14 4.96 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 1.16 0.00 0.00 1.19 0.00 0.00 131 K 9.33 5.05 0.00 1.87 1.82 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.58 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.21 7.81 132 V 8.99 5.00 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 1.23 0.00 0.00 1.09 0.00 0.00 133 Y 9.35 4.91 0.00 2.88 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 0.00 134 E 8.94 3.51 0.00 1.89 1.85 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 1.64 1.60 0.00 135 T 7.32 4.65 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 1.14 0.00 0.00 136 D 8.80 4.44 0.00 2.70 2.82 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 0.00 137 N 8.35 4.85 0.00 2.69 2.84 0.00 0.00 6.79 8.85 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 0.00 138 N 8.08 5.02 0.00 2.57 2.68 0.00 0.00 6.66 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 0.00 139 I 8.33 4.97 1.68 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.47 0.48 0.00 0.00 140 V 8.86 4.45 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 1.02 0.00 0.00 0.95 0.00 0.00 141 V 8.44 4.90 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 0.79 0.00 0.00 0.89 0.00 0.00 142 Y 9.13 4.76 0.00 2.95 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 0.00 143 K 7.06 4.00 0.00 1.46 1.30 0.00 1.71 0.00 0.00 1.48 0.00 0.00 2.23 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.02 1.09 7.81 144 G 4.00 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 0.00 0.00 0.00 145 E 7.06 4.02 0.00 1.76 1.74 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 2.13 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.