NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6883 8.2227 119.5723 53.3679 42.6459 177.2973 6 V 3.4066 7.8941 119.1576 65.6297 31.4939 177.2470 7 F 4.1121 8.5350 117.2452 60.4892 39.2200 176.4741 8 H 4.0458 8.4391 117.6566 59.6075 29.6999 177.2195 9 Q 4.0272 8.1786 119.7222 58.6064 28.4165 178.6388 10 V 3.5135 7.9610 119.7085 66.0672 31.4946 178.3365 11 V 3.1571 7.6214 117.8191 65.5792 31.2304 177.9161 12 K 3.8271 7.7695 118.2331 59.6942 31.8690 179.2619 13 I 3.8306 7.7412 119.5227 64.3058 36.6770 178.2925 14 A 4.1161 8.2073 121.8508 55.2108 18.2254 179.6150 15 L 4.0815 8.1975 117.7732 58.1485 41.6814 179.6656 16 E 4.3744 8.5684 120.1722 58.9566 29.1763 179.6061 17 K 4.0628 8.3370 117.8439 59.0033 32.1008 178.0333 18 D 4.9242 7.6617 115.7789 53.7953 40.9447 177.0327 19 G 3.8421 8.0955 107.3489 45.5573 0.0000 173.8816 20 W 4.4890 8.2436 119.6937 56.0545 30.7216 175.1049 21 Q 4.5618 9.1909 125.7802 54.9060 30.1653 174.4464 22 I 4.5971 8.5242 128.1857 61.4046 37.2726 175.6143 23 T 4.5541 9.0480 117.7188 62.2971 70.9654 174.7673 24 N 4.9697 7.8802 118.9317 51.9658 43.3455 173.5666 25 D 4.7698 8.5386 123.0893 53.1170 42.5491 172.6592 26 P 4.8019 0.0000 0.0000 61.8427 33.0373 175.5742 27 L 4.3030 8.7859 124.9035 55.1072 42.3800 176.0016 28 T 4.6156 8.3851 116.8689 60.3352 70.9600 174.0624 29 I 4.5599 7.9679 123.4800 60.0455 41.8326 173.4228 30 S 5.1360 8.7135 124.7899 56.6942 66.0878 173.3800 31 V 4.4998 8.7799 123.0876 61.2059 34.1819 173.9820 32 G 4.0402 9.8310 107.6084 46.6972 0.0000 174.3572 33 G 3.9390 8.6724 105.4478 44.7488 0.0000 174.0027 34 V 4.2975 7.9519 119.6130 60.6780 34.0419 173.7860 35 N 5.0832 8.6040 124.7565 51.6231 39.7397 174.0238 36 L 4.5379 8.3228 132.0173 54.2347 42.5983 176.9757 *44 K 4.2575 8.4835 120.7222 56.8590 34.1527 176.8987 45 L 4.2640 7.5777 119.0227 55.3544 42.8631 175.8614 46 I 4.7214 8.7101 124.1948 59.9403 39.1957 174.4050 47 A 5.1793 9.0517 129.2260 50.5314 20.9994 175.7336 48 A 5.3974 8.9559 123.0386 50.7451 23.5746 174.4883 49 E 5.4905 9.5439 116.1356 55.7512 34.0056 174.6716 50 R 4.2590 9.2144 120.9332 55.5718 33.2362 175.0060 51 E 3.8699 9.5886 128.9431 57.4261 27.0069 176.2530 52 G 3.9193 8.0052 104.8921 45.5207 0.0000 172.9008 53 E 4.1944 8.0463 122.1297 55.6544 30.3134 174.9924 54 K 5.3151 8.6780 125.6267 54.7988 35.0518 175.2605 55 I 5.4001 9.1563 116.8085 59.2922 41.8303 173.6949 56 A 5.3022 9.1899 123.8164 50.1601 22.6346 175.2924 57 V 4.7776 8.9030 120.9129 61.1074 34.4251 174.1226 58 E 4.6480 9.5252 130.6217 55.2751 30.4407 174.8787 59 V 4.4847 8.3862 127.8891 61.9218 32.5654 175.1911 60 K 4.9996 9.0044 127.1374 54.8766 34.7736 176.4514 61 S 4.1485 9.6507 117.9227 57.6250 63.8896 174.4405 62 F 3.4356 8.0285 118.2166 58.6885 36.5233 175.4902 63 L 4.6854 7.4508 117.0647 54.4487 42.5549 177.7834 64 E 3.9963 8.0059 119.6412 58.4371 29.5568 176.3156 65 R 4.7108 6.7386 115.2266 54.5463 34.3993 175.0272 66 S 4.3260 7.4758 106.7978 55.2140 66.0911 173.9497 67 S 4.3141 8.6006 113.7338 57.8105 64.8040 174.8589 68 A 3.8675 8.3503 124.0302 55.4250 17.9275 179.8478 69 I 3.8024 7.5287 116.4539 64.2691 37.6289 177.8651 70 S 4.1306 7.9891 113.9081 61.3949 62.2373 175.7836 71 E 3.8233 8.0608 121.9602 59.0725 29.1994 178.4715 72 F 4.7159 8.5979 121.2333 61.6750 39.4672 176.6706 73 H 4.0952 8.3204 115.8087 59.4022 28.4954 177.9353 74 T 3.8454 7.6265 116.0224 66.4637 68.2336 176.7128 75 A 4.2228 8.4113 124.4800 54.4838 18.3594 179.5255 76 L 3.9446 8.1772 119.3204 58.1293 42.0846 179.3729 77 G 3.5357 8.0462 105.6568 47.9193 0.0000 175.4925 78 Q 3.4206 8.1340 121.0781 58.3586 