NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2020 8.1400 114.8039 57.8967 64.5880 174.0694 2 L 3.9292 8.3986 121.8705 57.7892 41.5658 177.4270 3 I 3.6649 8.5708 120.9244 64.5588 37.4392 177.5830 4 E 4.0516 7.7366 118.5695 59.1404 29.2338 178.8097 5 L 3.9857 8.3107 120.8714 58.8153 42.0838 179.3736 6 T 3.9127 8.3892 115.7918 66.2851 68.3908 176.6338 7 K 3.9497 8.0844 121.5957 59.9915 32.2437 178.6917 8 M 3.9767 8.3400 119.1859 58.4020 31.8193 179.0293 9 V 3.5281 8.0465 118.5860 65.8154 31.4145 177.8521 10 F 4.2547 8.5810 120.9281 61.3061 38.9921 177.1436 11 Q 3.3160 7.9749 117.0083 58.6375 28.4212 178.4604 12 E 4.2142 8.1831 118.8664 59.6098 29.4267 178.8916 13 T 4.1605 7.8334 109.3489 63.3961 69.2240 176.5487 *15 G 3.4520 7.5498 106.7539 44.1804 0.0000 172.0430 16 K 4.2623 7.3338 118.4782 53.7640 34.2027 176.3561 17 N 4.4195 8.4244 119.5826 53.7154 39.7847 174.1519 18 P 4.6391 0.0000 0.0000 64.7206 31.4523 178.8893 19 V 3.7432 8.0160 119.0494 65.7242 31.4185 177.8972 20 T 4.0146 7.8380 107.6244 64.9327 69.0725 175.9131 21 Y 4.0062 8.1398 120.2444 59.4010 37.9486 175.9438 22 Y 5.1466 7.9315 112.5883 57.4746 40.5283 176.2775 23 T 4.0163 8.0176 118.0479 66.0946 69.0278 173.7112 24 L 4.8406 7.7619 123.5393 53.9057 43.9955 173.8194 25 Y 4.9733 8.9196 127.2533 57.1528 42.7977 174.6864 26 G 3.3281 8.0325 116.8135 47.4023 0.0000 173.6181 27 C 4.8555 9.2198 117.8791 56.9405 41.4008 173.7846 28 N 4.7073 8.6731 115.5357 53.1241 40.8900 173.8916 29 C 4.5370 8.1880 116.8191 57.3203 36.8655 173.9058 30 G 4.9673 8.7607 110.2487 45.8833 0.0000 172.9682 31 V 3.6506 8.0705 112.8954 62.4749 31.9987 176.9021 32 G 3.9320 8.7594 110.4783 46.1392 0.0000 173.2055 33 R 4.5484 7.5937 118.8776 54.6687 31.2945 176.2840 34 R 4.6835 8.9294 120.3600 53.6721 34.1501 174.7355 35 G 4.1675 8.3071 110.3966 44.0855 0.0000 172.0148 36 K 3.6976 7.8920 122.0817 55.3873 32.4016 174.9624 37 P 4.4318 0.0000 0.0000 62.9741 31.7213 176.6570 38 K 3.9368 9.5385 123.2014 58.3401 32.5134 176.1361 39 D 4.4007 7.0188 115.5344 51.7577 41.9080 175.6167 40 A 3.9937 8.5058 119.6896 55.8159 18.0435 179.8269 41 T 3.7531 8.0069 113.8014 66.8789 68.6252 175.7217 42 D 4.5402 8.6731 119.8276 57.7837 41.1919 178.5598 43 R 4.0313 8.3586 119.1373 59.5303 30.0486 177.4613 44 C 4.1194 8.7134 116.7913 60.6318 41.3156 175.7583 45 C 4.2208 7.8911 117.5586 59.6736 38.3786 175.9088 46 F 4.2315 8.3683 122.3249 61.4793 39.0446 177.2545 47 V 3.2286 8.3740 118.1480 66.0834 31.1088 177.4456 48 H 3.9238 8.1745 117.7950 59.3280 29.7420 177.4399 49 R 3.6371 7.8961 119.8571 59.4121 29.6336 178.2943 50 C 4.0695 7.9021 115.6820 59.9844 40.1563 175.1554 51 C 4.3272 7.9691 119.4069 60.0896 39.6216 174.8135 52 Y 4.2947 8.1237 118.4148 61.3186 37.4401 179.1058 53 K 3.9113 8.1339 119.3002 59.1711 31.9458 179.0181 *57 K 4.4677 7.7393 115.2978 55.8016 34.0249 175.9820 58 L 4.2006 7.5633 119.8653 54.3941 42.0789 176.4407 59 T 4.4520 8.5094 112.6830 60.5254 70.7718 173.2715 60 G 3.8479 8.7522 113.3762 45.4014 0.0000 171.3444 61 C 4.4870 7.7348 113.6895 54.6074 39.9452 172.0758 *67 D 4.9701 8.2549 117.2322 53.5907 40.9446 174.0916 68 P 4.0037 0.0000 0.0000 65.2202 31.8779 178.4669 69 K 4.1729 8.0944 117.6090 59.2945 32.2937 179.0727 70 K 4.0597 7.8940 115.7907 58.1522 32.7356 176.8551 71 D 4.5642 7.8166 119.3594 53.1560 40.8100 176.4809 72 R 4.2203 8.3629 124.9643 56.6253 30.7719 174.5020 73 Y 4.9544 7.7812 119.0877 56.2358 41.4320 173.8707 74 S 5.0080 9.5795 117.0782 57.2069 64.5795 173.4079 75 Y 5.5541 8.4938 122.0556 55.4867 41.6067 174.0287 76 S 4.7617 9.3643 114.1050 56.2721 67.0267 172.9055 77 W 5.4124 8.9287 130.4503 56.0201 32.1943 174.3230 78 E 4.5118 8.7857 127.4984 55.5023 31.5092 176.5072 79 N 4.3469 9.3240 121.7924 54.7973 36.4529 173.8902 80 K 2.0000 7.3772 109.8021 56.5011 30.1132 175.2562 81 A 4.3509 6.4340 117.0219 50.0245 23.0850 176.7693 82 I 4.7851 8.4386 121.2240 61.1685 38.6035 175.7591 83 V 4.2874 9.3930 125.6459 61.1730 34.1726 175.0803 84 C 4.9360 8.8233 128.3741 55.7219 38.4860 173.9536 85 G 3.4558 8.1406 109.8117 47.0880 0.0000 171.2603 86 E 3.8079 7.8342 120.0162 56.7002 29.8661 176.8394 87 K 4.0768 8.7602 127.4485 59.0274 32.9268 176.7087 88 N 4.4041 8.3816 118.7829 52.6717 39.6542 173.4364 *90 P 4.3407 0.0000 0.0000 63.0071 33.5892 179.2589 91 C 4.4009 8.0573 117.9580 59.4502 42.9333 