NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.9433 8.4898 122.2911 52.1123 20.0142 175.7038 2 W 4.7245 8.0799 115.9749 54.8738 31.2312 167.5259 3 V 4.4165 8.7739 121.0689 61.2666 33.6090 175.4660 4 D 4.9468 8.2901 127.7687 53.0437 42.6740 174.5363 5 Q 5.1472 8.7070 127.2519 54.6416 32.1438 173.9464 6 T 5.0013 9.0143 120.2711 60.0358 71.1867 171.3733 7 P 4.9630 0.0000 0.0000 61.7678 33.1072 176.0626 8 R 4.4715 8.8553 118.7649 58.5886 30.9459 177.1205 9 S 5.3212 7.8636 110.7183 57.0533 66.2189 174.0572 10 V 4.6785 8.7353 120.6138 60.7094 34.8066 173.2935 11 T 5.1438 8.4855 113.0104 60.3693 71.1875 173.5215 12 K 4.7254 9.1423 121.7881 55.2685 37.3382 175.1154 13 E 4.9547 9.3711 121.8632 54.8893 32.2739 176.1676 14 T 4.1356 8.0454 118.8353 65.3224 68.9844 174.6751 15 G 4.0890 8.5254 114.5861 45.7501 0.0000 173.9052 16 E 4.3862 8.2615 118.9659 55.8804 31.2952 176.0627 17 S 5.1497 8.3644 116.4272 57.3176 65.1356 173.6109 18 L 4.6645 8.3804 124.0294 53.5981 44.6044 175.0352 19 T 4.8878 8.4677 122.4970 61.9835 70.4614 173.6801 20 I 4.5635 8.7316 127.7847 59.7106 39.5967 174.3676 21 N 5.2069 8.9474 124.6687 51.9863 40.8632 173.5104 22 C 5.4117 8.8606 119.2828 54.9370 45.7890 172.8819 23 A 5.0842 8.3159 123.6691 49.6516 21.6157 175.1197 24 L 4.1069 8.5753 125.6243 55.1575 42.8186 176.2087 25 K 4.2728 8.3369 127.5166 54.8019 35.6642 175.2964 26 N 4.2888 8.7929 119.1216 54.1722 35.9774 173.9357 27 A 4.3329 7.7064 119.8220 50.1767 20.9097 177.1056 28 A 4.1253 8.4702 125.7413 53.8978 19.0491 177.2527 29 D 4.7106 7.4462 115.1546 53.4431 42.2258 175.7175 30 D 4.5616 8.4084 121.4340 53.9004 42.2937 175.4237 31 L 4.0684 8.5949 125.2720 55.8999 41.8964 175.8259 32 E 4.5836 9.1534 127.3073 58.0820 31.0675 176.7996 33 R 4.8157 7.6463 113.5430 55.1600 32.9358 174.1592 34 T 5.0068 8.3261 109.4160 60.1785 71.7852 172.6171 35 D 5.0639 8.9674 122.4088 52.5206 45.7832 174.5227 36 W 5.4845 8.1549 118.6264 55.4580 33.6998 173.9019 37 Y 5.4588 8.9219 120.1740 56.5687 42.2999 174.3531 38 R 4.7897 9.2116 118.5226 54.8566 33.1788 174.1918 39 T 4.8110 8.6356 117.9969 62.1829 71.4828 172.9707 40 T 4.7854 8.2031 115.4536 59.5364 72.0103 174.1404 41 L 4.1483 8.5769 120.8216 57.4132 41.8545 179.5003 42 G 3.7348 7.9616 107.9155 47.5195 0.0000 173.7601 43 S 4.8633 7.5755 112.2257 55.8070 66.0080 174.2458 44 T 3.8914 8.6060 111.2485 64.6036 68.5766 174.4053 45 N 4.8330 7.5953 117.7551 50.0211 41.0161 173.8974 46 E 4.4460 8.7930 120.3659 56.2843 30.1503 175.9180 47 Q 4.8143 9.1366 124.2050 54.0863 32.4394 174.2000 48 K 4.3008 8.7258 122.7843 55.8204 32.9398 176.3975 49 I 3.5882 8.2665 129.8042 61.3182 37.6552 176.1022 50 S 4.3675 8.3833 122.3440 56.4308 61.6592 173.4020 51 I 3.6737 8.2780 128.5746 61.1230 37.4530 175.7894 52 G 4.4710 9.8527 111.8202 43.7719 0.0000 177.4723 53 G 3.8802 8.1258 111.4000 46.0200 0.0000 176.2593 54 R 3.8073 8.7129 125.6647 58.3913 31.0431 174.1661 55 Y 5.1578 8.6748 117.9766 55.9395 40.4260 175.2923 56 V 4.6416 8.5738 124.2204 59.7349 34.2143 174.0458 57 E 4.9816 8.8509 125.7608 54.6936 31.6654 174.7173 58 T 4.6657 8.6636 123.3037 61.8149 71.1695 173.1473 59 V 4.7251 8.5895 126.2769 61.1880 33.9115 174.9484 60 N 4.8920 8.9791 126.9020 51.1601 38.5309 174.6210 61 K 3.9243 8.7568 123.9045 58.8819 32.8431 179.1261 62 G 3.6634 8.3731 107.1915 48.5711 0.0000 174.5199 63 S 4.4452 8.2730 113.4705 56.9104 63.5304 174.6306 64 K 3.8279 7.6800 118.7679 57.5621 30.3263 174.9307 65 S 5.4385 7.3034 113.1201 57.4821 65.7612 172.7889 66 F 5.4513 8.5926 112.0526 56.3095 41.1554 173.1594 67 S 5.3748 9.3720 116.4422 56.4903 67.0772 172.2796 68 L 4.7459 8.4916 121.9560 52.9662 