28.6049 178.8243 79 F 4.3459 8.1263 122.8028 60.8409 39.4101 177.2448 80 I 3.7243 8.0283 119.3572 64.5116 36.8501 178.3071 81 N 4.2827 8.1877 117.4126 56.5076 38.2883 177.1889 82 Y 4.3313 8.1158 118.5079 61.0021 37.8948 178.6115 83 R 3.7731 8.1474 120.1366 59.2346 29.9277 178.7892 84 G 3.5678 7.9544 104.1229 47.7327 0.0000 175.1248 85 A 4.1703 8.2102 123.5791 54.9957 18.4043 179.8160 86 L 3.9844 8.2644 117.7163 57.7773 41.3812 179.7548 87 R 3.9386 7.7660 117.5322 59.2669 30.1610 178.4726 88 R 4.3070 7.6618 114.0196 56.7945 30.4162 176.9678 89 R 4.4987 7.6366 115.6144 57.4224 32.9485 176.2744 90 Q 4.5501 8.3603 116.8999 53.2612 29.4071 173.8368 91 P 4.2655 0.0000 0.0000 64.7691 31.8889 177.9330 92 E 4.3616 8.0521 116.8317 56.0682 29.7807 175.1397 93 R 4.5928 7.9942 121.2639 55.1520 30.8229 175.8018 94 V 4.0172 8.5179 127.8018 62.0064 33.0031 174.4447 95 L 4.9817 8.2869 129.9771 54.5025 43.1703 175.0943 96 Y 5.1412 9.2096 123.2451 56.1477 42.0443 174.3160 97 L 5.0645 9.1820 125.9681 54.2390 43.1358 175.6124 98 A 4.9446 9.4240 129.6882 51.2285 20.4233 176.3419 99 V 5.1565 8.8169 115.2838 58.7631 36.4832 173.9588 100 P 3.8357 0.0000 0.0000 61.9314 32.1391 177.2773 101 L 3.8850 8.4939 123.7832 58.6239 41.4891 179.7098 102 T 3.8093 7.7832 109.0484 65.3546 68.5814 176.3821 103 T 3.9266 7.7821 118.1627 66.1927 68.3172 175.9668 104 Y 4.3198 8.0376 120.7990 60.7707 38.9742 177.9897 105 K 4.0435 8.2646 117.4501 58.3052 32.5892 176.5999 106 T 4.2333 7.5311 106.7202 61.9904 71.6586 176.0382 107 F 3.8942 8.3368 122.1464 60.6019 39.8983 177.2134 108 F 3.8700 7.5851 115.4003 58.4891 38.7013 176.0365 109 Q 4.1513 7.4069 119.1353 56.1424 29.4845 176.8128 110 L 4.0675 7.1753 119.4468 54.2714 43.5028 177.6026 111 D 4.2973 8.4891 122.1632 57.4085 40.6299 179.0023 112 F 4.0515 7.9203 119.4891 60.9460 39.6762 174.9407 113 P 3.8180 0.0000 0.0000 65.0208 31.2385 178.0724 114 K 4.0280 7.5527 118.0251 59.4068 31.9893 178.9542 115 E 3.7512 7.9030 115.8418 57.0409 29.2127 178.2092 *117 I 4.0782 7.7181 119.3810 60.9625 39.5254 177.9077 118 A 3.9942 8.0354 122.8899 55.2809 18.3744 179.5523 119 E 3.9879 8.5141 114.7103 59.1329 29.5500 177.8396 120 N 4.7902 8.1301 112.9027 52.1470 38.9945 174.4786 121 Q 3.3879 7.5836 115.5321 56.7366 26.9523 174.3998 122 V 3.3065 7.6228 116.8974 62.3931 32.1988 175.7003 123 K 4.8034 8.1350 126.3977 54.5003 34.9380 175.1660 *125 L 3.8343 8.1752 121.4938 55.1583 43.3172 175.2632 126 I 4.7323 8.2779 129.0350 60.1544 38.6307 174.6470 127 Y 5.2136 8.3880 125.3933 55.0929 41.4657 174.0898 128 D 4.7626 9.1191 122.4133 53.2384 42.1378 177.2884 129 V 3.6928 8.6323 126.3734 66.1420 32.0578 176.5127 130 E 4.0574 8.4186 118.7793 59.0920 29.3794 177.3648 131 Q 4.2732 8.4709 114.4252 55.0776 30.0930 175.0261 132 E 3.9073 7.9381 116.7661 57.3216 27.1549 173.9800 133 V 4.6581 6.9438 111.2181 59.5162 37.2718 176.3989 134 I 4.1017 8.3586 123.9497 61.4533 37.0098 175.5097 135 F 4.6493 9.1076 130.2465 60.1595 40.5281 175.7509 136 Q 4.3420 7.4036 116.6683 54.6833 32.2540 172.7440 137 W 5.0486 8.7436 125.2441 55.1826 31.0984 175.4069 138 I 4.4758 8.3568 124.4779 60.4267 39.8865 175.6078 139 N 4.6841 8.9931 122.9524 53.8269 38.1269 174.1114 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 D 8.22 4.69 0.00 2.62 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 6 V 7.89 3.41 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 0.79 0.00 0.00 0.91 0.00 0.00 7 F 8.54 4.11 0.00 3.26 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 8 H 8.44 4.05 0.00 3.31 3.55 0.00 5.86 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 