175.3982 92 L 3.7693 7.8209 120.0714 57.3891 41.1451 179.1864 93 K 3.8153 8.1960 119.9488 59.1598 32.1301 178.6932 94 E 3.8895 8.1265 119.0388 59.3291 29.4415 179.1472 95 L 3.9073 7.8825 120.4624 58.0315 42.1339 178.0310 96 C 3.3904 7.7357 118.8048 59.5435 43.6429 175.5563 97 E 3.9431 8.3009 120.3589 59.2922 28.9617 178.7877 98 C 4.3129 8.2049 116.8383 60.2325 36.7193 175.8863 99 D 4.3661 8.1554 120.3519 57.1146 40.5148 178.7675 100 K 3.8731 8.4853 120.4131 59.3061 32.1633 178.7998 101 A 3.9827 8.2857 121.6357 55.1114 18.2936 180.0308 102 V 3.5185 7.9020 117.5368 64.7143 31.3781 178.4753 103 A 3.8151 7.8504 121.4056 54.9395 18.1562 179.7241 104 I 3.8048 7.6077 118.0739 64.6554 36.9682 177.8500 105 C 4.2375 8.2293 118.5418 59.6126 39.7933 175.3728 106 L 4.0168 8.4439 120.8905 57.6369 41.1847 179.3032 107 R 3.8426 8.0375 118.6730 59.6122 29.8308 178.6474 108 K 4.0155 8.2042 116.9636 58.7579 32.2948 177.9718 109 N 4.9139 7.8053 114.3266 52.9215 39.0918 176.3471 110 L 4.2591 7.9834 123.3131 57.7866 41.3908 179.4083 111 G 3.8296 8.2620 107.1043 48.3186 0.0000 174.0599 112 T 4.5583 7.8206 106.7445 60.9071 69.2517 173.6835 113 Y 4.0898 7.9317 124.2333 58.2335 39.3776 174.6394 114 D 4.9771 9.1580 126.0717 51.7799 42.8884 176.2637 115 K 4.0271 8.8727 127.5454 59.5667 31.9669 178.5660 116 N 4.4575 8.0547 116.5751 56.6523 38.4068 176.0102 117 Y 3.7887 7.3280 115.1932 58.6377 37.4756 177.3985 118 R 4.8812 7.4005 120.8737 56.0676 31.0091 176.6388 119 F 4.6476 7.8987 118.6299 55.8771 38.0875 176.6879 120 T 3.5105 8.1671 120.3964 65.2794 67.5880 175.3266 121 M 4.2642 7.8115 117.3511 56.4939 32.1944 177.2947 122 K 4.2762 8.5805 118.8286 57.7021 32.9573 176.3181 123 F 4.7835 7.1503 111.9496 55.7142 40.9222 173.0649 *125 L 4.6058 7.9611 119.6081 55.0182 42.4570 177.1897 126 C 4.7968 8.4608 119.3035 55.7291 42.1262 173.5961 127 D 4.4905 8.5120 124.0324 53.8062 42.4476 174.9938 *129 K 4.2515 8.2919 119.9160 55.6311 32.9125 173.7524 130 P 4.1516 0.0000 0.0000 62.8650 31.8869 176.1080 131 E 4.2035 7.9926 120.7321 55.8109 30.3163 176.2598 132 K 4.5359 8.2441 121.4397 55.3458 33.5124 177.3315 133 C 4.3936 8.8224 120.6894 57.4362 41.0656 173.7166 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 S 8.14 5.20 0.00 4.06 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 0.00 2 L 8.40 3.93 0.00 1.86 1.75 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.57 3.66 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 1.61 0.24 0.87 0.00 0.00 4 E 7.74 4.05 0.00 1.74 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 1.89 2.34 0.00 5 L 8.31 3.99 0.00 2.02 1.92 0.93 0.87 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 6 T 8.39 3.91 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 1.26 0.00 0.00 7 K 8.08 3.95 0.00 2.15 2.05 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 8 M 8.34 3.98 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.93 0.00 9 V 8.05 3.53 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 0.91 0.00 0.00 0.83 0.00 0.00 10 F 8.58 4.25 0.00 3.16 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 11 Q 7.97 3.32 0.00 1.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 1.63 2.39 0.00 12 E 8.18 4.21 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 2.57 2.49 0.00 13 T 7.83 4.16 4.16 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 1.24 0.00 0.00 *15 G 7.55 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 0.00 0.00 0.00 16 K 7.33 4.26 0.00 1.18 0.74 0.00 1.01 0.00 0.00 1.27 0.00 0.00 2.61 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.07 0.31 7.81 17 N 8.42 4.42 0.00 2.82 2.79 0.00 0.00 7.02 7.71 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 18 P 0.00 4.64 0.00 2.34 2.29 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 19 V 8.02 3.74 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 1.14 0.00 0.00 0.96 0.00 0.00 20 T 7.84 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 1.26 0.00 0.00 21 Y 8.14 4.01 0.00 2.69 1.46 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 0.00 22 Y 7.93 5.15 0.00 3.18 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 23 T 8.02 4.02 4.54 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 1.26 0.00 0.00 24 L 7.76 4.84 0.00 1.69 1.50 0.96 0.76 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 25 Y 8.92 4.97 0.00 3.29 2.89 