NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6481 8.2233 120.4567 54.0960 42.0619 171.8986 3 I 5.0238 7.9509 122.2880 57.1910 39.3399 173.2455 4 R 4.8230 9.3815 123.2722 54.1675 33.8436 173.7879 5 Q 4.0532 8.6294 121.9066 55.7516 29.7243 175.3277 6 M 4.2700 8.4681 127.6167 55.8221 33.3395 174.8353 7 N 4.9620 8.5594 121.1847 50.5971 41.1718 174.5417 8 K 3.8375 8.6413 118.0936 59.9488 32.2936 178.4189 9 T 3.8194 7.6473 107.3805 65.4476 68.4808 175.6882 10 H 4.4150 7.6766 118.0367 56.8739 28.6526 177.2944 11 L 3.9712 7.9419 122.1090 57.9914 41.1554 179.0573 12 E 3.9165 8.0962 118.2210 59.7707 29.6089 178.3457 13 H 4.2005 8.1954 115.7176 58.6310 28.8143 177.3304 14 W 4.0676 8.4081 130.0962 60.6329 30.3994 178.2767 15 R 3.5826 8.1542 117.7351 58.8992 29.2762 179.1850 16 G 3.5645 7.7107 105.3299 47.8699 0.0000 175.7831 17 L 4.0891 7.5229 121.4271 57.3520 41.4678 179.4829 18 R 3.4659 7.0772 117.8094 58.9746 29.8722 178.0654 19 K 3.8369 7.6358 118.8109 59.5581 32.1622 178.4129 20 Q 3.9635 7.0462 116.0394 58.1275 28.6934 177.9448 21 L 3.6697 6.8870 120.4783 57.7193 42.4478 177.5137 *32 A 4.4057 7.7108 120.3442 52.4146 20.8838 178.4189 33 D 4.5261 8.1728 114.3544 57.3203 41.1890 179.0050 34 G 3.2888 8.5523 105.7471 47.7763 0.0000 175.1233 35 E 3.8729 7.9532 120.0427 59.3780 29.6481 178.6816 36 E 3.8972 7.9558 119.1867 59.4893 29.4570 179.1217 37 I 3.6530 7.8971 119.3047 64.2478 37.1828 178.1103 38 L 3.9831 7.5526 118.7935 57.8963 41.5107 179.3226 39 Q 4.0620 8.0815 116.8766 57.5432 29.0447 176.8136 40 A 4.4423 7.7382 121.9912 51.3989 19.6852 176.8096 41 D 4.5908 8.7140 120.3228 57.1179 41.8486 176.8293 42 H 4.8716 8.4364 112.5021 55.8451 29.7543 174.7133 43 L 5.4481 7.8148 118.2576 53.4820 44.7020 175.6335 44 A 4.1690 8.2550 122.3041 50.7628 22.9576 175.4315 45 S 5.0244 7.8127 116.2575 56.6107 67.2232 173.0840 46 F 5.1964 9.3399 121.4228 55.7888 42.6659 174.4078 47 I 5.3049 9.0584 121.5440 59.6338 41.4491 174.0198 48 A 5.1319 9.1054 128.2372 50.6310 21.0399 175.5450 49 M 5.0748 8.6043 121.9771 53.4509 34.8166 175.6058 50 A 4.5210 8.9074 125.3207 51.5345 21.5592 175.8884 51 D 4.3820 9.9842 123.3731 55.3668 39.7966 174.2827 52 G 3.9183 8.4627 102.3209 45.3147 0.0000 173.6604 53 V 3.9761 7.6651 119.5169 60.1782 33.6252 174.6449 54 A 4.4475 8.1917 130.2774 52.3141 18.5227 176.8167 55 I 4.3110 8.6146 116.2589 60.4051 39.0230 175.3547 56 G 4.5116 7.7049 107.7532 46.1386 0.0000 172.4856 57 F 5.7302 8.8609 116.1388 55.5123 42.2841 172.9651 58 A 4.9748 9.3303 120.5048 50.6143 22.4364 174.8406 59 D 5.4101 9.4833 122.6276 53.0523 43.5019 175.6238 60 A 5.6005 9.1836 123.4430 50.9848 23.6751 174.5996 61 S 5.3398 9.2088 112.1477 57.8785 67.0756 173.4535 62 I 4.8413 8.7100 122.1842 60.1027 38.1157 175.5611 63 R 4.6416 9.3884 127.3319 55.1997 31.6275 177.0649 64 H 4.6760 9.0123 118.8222 55.8071 30.1997 174.2380 65 D 4.8189 7.7249 119.2259 52.4616 42.3109 175.0596 66 Y 4.1329 8.4586 120.4944 58.0788 39.3498 175.0517 67 V 4.2546 7.2983 125.0693 60.5133 33.4696 174.2995 68 N 4.2403 8.0283 123.7726 54.5242 38.6392 175.5974 69 G 4.0867 9.0150 110.0731 46.5331 0.0000 172.4927 70 C 4.7866 7.8085 117.4025 57.9793 30.0889 173.4735 71 D 4.8556 8.9227 121.9834 52.9347 39.6575 175.4509 72 S 4.8543 8.6823 114.1301 56.9441 66.0471 173.0242 73 S 4.5536 8.0570 113.4781 56.1823 64.8660 171.7642 74 P 4.7535 0.0000 0.0000 62.6056 32.6875 175.0992 75 V 4.6119 8.6001 119.0665 61.0428 35.0395 174.1750 76 V 4.5862 8.4250 126.8376 61.9346 33.1866 174.2116 77 F 4.9965 9.5416 130.6653 56.2015 42.0424 174.0214 78 L 4.2737 8.2053 129.0564 54.6629 40.8710 176.1172 79 E 4.4606 9.5560 127.6764 59.1646 30.1739 177.5915 80 G 4.2019 7.9843 103.2961 45.9006 0.0000 172.4159 81 I 4.7544 8.1633 120.4155 59.5300 41.2572 173.6528 82 F 4.7790 8.3268 129.9029 