9 Q 8.18 4.03 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 10 V 7.96 3.51 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 1.16 0.00 0.00 0.88 0.00 0.00 11 V 7.62 3.16 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 0.74 0.00 0.00 -0.05 0.00 0.00 12 K 7.77 3.83 0.00 1.97 1.84 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.54 7.81 13 I 7.74 3.83 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 1.45 0.79 0.91 0.00 0.00 14 A 8.21 4.12 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 15 L 8.20 4.08 0.00 1.92 1.82 0.78 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.57 4.37 0.00 2.14 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 2.39 2.39 0.00 17 K 8.34 4.06 0.00 1.93 1.93 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.69 7.81 18 D 7.66 4.92 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 19 G 8.10 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 20 W 8.24 4.49 0.00 3.42 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 21 Q 9.19 4.56 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 I 8.52 4.60 1.90 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 1.45 0.95 0.97 0.00 0.00 23 T 9.05 4.55 4.27 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 1.29 0.00 0.00 24 N 7.88 4.97 0.00 2.69 2.82 0.00 0.00 6.59 8.08 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 25 D 8.54 4.77 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.80 0.00 2.08 2.05 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 27 L 8.79 4.30 0.00 1.58 1.54 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.39 4.62 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 1.19 0.00 0.00 29 I 7.97 4.56 1.82 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 1.35 1.48 0.86 0.00 0.00 30 S 8.71 5.14 0.00 3.87 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 31 V 8.78 4.50 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 0.65 0.00 0.00 0.93 0.00 0.00 32 G 9.83 4.04 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 0.00 0.00 0.00 33 G 8.67 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 0.00 0.00 0.00 34 V 7.95 4.30 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 0.98 0.00 0.00 0.94 0.00 0.00 35 N 8.60 5.08 0.00 2.72 2.73 0.00 0.00 7.33 7.78 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 36 L 8.32 4.54 0.00 1.90 1.76 1.03 1.34 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 *44 K 8.48 4.26 0.00 1.76 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.51 7.81 45 L 7.58 4.26 0.00 1.47 1.45 0.40 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.71 4.72 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.62 0.88 0.00 0.00 47 A 9.05 5.18 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 48 A 8.96 5.40 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 49 E 9.54 5.49 0.00 2.17 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 2.27 2.30 0.00 50 R 9.21 4.26 0.00 0.67 0.66 0.00 2.67 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.24 0.00 51 E 9.59 3.87 0.00 1.89 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 2.14 2.23 0.00 52 G 8.01 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 53 E 8.05 4.19 0.00 2.00 1.92 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 2.53 2.36 0.00 54 K 8.68 5.32 0.00 1.79 1.74 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.46 7.81 55 I 9.16 5.40 2.09 0.00 0.00 -0.11 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 0.84 0.88 0.00 0.00 56 A 9.19 5.30 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 57 V 8.90 4.78 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 