45.1492 174.8832 69 R 4.9565 8.8346 126.1980 54.5278 33.1188 173.9282 70 I 4.7803 8.9568 127.5463 59.6708 39.4021 175.2770 71 R 4.4495 8.5559 126.8523 55.2236 31.6459 175.4740 72 D 4.4135 8.3995 117.3196 54.8835 39.2467 174.2095 73 L 4.3127 7.6518 118.4194 55.3512 42.7283 177.2032 74 R 5.0121 8.3141 119.0647 54.0907 34.3948 176.9582 75 V 3.6472 8.4571 112.3614 64.8125 31.6276 178.7257 76 E 4.0108 8.2811 117.7584 59.3606 29.3158 177.6793 77 D 4.7250 8.0802 116.7050 55.2508 41.6710 177.0439 78 S 4.4820 8.3857 117.2827 57.7578 63.6785 175.0300 79 G 4.2004 7.9235 110.8317 45.9739 0.0000 170.1269 80 T 5.0528 7.7497 116.7901 62.4943 70.3699 173.7731 81 Y 5.2823 9.2858 124.6041 56.1409 40.8363 174.8476 82 K 5.0923 9.2802 123.8138 54.6094 35.6687 172.9431 83 C 4.1549 8.7244 119.5754 54.2596 45.0757 172.4531 84 G 4.5075 8.6430 108.9254 44.3693 0.0000 171.6305 85 A 5.0294 8.8565 127.1519 50.2016 22.0339 174.8488 86 Y 4.8053 8.5891 118.5133 55.9978 41.5204 174.8267 87 F 5.5163 7.9256 117.7482 55.2695 41.6988 174.8355 88 S 4.4666 8.7476 114.4037 56.3042 64.7084 171.3394 *99 P 4.1087 0.0000 0.0000 62.8662 32.4384 175.3582 100 G 3.8519 7.6911 103.9235 45.5793 0.0000 172.4474 101 E 4.7527 9.0616 121.4109 54.5235 33.2766 174.1250 102 K 4.9466 8.6761 125.8108 54.7265 34.4315 176.4147 103 G 3.9535 8.9084 110.8464 45.4878 0.0000 173.9492 104 A 4.1508 8.6859 123.4102 54.7010 18.5608 177.5792 105 G 4.5186 7.8531 100.8129 43.8946 0.0000 172.3778 106 T 4.9196 8.9870 116.3144 61.5546 71.9361 173.5467 107 V 4.5604 9.4102 128.0538 61.7106 32.9653 174.1347 108 L 5.1013 9.3409 131.7717 53.7594 43.9918 174.7458 109 T 4.8039 8.8745 121.4309 60.2361 70.0897 172.8344 110 V 4.8861 8.2808 128.9380 61.0109 32.9635 175.0099 111 K 4.1632 9.2465 131.1743 56.5172 33.0919 176.3124 112 A 4.9091 8.5920 130.7363 50.3810 21.0323 176.6951 113 A 4.2538 8.3039 117.5365 52.8357 19.4298 176.3185 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 1 A 8.49 4.94 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 2 W 8.08 4.72 0.00 3.57 3.12 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 0.00 0.00 0.00 3 V 8.77 4.42 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 0.69 0.00 0.00 1.00 0.00 0.00 4 D 8.29 4.95 0.00 2.18 2.34 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 5 Q 8.71 5.15 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 6 T 9.01 5.00 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 1.27 0.00 0.00 7 P 0.00 4.96 0.00 2.27 2.05 0.00 3.83 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 1.95 1.99 0.00 8 R 8.86 4.47 0.00 1.82 2.05 0.00 3.41 0.00 0.00 3.37 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 0.00 9 S 7.86 5.32 0.00 3.84 3.80 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 10 V 8.74 4.68 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 0.64 0.00 0.00 0.92 0.00 0.00 11 T 8.49 5.14 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 1.22 0.00 0.00 12 K 9.14 4.73 0.00 1.58 1.65 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.52 7.81 13 E 9.37 4.95 0.00 2.01 1.84 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 2.26 2.27 0.00 14 T 8.05 4.14 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 1.26 0.00 0.00 15 G 8.53 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 16 E 8.26 4.39 0.00 2.08 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 2.29 2.27 0.00 17 S 8.36 5.15 0.00 3.69 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 18 L 8.38 4.66 0.00 1.58 1.31 0.