56.8825 43.2564 172.9390 83 V 4.5648 7.0490 124.1307 60.5268 34.3379 174.8048 84 L 3.7653 8.4588 127.2858 55.0554 42.4708 176.2938 85 P 4.1390 0.0000 0.0000 65.8518 31.3636 178.8214 86 S 4.1366 8.1344 109.9041 60.4623 62.9404 174.6406 87 F 4.5350 8.1260 118.8399 57.1339 38.8763 176.1221 88 R 4.1104 7.7614 120.2100 57.1316 30.3697 175.8749 89 Q 3.6234 8.6095 116.2332 57.8198 25.7024 174.4910 90 R 4.4714 8.2245 112.8537 55.6940 31.8220 176.7527 91 G 3.9416 8.2770 106.6917 45.6233 0.0000 175.7482 92 V 3.5328 7.8455 119.4837 65.9833 31.4607 177.7078 93 A 3.9649 7.8784 119.9466 54.9975 18.2682 179.1991 94 K 3.7977 8.0268 117.6936 59.6396 32.2193 178.6954 95 Q 3.8790 8.1024 119.7615 59.2361 29.0722 178.0840 96 L 3.9776 8.3970 120.3073 57.7992 41.4979 179.5913 97 I 3.8019 8.0950 119.8970 63.9476 37.0282 178.2268 98 A 3.9216 8.0136 121.6830 54.9874 18.1741 179.5472 99 A 3.7123 7.9039 119.3723 55.0612 18.2973 180.0829 100 V 3.1564 7.2514 116.8631 65.8295 31.5668 178.1156 101 Q 3.9399 8.3420 119.7580 59.1088 28.9588 177.9326 102 R 3.8628 8.0364 119.8357 59.3933 29.8714 178.0835 103 W 4.4646 8.0948 126.6509 60.4950 30.9209 177.9120 104 G 3.5983 8.5691 105.6222 48.1142 0.0000 175.4963 105 T 4.0100 8.3644 116.9338 64.3203 67.0606 174.6858 106 N 4.8620 7.8438 115.8045 52.9506 37.7070 175.8266 107 K 4.3113 7.6714 119.5318 56.0659 32.2699 176.8023 108 G 3.8072 7.6038 106.3946 46.2175 0.0000 173.3248 109 C 4.5823 7.7975 116.7482 58.5158 29.0327 174.1526 110 R 4.2972 8.5149 122.8022 57.1013 30.6219 175.8652 111 E 4.7867 7.6880 115.2398 54.9647 33.2502 173.5149 112 M 5.2338 8.6211 120.1367 53.9430 34.7814 174.3899 113 A 4.8777 8.8589 126.0463 50.7512 23.5107 174.2440 114 S 3.8439 7.8537 112.4239 57.8621 65.4796 172.8020 115 D 4.7048 8.2278 120.0221 52.8086 41.8792 173.9539 116 T 4.4076 7.7035 112.1440 60.9986 70.1572 172.9291 117 S 4.3531 8.3058 119.9350 57.3972 63.0856 173.4931 118 P 4.2640 0.0000 0.0000 65.4072 31.2125 177.4050 119 E 4.2256 8.0725 115.8614 57.4904 30.0289 177.5400 120 N 4.6653 7.9459 119.4884 52.2812 36.6737 174.8984 121 T 3.8585 7.8516 121.8323 66.1909 69.0786 175.7299 122 I 3.6759 7.6704 121.1496 64.2880 37.1957 178.0972 123 S 4.0442 8.1562 113.7172 61.6599 62.1693 176.0833 124 Q 3.9840 8.2034 120.6188 59.2037 28.4779 179.4153 125 K 3.9975 8.1035 119.3126 59.2038 32.0599 179.6980 126 V 3.5436 8.2466 118.9576 66.3207 31.5296 177.7033 127 H 4.0798 8.7686 116.2181 59.0905 28.5594 177.8278 128 Q 4.3277 8.6531 120.8969 58.5184 28.3515 178.6586 129 A 4.1025 8.3315 120.9910 54.8510 18.3920 178.6410 130 L 4.4519 7.7535 115.1938 54.7499 41.8257 177.7242 131 G 3.8485 8.2021 107.1741 45.3326 0.0000 173.9525 132 F 4.5582 8.3277 118.5100 56.0796 40.3359 174.2410 133 E 4.5991 8.4689 122.9212 53.8865 31.5293 175.4229 134 E 4.0716 8.9003 127.5146 56.7445 30.4487 175.3018 135 T 4.4423 8.5987 115.4433 62.6094 70.4471 173.9476 136 E 4.6597 7.7076 117.5792 54.4156 32.2880 173.9977 137 R 4.7257 8.2840 118.4667 54.7451 32.5155 176.0671 138 V 4.4634 7.9391 113.0778 60.0927 35.7501 173.9993 139 I 4.3523 7.9538 122.1562 59.5896 39.0130 175.3839 140 F 4.6952 8.3601 122.7502 55.9472 40.9861 174.4314 141 Y 4.8738 8.2113 119.9673 56.6146 41.5582 174.6614 142 R 4.6703 8.3141 118.5128 55.7832 32.8027 174.0142 143 K 4.5723 8.2818 123.6119 54.8298 35.1943 175.9176 144 R 4.1500 8.5238 123.0152 56.3097 30.3643 176.2491 145 C 4.2848 8.5232 116.6189 60.1390 28.3108 173.6328 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 2 D 8.22 4.65 0.00 2.79 2.78 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 0.00 0.00 0.00 0.00 3 I 7.95 5.02 1.89 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 1.42 0.88 0.98 0.00 0.00 4 R 9.38 4.82 0.00 1.79 1.98 0.00 2.83 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 5 Q 8.63 4.05 