1.00 0.00 0.00 0.90 0.00 0.00 58 E 9.53 4.65 0.00 2.31 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 2.47 2.50 0.00 59 V 8.39 4.48 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 0.89 0.00 0.00 0.84 0.00 0.00 60 K 9.00 5.00 0.00 1.98 1.55 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.60 7.81 61 S 9.65 4.15 0.00 2.72 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 62 F 8.03 3.44 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.45 4.69 0.00 1.74 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.01 4.00 0.00 1.88 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 0.00 2.22 2.30 0.00 65 R 6.74 4.71 0.00 1.67 1.79 0.00 3.23 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 66 S 7.48 4.33 0.00 3.84 3.61 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 0.00 0.00 0.00 0.00 67 S 8.60 4.31 0.00 4.05 3.97 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 68 A 8.35 3.87 0.52 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 69 I 7.53 3.80 2.04 0.00 0.00 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 1.61 1.20 0.94 0.00 0.00 70 S 7.99 4.13 0.00 3.97 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 71 E 8.06 3.82 0.00 1.86 1.61 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 0.00 1.59 1.47 0.00 72 F 8.60 4.72 0.00 3.45 3.44 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 0.00 73 H 8.32 4.10 0.00 3.37 3.28 0.00 5.67 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 74 T 7.63 3.85 4.31 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 1.17 0.00 0.00 75 A 8.41 4.22 1.49 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 76 L 8.18 3.94 0.00 1.03 1.51 0.87 0.72 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 77 G 8.05 3.54 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 0.00 0.00 0.00 78 Q 8.13 3.42 0.00 2.35 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 79 F 8.13 4.35 0.00 3.43 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 80 I 8.03 3.72 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.69 0.91 0.00 0.00 81 N 8.19 4.28 0.00 2.53 2.74 0.00 0.00 7.08 7.63 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 82 Y 8.12 4.33 0.00 2.82 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 83 R 8.15 3.77 0.00 1.27 1.85 0.00 3.08 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 1.52 1.46 0.00 84 G 7.95 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.21 4.17 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 86 L 8.26 3.98 0.00 1.70 1.70 0.89 1.08 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 87 R 7.77 3.94 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 88 R 7.66 4.31 0.00 1.92 1.97 0.00 3.26 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 89 R 7.64 4.50 0.00 1.74 1.91 0.00 3.31 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 1.51 1.54 0.00 90 Q 8.36 4.55 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 91 P 0.00 4.27 0.00 2.17 2.39 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 92 E 8.05 4.36 0.00 1.98 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 2.24 2.28 0.00 93 R 7.99 4.59 0.00 1.83 1.96 0.00 3.25 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 94 V 8.52 4.02 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 0.62 0.00 0.00 0.95 0.00 0.00 95 L 8.29 4.98 0.00 1.53 1.25 0.98 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 9.21 5.14 0.00 3.14 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 97 L 9.18 5.06 0.00 1.68 1.68 1.25 1.06 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 98 A 9.42 4.94 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 99 V 8.82 5.