NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6309 8.1648 122.9816 51.0677 19.2336 176.6976 3 P 4.3535 0.0000 0.0000 62.4711 31.8988 175.9296 4 K 4.3232 9.4386 122.9820 59.2338 33.5992 177.0854 5 A 4.6212 7.4084 115.6546 50.9423 23.4326 175.3999 6 V 4.7448 8.8075 122.2768 61.1506 34.1760 174.2888 7 L 5.1415 9.3741 129.1187 53.7641 43.2962 176.2966 8 V 4.7889 10.0621 116.5092 58.9217 36.2202 175.2506 9 G 3.9348 8.1220 110.4475 44.0365 0.0000 172.0013 10 L 4.2531 7.1607 119.2380 52.9296 42.2742 175.2153 11 P 4.5230 0.0000 0.0000 64.1977 31.5356 177.4856 12 G 4.0766 9.0177 111.0613 45.4218 0.0000 174.3266 13 S 4.1849 8.0665 114.6815 59.2631 63.6356 175.6062 14 G 4.2397 8.7095 109.6039 45.5040 0.0000 175.3346 15 K 3.8350 8.6096 120.7272 59.8083 32.0971 179.1705 16 S 4.1545 7.9911 114.3942 61.8170 62.8699 176.7795 17 T 3.8618 7.7814 117.8525 66.9145 68.4354 176.9165 18 I 3.8897 8.3719 122.1452 64.0117 37.0548 178.9144 19 G 3.5734 8.1067 106.9135 47.7343 0.0000 175.4904 20 R 3.8715 7.8371 121.3540 59.4173 30.1237 178.7820 21 R 4.0089 7.9821 117.5731 59.0474 29.9706 178.9958 22 L 3.9175 8.4881 120.4309 57.9197 42.1214 178.6886 23 A 3.9718 8.4838 121.0793 55.2725 18.1545 179.3951 24 K 3.8167 8.2584 116.7100 59.5670 32.2348 178.5391 25 A 4.1295 7.7651 120.0091 55.3301 18.5316 179.5419 26 L 4.1530 7.9218 115.6720 55.8353 41.6424 178.2880 27 G 3.8336 8.1143 106.4727 45.9818 0.0000 173.0625 28 V 4.4511 7.5597 111.5981 58.7049 35.0900 175.1712 29 G 4.0451 8.2602 107.2581 45.8676 0.0000 172.3398 30 L 5.1928 8.3934 122.9624 52.9678 44.0665 175.1238 31 L 4.5067 8.9634 128.9358 53.3710 44.5120 174.4800 32 D 5.2412 8.5629 127.3895 52.8596 42.2172 176.4093 33 T 3.8986 8.8825 119.1975 65.3120 68.3840 175.7862 34 D 4.4315 8.3107 121.1226 57.1504 40.8413 178.6634 35 V 3.6801 8.0673 117.8837 66.1551 31.5195 177.4138 36 A 3.9763 8.3244 120.6747 55.4488 18.1555 179.3723 37 I 3.5819 8.1315 118.3304 64.8032 37.4008 178.3587 38 E 4.6347 8.1699 120.0767 58.0242 29.1221 179.1782 39 Q 4.1361 7.1839 116.8900 58.1761 29.6663 177.7385 40 R 4.0204 7.9089 118.1082 58.6787 30.0821 177.5225 41 T 4.3799 7.9759 108.1475 61.0568 70.1108 176.0698 42 G 3.9821 7.9845 108.1631 45.2730 0.0000 173.2236 43 R 4.6972 7.3930 118.1808 53.9979 33.0787 175.6686 44 S 4.8348 8.2108 114.4527 58.0508 65.4118 175.2785 45 I 3.7427 8.4319 123.9068 64.7428 36.8837 178.6959 46 A 4.0629 8.0636 120.9699 55.3298 17.7171 179.1490 47 D 4.4508 7.9643 117.1067 57.1498 40.9579 179.0578 48 I 3.8738 7.8614 120.7236 64.0335 37.0839 178.3362 49 F 3.9007 8.3444 118.5136 60.5166 38.6849 177.0486 50 A 4.3793 7.7984 116.2125 53.5000 18.3908 178.2793 51 T 4.4941 7.4647 112.2244 63.7252 70.6461 174.6843 52 D 4.6323 8.7578 117.4811 52.6188 43.4874 176.4393 53 G 3.9842 8.1157 106.0523 45.0115 0.0000 174.2558 54 E 3.7495 8.7035 116.8443 59.7004 29.0661 179.4337 55 Q 3.5487 8.2029 117.4842 59.2226 28.8046 179.1854 56 E 4.0026 8.0269 119.3751 