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.96 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 6 M 8.47 4.27 0.00 1.66 1.66 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.13 0.00 7 N 8.56 4.96 0.00 2.82 2.80 0.00 0.00 5.86 7.20 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 8 K 8.64 3.84 0.00 1.73 1.79 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.38 7.81 9 T 7.65 3.82 4.17 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 1.18 0.00 0.00 10 H 7.68 4.42 0.00 3.22 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.94 3.97 0.00 1.88 1.76 0.89 0.90 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 12 E 8.10 3.92 0.00 2.05 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 2.33 2.43 0.00 13 H 8.20 4.20 0.00 3.28 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.41 4.07 0.00 3.34 3.34 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 15 R 8.15 3.58 0.00 1.98 1.84 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 16 G 7.71 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.52 4.09 0.00 1.56 2.10 1.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.08 3.47 0.00 0.67 1.33 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.10 0.00 19 K 7.64 3.84 0.00 1.72 1.90 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.43 7.81 20 Q 7.05 3.96 0.00 1.54 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 21 L 6.89 3.67 0.00 1.23 1.57 1.01 1.15 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 *32 A 7.71 4.41 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 33 D 8.17 4.53 0.00 3.08 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 34 G 8.55 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 0.00 0.00 0.00 35 E 7.95 3.87 0.00 2.22 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 2.39 2.30 0.00 36 E 7.96 3.90 0.00 2.04 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 2.33 2.41 0.00 37 I 7.90 3.65 1.65 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 1.46 0.76 0.63 0.00 0.00 38 L 7.55 3.98 0.00 1.74 1.62 0.70 0.62 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 39 Q 8.08 4.06 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 40 A 7.74 4.44 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 41 D 8.71 4.59 0.00 2.69 2.78 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 0.00 0.00 0.00 0.00 42 H 8.44 4.87 0.00 3.38 3.61 0.00 5.45 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 43 L 7.81 5.45 0.00 1.43 1.51 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.26 4.17 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.81 5.02 0.00 3.30 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 46 F 9.34 5.20 0.00 2.99 2.92 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 47 I 9.06 5.30 1.79 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 1.36 0.88 0.89 0.00 0.00 48 A 9.11 5.13 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 49 M 8.60 5.07 0.00 1.87 2.09 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 2.52 2.57 0.00 50 A 8.91 4.52 1.13 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 0.00 0.00 0.00 0.00 0.00 51 D 9.98 4.38 0.00 2.76 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 52 G 8.46 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 V 7.67 3.98 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 0.93 0.00 0.00 0.99 0.00 0.00 54 A 8.19 4.45 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 55 I 8.61 4.31 0.92 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 0.25 0.58 0.30 0.00 0.00 56 G 7.70 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 57 F 8.86 5.73 0.00 3.45 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 58 A 9.33 4.97 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 59 D 9.48 5.41 0.00 2.85 2.79 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 