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.47 4.89 4.19 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 1.20 0.00 0.00 20 I 8.73 4.56 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 1.21 0.00 0.00 21 N 8.95 5.21 0.00 2.66 2.67 0.00 0.00 6.35 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 22 C 8.86 5.41 0.00 1.31 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 23 A 8.32 5.08 1.08 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 0.00 0.00 24 L 8.58 4.11 0.00 1.74 1.58 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.34 4.27 0.00 0.79 0.79 0.00 1.56 0.00 0.00 1.36 0.00 0.00 2.69 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.08 1.25 7.81 26 N 8.79 4.29 0.00 3.01 2.95 0.00 0.00 6.67 7.35 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 27 A 7.71 4.33 0.64 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 28 A 8.47 4.13 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 29 D 7.45 4.71 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.56 0.00 2.64 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 31 L 8.59 4.07 0.00 1.64 1.58 0.64 0.86 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 32 E 9.15 4.58 0.00 1.90 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 2.49 2.41 0.00 33 R 7.65 4.82 0.00 1.77 1.92 0.00 2.69 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 34 T 8.33 5.01 4.07 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 0.43 0.00 0.00 35 D 8.97 5.06 0.00 2.99 2.42 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 36 W 8.15 5.48 0.00 3.16 3.10 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 0.00 0.00 0.00 37 Y 8.92 5.46 0.00 3.10 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 38 R 9.21 4.79 0.00 0.80 1.58 0.00 2.70 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 39 T 8.64 4.81 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 1.19 0.00 0.00 40 T 8.20 4.79 4.53 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 1.02 0.00 0.00 41 L 8.58 4.15 0.00 1.73 1.79 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.96 3.73 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 0.00 0.00 0.00 43 S 7.58 4.86 0.00 3.95 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 44 T 8.61 3.89 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 1.22 0.00 0.00 45 N 7.60 4.83 0.00 2.72 2.79 0.00 0.00 6.83 7.66 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 46 E 8.79 4.45 0.00 1.95 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 2.36 2.16 0.00 47 Q 9.14 4.81 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 48 K 8.73 4.30 0.00 1.88 1.73 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.18 0.87 7.81 49 I 8.27 3.59 1.75 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 1.00 0.71 -0.06 0.00 0.00 50 S 8.38 4.37 0.00 3.79 3.79 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 0.00 0.00 0.00 0.00 51 I 8.28 3.67 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.98 0.98 0.00 0.00 52 G 9.85 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 53 G 8.13 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 0.00 0.00 0.00 54 R 8.71 3.81 0.00 1.27 0.96 0.00 2.95 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 55 Y 8.67 5.16 0.00 3.01 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 56 V 8.57 4.64 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 0.82 0.00 0.00 0.90 0.00 0.00 57 E 8.85 4.98 0.00 1.98 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 2.49 2.49 0.00 58 T 8.66 4.67 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 1.25 0.00 0.00 59 V 8.59 4.73 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 0.82 0.00 0.00 1.13 0.00 0.00 60 N 8.98 4.89 0.00 2.85 2.72 0.00 0.00 6.90 5.69 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 61 K 8.76 3.92 0.00 