58.7655 29.9749 178.0908 57 F 4.0430 7.8885 120.5575 61.2257 39.3414 177.3915 58 R 3.8460 8.9230 119.1272 58.9939 29.8158 179.2248 59 R 3.9125 7.6358 115.6425 59.1535 29.4092 179.0167 60 I 3.4978 7.4423 120.1083 63.9560 37.1380 177.5444 61 E 3.5640 7.8854 120.4128 59.4912 29.2542 178.4318 62 E 3.8220 8.3214 119.2586 59.5681 29.5506 178.4139 63 D 4.3644 7.9200 117.8368 57.1418 41.2589 178.4595 64 V 3.4982 7.9055 118.9707 65.8260 31.5955 177.9709 65 V 3.5165 8.2530 118.3359 66.1988 31.3372 178.0616 66 R 3.8589 8.0499 117.2702 59.1926 29.9516 178.7193 67 A 3.9306 7.7563 119.7356 55.2808 18.3367 179.3578 68 A 3.9556 8.4284 119.3340 55.5461 18.3056 179.8735 69 L 3.8265 8.5379 117.3183 57.3751 41.3342 179.4261 70 A 4.2691 7.5531 119.3455 54.2795 19.3181 178.4689 71 D 4.6774 8.5184 115.0999 53.9949 41.6842 176.0875 72 H 4.7343 7.9880 120.2012 55.0999 30.5129 174.1542 73 D 4.8650 8.4882 125.5629 53.4612 41.8727 177.4030 74 G 4.2409 7.1561 113.8339 46.1966 0.0000 174.8955 75 V 4.8652 9.3861 126.3050 60.7525 33.8374 173.3799 76 L 5.1972 9.0036 129.7352 53.3842 44.7925 174.8929 77 S 4.9588 9.1107 122.7277 56.7978 65.2649 173.9370 78 L 5.2240 7.9625 125.2378 52.8665 43.0365 177.4052 79 G 3.9035 8.7034 109.6117 45.0439 0.0000 174.8758 80 G 4.0067 8.9512 110.9250 47.9421 0.0000 174.6099 81 G 4.1093 8.1160 106.1714 45.0033 0.0000 174.8936 82 A 4.8002 8.2179 125.5526 54.6012 18.3988 181.1153 83 V 3.7359 7.7538 107.5907 63.7327 31.6406 177.3257 84 T 3.9712 7.5530 109.4951 63.3330 69.3575 175.4032 85 S 4.4694 8.0476 120.3833 57.0404 64.2406 173.1662 86 P 4.3522 0.0000 0.0000 65.6245 31.1586 179.0096 87 G 3.6920 7.9455 105.4349 47.0361 0.0000 175.8650 88 V 3.6139 7.5452 120.1076 65.8854 31.4451 178.2076 89 R 3.9128 7.7237 116.5501 59.1728 29.8983 178.6195 90 A 4.1128 8.1962 120.4270 55.0531 18.1771 179.5826 91 A 3.9913 7.8282 118.2890 55.0403 18.6732 179.4944 92 L 4.1905 7.9114 117.1853 56.0548 41.6387 177.2241 93 A 4.0862 7.0046 121.1247 54.1928 18.5369 176.9585 94 G 3.9901 9.0427 111.2081 45.7816 0.0000 173.5055 95 H 4.4389 8.0552 116.2633 55.4927 29.6657 175.0098 96 T 4.3394 8.3187 117.3908 62.9719 69.3633 174.3651 97 V 4.7568 8.7883 128.3563 61.0712 33.9014 174.5547 98 V 4.5491 9.0280 129.7380 61.9307 32.9990 174.0913 99 Y 5.0642 9.2941 131.1050 56.3817 39.8138 174.7437 100 L 4.6376 8.9176 129.2455 54.0561 41.9011 176.8361 101 E 4.0615 8.6334 124.7828 55.8591 31.0685 175.8002 102 I 4.8270 7.7757 120.8029 59.9426 41.1037 174.3834 103 S 4.4389 9.5185 122.7147 57.6422 64.0530 175.2594 104 A 4.0938 8.6398 122.9360 55.1611 17.9763 179.9862 105 A 3.7946 7.8298 118.8419 55.3254 18.5932 179.3923 106 E 3.9052 8.1694 118.0372 59.0861 29.6938 178.9694 107 G 3.9240 8.4420 107.8004 47.2363 0.0000 176.0303 108 V 3.2236 7.0552 122.0873 64.2311 31.1079 178.6101 109 R 4.0201 7.4011 117.4840 58.6352 29.9235 178.7614 110 R 4.1555 7.7632 117.8557 58.6229 30.1288 177.8114 111 T 4.5399 7.4674 107.2720 