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 26 G 8.03 3.33 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 0.00 27 C 9.22 4.86 0.00 2.92 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 28 N 8.67 4.71 0.00 3.06 2.97 0.00 0.00 6.95 7.71 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 29 C 8.19 4.54 0.00 3.46 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 30 G 8.76 4.97 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 0.00 0.00 0.00 31 V 8.07 3.65 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 0.77 0.00 0.00 0.97 0.00 0.00 32 G 8.76 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 33 R 7.59 4.55 0.00 1.89 2.01 0.00 3.33 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.05 0.00 34 R 8.93 4.68 0.00 1.75 1.79 0.00 3.57 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 35 G 8.31 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 0.00 0.00 0.00 0.00 36 K 7.89 3.70 0.00 1.78 1.65 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.48 7.81 37 P 0.00 4.43 0.00 1.97 1.92 0.00 3.56 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 38 K 9.54 3.94 0.00 0.79 0.74 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.42 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.21 0.90 7.81 39 D 7.02 4.40 0.00 2.81 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 40 A 8.51 3.99 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.01 3.75 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 0.83 0.00 0.00 42 D 8.67 4.54 0.00 2.87 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 43 R 8.36 4.03 0.00 2.02 2.11 0.00 3.22 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 44 C 8.71 4.12 0.00 3.09 3.06 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 0.00 0.00 0.00 0.00 45 C 7.89 4.22 0.00 3.26 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 46 F 8.37 4.23 0.00 3.02 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 47 V 8.37 3.23 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 0.97 0.00 0.00 48 H 8.17 3.92 0.00 3.17 3.32 0.00 5.65 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 49 R 7.90 3.64 0.00 1.95 1.93 0.00 3.24 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 1.53 1.66 0.00 50 C 7.90 4.07 0.00 2.72 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 51 C 7.97 4.33 0.00 2.98 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 52 Y 8.12 4.29 0.00 3.06 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 53 K 8.13 3.91 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.63 7.81 *57 K 7.74 4.47 0.00 1.93 1.89 0.00 1.77 0.00 0.00 2.33 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.57 7.81 58 L 7.56 4.20 0.00 1.74 1.55 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.51 4.45 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 1.26 0.00 0.00 60 G 8.75 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 61 C 7.73 4.49 0.00 3.27 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 *67 D 8.25 4.97 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 68 P 0.00 4.00 0.00 1.29 0.49 0.00 3.58 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 1.65 1.61 0.00 69 K 8.09 4.17 0.00 1.83 1.88 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.47 7.81 70 K 7.89 4.06 0.00 1.73 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.72 7.81 71 D 7.82 4.56 0.00 2.84 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 72 R 8.36 4.22 0.00 1.68 1.80 0.00 3.31 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 73 Y 7.78 4.95 0.00 3.25 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 74 S 9.58 5.01 0.00 3.99 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 75 Y 8.49 5.55 0.00 3.29 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 76 S 9.36 4.76 0.00 3.93 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 77 W 8.93 5.41 0.00 3.46 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 78 E 8.79 4.51 0.00 1.98 1.73 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 2.19 2.24 0.00 79 N 9.32 4.35 0.00 2.68 2.74 0.00 0.00 7.26 7.61 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 80 K 7.38 2.00 0.00 1.58 1.62 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.28 7.81 81 A 6.43 4.35 0.99 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 0.00 0.00 82 I 8.44 4.79 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 1.41 