1.79 1.88 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.45 7.81 62 G 8.37 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.27 4.45 0.00 4.01 4.10 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 0.00 0.00 0.00 64 K 7.68 3.83 0.00 1.96 1.90 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.34 7.81 65 S 7.30 5.44 0.00 4.06 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 66 F 8.59 5.45 0.00 3.32 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 67 S 9.37 5.37 0.00 3.87 3.98 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 68 L 8.49 4.75 0.00 0.27 0.13 0.52 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.83 4.96 0.00 1.77 1.63 0.00 3.03 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 70 I 8.96 4.78 1.75 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 1.45 0.58 0.78 0.00 0.00 71 R 8.56 4.45 0.00 1.54 1.75 0.00 3.21 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 72 D 8.40 4.41 0.00 2.72 2.67 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 73 L 7.65 4.31 0.00 1.74 1.58 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.31 5.01 0.00 1.86 1.84 0.00 3.40 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 75 V 8.46 3.65 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 0.84 0.00 0.00 0.95 0.00 0.00 76 E 8.28 4.01 0.00 1.97 2.07 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 2.35 2.44 0.00 77 D 8.08 4.73 0.00 2.88 2.91 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 78 S 8.39 4.48 0.00 3.98 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 79 G 7.92 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 0.00 0.00 0.00 80 T 7.75 5.05 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 1.27 0.00 0.00 81 Y 9.29 5.28 0.00 3.04 3.10 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 0.00 0.00 0.00 82 K 9.28 5.09 0.00 1.77 1.72 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 83 C 8.72 4.15 0.00 1.93 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 84 G 8.64 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 5.03 1.22 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 0.00 0.00 86 Y 8.59 4.81 0.00 2.90 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 87 F 7.93 5.52 0.00 3.05 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 88 S 8.75 4.47 0.00 3.90 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 *99 P 0.00 4.11 0.00 1.98 2.01 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 100 G 7.69 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 101 E 9.06 4.75 0.00 2.18 1.84 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 2.33 2.41 0.00 102 K 8.68 4.95 0.00 1.65 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.36 7.81 103 G 8.91 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 0.00 104 A 8.69 4.15 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 0.00 105 G 7.85 4.52 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 0.00 106 T 8.99 4.92 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 1.31 0.00 0.00 107 V 9.41 4.56 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 0.97 0.00 0.00 0.99 0.00 0.00 108 L 9.34 5.10 0.00 1.79 1.90 0.96 0.57 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 0.00 109 T 8.87 4.80 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 1.24 0.00 0.00 110 V 8.28 4.89 2.17 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 0.85 0.00 0.00 0.98 0.00 0.00 111 K 9.25 4.16 0.00 1.81 1.66 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.55 7.81 112 A 8.59 4.91 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 0.00 113 A 8.30 4.25 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.