62.2297 69.0960 176.1367 112 G 3.8277 7.4282 105.4967 49.4328 0.0000 177.0281 113 G 3.8211 7.9067 102.9413 46.5715 0.0000 176.3683 *116 V 3.7371 8.5778 117.8957 62.4187 32.5487 173.8501 117 R 4.4039 8.0204 123.6051 53.8532 30.8120 175.5921 118 P 4.0465 0.0000 0.0000 65.1816 31.4354 178.0800 119 L 4.0675 7.3549 116.5904 56.5532 42.0646 177.8412 120 L 4.1718 7.7722 117.2190 56.4702 42.2733 176.9268 121 A 3.8831 7.3523 120.4549 53.2028 18.6984 177.4355 122 G 3.8235 8.4594 106.6180 43.9990 0.0000 170.9129 123 P 4.3390 0.0000 0.0000 63.0481 31.9466 175.4473 124 D 4.4331 8.6313 115.0849 55.5585 38.4751 176.5839 125 R 4.0166 7.9319 118.5134 59.0035 30.3261 178.2527 126 A 4.0132 7.9728 120.3438 55.2265 18.4028 179.3714 127 E 3.9405 8.1133 116.4287 59.6042 29.5951 179.5953 128 K 3.9727 8.1147 118.4970 59.4908 32.2210 178.7578 129 Y 3.8828 8.7586 120.3870 60.9252 38.7457 178.3955 130 R 4.0862 8.4002 118.7281 59.2116 30.0635 179.0202 131 A 3.9728 8.1984 120.7349 54.9865 18.3379 179.2472 132 L 3.8193 8.1146 119.2014 58.5890 41.9908 178.9942 133 M 4.0314 8.1379 117.8279 58.4966 31.9876 177.9275 134 A 4.0163 7.9495 119.8753 55.1766 18.6427 179.5101 135 K 4.0334 7.9998 115.6282 59.6392 32.5357 179.3461 136 R 3.9643 8.2486 117.2854 57.3555 30.2639 178.4449 137 A 4.2309 8.2068 121.7348 55.2270 18.2508 177.6996 138 P 4.2046 0.0000 0.0000 65.7916 31.4643 178.9100 139 L 3.8288 7.4615 117.0476 57.9290 41.6534 178.8478 140 Y 3.9497 7.2811 116.5438 61.1926 37.4369 179.1383 141 R 4.1325 7.6215 117.6079 59.0087 30.1514 178.8784 142 R 4.0316 7.4371 117.8254 59.3334 30.2477 178.4601 143 V 3.8672 7.4671 109.3686 61.7874 32.1759 176.5443 144 A 4.4265 7.4367 122.4656 52.3091 18.7436 177.1757 145 T 4.5725 8.5587 111.6799 61.9629 70.7743 174.4673 146 M 4.6888 7.8357 122.9257 54.5556 35.5721 173.1756 147 R 4.9712 8.7537 125.6953 54.6471 32.1064 175.8166 148 V 4.2369 8.5335 124.8112 60.7761 34.0325 174.0339 149 D 4.6248 8.7113 129.0254 54.2849 41.3708 175.4504 150 T 4.3977 8.3953 116.0951 61.8911 69.1694 175.7452 151 N 4.4001 8.9407 121.1189 56.8018 38.5488 176.6047 152 R 4.5351 7.8469 113.0988 55.6816 30.5702 175.6527 153 R 4.5710 7.6553 117.3633 54.1390 32.2779 176.4568 154 N 4.6549 8.4322 120.4366 51.5559 39.7189 174.2443 155 P 4.2896 0.0000 0.0000 66.0494 31.3724 178.9596 156 G 3.7377 8.2052 103.3875 47.9628 0.0000 175.3165 157 A 4.0221 8.2808 122.9656 54.7595 18.3880 179.9753 158 V 3.4998 7.7082 116.8814 66.0537 31.6202 178.3368 159 V 3.6041 8.1675 118.4216 66.2617 31.2785 178.2670 160 R 3.9612 8.1787 117.7504 59.4546 29.6648 178.4398 161 H 4.1021 8.2983 117.3897 59.2389 30.0930 177.2491 162 I 3.8436 7.9354 121.4761 64.3888 36.9584 178.0284 163 L 3.9874 8.2615 120.5247 58.1958 41.2808 179.9883 164 S 4.1709 8.1796 112.8254 60.8578 62.8901 175.6849 165 R 4.4428 7.4940 119.2182 55.7659 30.1451 176.3769 166 L 4.2665 7.4958 125.3846 54.9408 41.8187 176.4213 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 