60 A 9.18 5.60 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 61 S 9.21 5.34 0.00 4.08 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 62 I 8.71 4.84 1.92 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.76 0.00 0.00 63 R 9.39 4.64 0.00 1.74 1.85 0.00 3.20 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 64 H 9.01 4.68 0.00 3.12 3.36 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.72 4.82 0.00 2.71 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 66 Y 8.46 4.13 0.00 3.07 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 67 V 7.30 4.25 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 1.19 0.00 0.00 1.02 0.00 0.00 68 N 8.03 4.24 0.00 2.82 3.04 0.00 0.00 7.39 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 69 G 9.02 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 70 C 7.81 4.79 0.00 3.04 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 71 D 8.92 4.86 0.00 2.77 2.79 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 72 S 8.68 4.85 0.00 3.90 3.86 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 0.00 0.00 0.00 73 S 8.06 4.55 0.00 3.83 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 74 P 0.00 4.75 0.00 1.98 1.90 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 75 V 8.60 4.61 2.18 0.00 0.00 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 0.97 0.00 0.00 76 V 8.43 4.59 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 1.31 0.00 0.00 1.04 0.00 0.00 77 F 9.54 5.00 0.00 3.17 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 78 L 8.21 4.27 0.00 1.63 1.41 1.00 0.75 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 79 E 9.56 4.46 0.00 2.07 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 2.57 2.55 0.00 80 G 7.98 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 81 I 8.16 4.75 1.78 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 1.08 0.77 0.81 0.00 0.00 82 F 8.33 4.78 0.00 2.87 2.29 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 83 V 7.05 4.56 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 0.82 0.00 0.00 0.80 0.00 0.00 84 L 8.46 3.77 0.00 1.79 1.76 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.14 0.00 2.18 2.12 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 86 S 8.13 4.14 0.00 3.79 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 87 F 8.13 4.53 0.00 3.06 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 88 R 7.76 4.11 0.00 1.91 1.81 0.00 3.20 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 89 Q 8.61 3.62 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 90 R 8.22 4.47 0.00 1.79 1.91 0.00 3.15 0.00 0.00 3.42 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 91 G 8.28 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 92 V 7.85 3.53 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 0.87 0.00 0.00 1.03 0.00 0.00 93 A 7.88 3.96 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 94 K 8.03 3.80 0.00 1.82 1.97 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.49 7.81 95 Q 8.10 3.88 0.00 2.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 96 L 8.40 3.98 0.00 1.64 1.70 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.09 3.80 1.95 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 1.46 0.77 1.02 0.00 0.00 98 A 8.01 3.92 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 99 A 7.90 3.71 0.83 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 0.00 0.00 100 V 7.25 3.16 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 1.12 0.00 0.00 0.90 0.00 0.00 101 Q 8.34 3.94 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 102 R 8.04 3.86 0.00 1.91 2.05 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 103 W 8.09 4.46 0.00 3.50 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 0.00 104 G 8.57 3.60 