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.80 0.00 0.00 100 P 0.00 3.84 0.00 2.05 1.76 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 101 L 8.49 3.88 0.00 1.54 1.51 0.39 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.78 3.81 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 1.18 0.00 0.00 103 T 7.78 3.93 4.33 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 0.80 0.00 0.00 104 Y 8.04 4.32 0.00 2.86 3.19 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 0.00 0.00 0.00 0.00 105 K 8.26 4.04 0.00 1.72 1.79 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.63 7.81 106 T 7.53 4.23 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 1.17 0.00 0.00 107 F 8.34 3.89 0.00 2.75 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 0.00 108 F 7.59 3.87 0.00 3.11 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 0.00 109 Q 7.41 4.15 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 110 L 7.18 4.07 0.00 1.40 1.40 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.49 4.30 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 0.00 112 F 7.92 4.05 0.00 2.95 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 0.00 113 P 0.00 3.82 0.00 1.08 0.54 0.00 3.44 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.53 0.00 114 K 7.55 4.03 0.00 1.93 1.92 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.41 7.81 115 E 7.90 3.75 0.00 2.11 1.86 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 2.27 2.37 0.00 *117 I 7.72 4.08 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.87 0.90 0.00 0.00 118 A 8.04 3.99 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 0.00 119 E 8.51 3.99 0.00 1.92 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 2.33 2.54 0.00 120 N 8.13 4.79 0.00 2.72 2.88 0.00 0.00 7.02 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 0.00 121 Q 7.58 3.39 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 122 V 7.62 3.31 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 -0.13 0.00 0.00 0.75 0.00 0.00 123 K 8.14 4.80 0.00 1.72 1.59 0.00 1.74 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.27 7.81 *125 L 8.18 3.83 0.00 1.42 1.45 -1.35 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.28 4.73 1.73 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.28 0.81 0.00 0.00 127 Y 8.39 5.21 0.00 3.02 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 0.00 128 D 9.12 4.76 0.00 2.68 2.61 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 0.00 0.00 0.00 0.00 129 V 8.63 3.69 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 0.77 0.00 0.00 1.16 0.00 0.00 130 E 8.42 4.06 0.00 1.96 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 2.29 2.34 0.00 131 Q 8.47 4.27 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.48 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 132 E 7.94 3.91 0.00 2.15 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 2.24 2.45 0.00 133 V 6.94 4.66 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 0.80 0.00 0.00 0.99 0.00 0.00 134 I 8.36 4.10 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.39 0.34 0.00 0.00 135 F 9.11 4.65 0.00 2.88 3.14 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 0.00 136 Q 7.40 4.34 0.00 1.29 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 137 W 8.74 5.05 0.00 3.13 3.03 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 0.00 138 I 8.36 4.48 1.89 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.96 0.00 0.00 139 N 8.99 4.68 0.00 2.94 2.90 0.00 0.00 6.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.