1.23 0.92 0.00 0.00 83 V 9.39 4.29 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 1.13 0.00 0.00 0.95 0.00 0.00 84 C 8.82 4.94 0.00 3.16 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 85 G 8.14 3.46 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 0.00 0.00 0.00 0.00 86 E 7.83 3.81 0.00 2.24 1.93 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 2.44 2.55 0.00 87 K 8.76 4.08 0.00 1.77 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.43 7.81 88 N 8.38 4.40 0.00 2.87 2.90 0.00 0.00 6.94 7.77 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 *90 P 0.00 4.34 0.00 2.27 2.32 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 91 C 8.06 4.40 0.00 2.99 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 92 L 7.82 3.77 0.00 1.90 1.74 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.20 3.82 0.00 1.98 1.85 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 94 E 8.13 3.89 0.00 2.29 1.93 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 2.30 2.28 0.00 95 L 7.88 3.91 0.00 1.61 1.76 0.71 0.85 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 96 C 7.74 3.39 0.00 1.78 2.85 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 97 E 8.30 3.94 0.00 2.11 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 2.48 2.45 0.00 98 C 8.20 4.31 0.00 3.41 3.23 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 99 D 8.16 4.37 0.00 2.98 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 0.00 100 K 8.49 3.87 0.00 1.72 1.94 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 101 A 8.29 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.52 1.89 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 0.60 0.00 0.00 0.75 0.00 0.00 103 A 7.85 3.82 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 0.00 104 I 7.61 3.80 2.00 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 1.54 0.82 0.90 0.00 0.00 105 C 8.23 4.24 0.00 2.99 3.18 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 0.00 106 L 8.44 4.02 0.00 1.56 1.44 0.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.04 3.84 0.00 1.94 2.14 0.00 3.11 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 108 K 8.20 4.02 0.00 1.89 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.68 7.81 109 N 7.81 4.91 0.00 2.88 2.86 0.00 0.00 6.88 6.76 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 0.00 110 L 7.98 4.26 0.00 1.87 1.76 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.26 3.83 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 0.00 112 T 7.82 4.56 4.32 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 1.26 0.00 0.00 113 Y 7.93 4.09 0.00 3.09 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 0.00 114 D 9.16 4.98 0.00 2.67 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 0.00 115 K 8.87 4.03 0.00 1.94 1.99 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.63 1.74 7.81 116 N 8.05 4.46 0.00 2.42 2.59 0.00 0.00 6.88 8.65 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 0.00 117 Y 7.33 3.79 0.00 1.73 1.70 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 0.00 118 R 7.40 4.88 0.00 0.88 1.46 0.00 2.82 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 119 F 7.90 4.65 0.00 3.21 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 0.00 120 T 8.17 3.51 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 1.15 0.00 0.00 121 M 7.81 4.26 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 122 K 8.58 4.28 0.00 2.25 2.11 0.00 2.13 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.48 1.40 7.81 123 F 7.15 4.78 0.00 3.37 3.20 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 *125 L 7.96 4.61 0.00 1.73 1.70 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.46 4.80 0.00 2.83 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 0.00 127 D 8.51 4.49 0.00 2.55 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 *129 K 8.29 4.25 0.00 1.78 1.73 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.48 7.81 130 P 0.00 4.15 0.00 2.09 1.99 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 131 E 7.99 4.20 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 2.14 1.86 0.00 132 K 8.24 4.54 0.00 1.77 1.76 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.50 7.81 133 C 8.82 4.39 0.00 2.96 2.86 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 * Residues marked with a * may have inaccurate shift predictions.