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 0.00 0.00 0.00 105 T 8.36 4.01 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 0.00 106 N 7.84 4.86 0.00 2.88 2.88 0.00 0.00 6.99 6.95 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 0.00 107 K 7.67 4.31 0.00 1.49 1.53 0.00 1.51 0.00 0.00 1.40 0.00 0.00 2.67 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.76 0.28 7.81 108 G 7.60 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 0.00 0.00 0.00 109 C 7.80 4.58 0.00 2.94 3.01 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 0.00 110 R 8.51 4.30 0.00 1.79 1.96 0.00 3.18 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 111 E 7.69 4.79 0.00 1.97 1.97 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 2.27 2.32 0.00 112 M 8.62 5.23 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.81 0.00 113 A 8.86 4.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 3.84 0.00 3.37 3.16 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 0.00 115 D 8.23 4.70 0.00 2.87 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 0.00 116 T 7.70 4.41 4.13 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 0.00 0.00 1.15 0.00 0.00 117 S 8.31 4.35 0.00 3.90 3.72 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 0.00 118 P 0.00 4.26 0.00 2.08 2.11 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 119 E 8.07 4.23 0.00 1.96 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 2.33 2.29 0.00 120 N 7.95 4.67 0.00 2.76 2.79 0.00 0.00 7.06 6.83 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 0.00 121 T 7.85 3.86 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 0.00 122 I 7.67 3.68 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 1.51 0.51 0.89 0.00 0.00 123 S 8.16 4.04 0.00 3.99 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 0.00 124 Q 8.20 3.98 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 125 K 8.10 4.00 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 126 V 8.25 3.54 2.19 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 0.96 0.00 0.00 0.93 0.00 0.00 127 H 8.77 4.08 0.00 3.26 3.22 0.00 5.87 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 0.00 128 Q 8.65 4.33 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 129 A 8.33 4.10 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 0.00 130 L 7.75 4.45 0.00 1.89 1.80 0.97 0.78 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 0.00 131 G 8.20 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 0.00 132 F 8.33 4.56 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 0.00 133 E 8.47 4.60 0.00 1.90 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 2.19 2.33 0.00 134 E 8.90 4.07 0.00 1.97 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 2.31 2.31 0.00 135 T 8.60 4.44 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 1.29 0.00 0.00 136 E 7.71 4.66 0.00 2.07 1.94 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 2.23 2.37 0.00 137 R 8.28 4.73 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 138 V 7.94 4.46 1.79 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 0.65 0.00 0.00 0.39 0.00 0.00 139 I 7.95 4.35 1.77 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 1.36 0.53 0.47 0.00 0.00 140 F 8.36 4.70 0.00 2.98 2.94 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 0.00 141 Y 8.21 4.87 0.00 2.98 2.88 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 0.00 142 R 8.31 4.67 0.00 1.79 1.81 0.00 3.25 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 143 K 8.28 4.57 0.00 1.74 1.65 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.44 7.81 144 R 8.52 4.15 0.00 1.97 1.93 0.00 3.08 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 145 C 8.52 4.28 0.00 2.99 2.88 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 * Residues marked with a * may have inaccurate shift predictions.