A 8.16 4.63 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 3 P 0.00 4.35 0.00 2.28 2.03 0.00 3.61 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.37 0.00 4 K 9.44 4.32 0.00 1.59 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.81 1.53 7.81 5 A 7.41 4.62 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 0.00 0.00 6 V 8.81 4.74 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 0.86 0.00 0.00 0.91 0.00 0.00 7 L 9.37 5.14 0.00 1.63 1.60 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 V 10.06 4.79 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 0.82 0.00 0.00 1.03 0.00 0.00 9 G 8.12 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 10 L 7.16 4.25 0.00 1.73 1.45 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.52 0.00 2.10 2.02 0.00 3.47 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 1.97 2.09 0.00 12 G 9.02 4.08 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 0.00 13 S 8.07 4.18 0.00 4.15 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 0.00 14 G 8.71 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 0.00 0.00 0.00 0.00 15 K 8.61 3.84 0.00 1.84 1.92 0.00 1.91 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.57 7.81 16 S 7.99 4.15 0.00 3.88 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 17 T 7.78 3.86 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 1.22 0.00 0.00 18 I 8.37 3.89 2.02 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 1.46 0.54 0.92 0.00 0.00 19 G 8.11 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 20 R 7.84 3.87 0.00 2.03 2.12 0.00 3.11 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 21 R 7.98 4.01 0.00 1.93 1.97 0.00 3.18 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 22 L 8.49 3.92 0.00 2.01 1.76 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.48 3.97 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 24 K 8.26 3.82 0.00 1.73 2.01 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 25 A 7.77 4.13 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 26 L 7.92 4.15 0.00 1.63 1.75 0.93 0.86 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 27 G 8.11 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 28 V 7.56 4.45 2.06 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 0.76 0.00 0.00 0.93 0.00 0.00 29 G 8.26 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 0.00 0.00 0.00 30 L 8.39 5.19 0.00 1.65 1.57 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.96 4.51 0.00 1.10 1.26 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.56 5.24 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 3.90 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 1.24 0.00 0.00 34 D 8.31 4.43 0.00 3.01 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 35 V 8.07 3.68 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 1.06 0.00 0.00 0.95 0.00 0.00 36 A 8.32 3.98 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 37 I 8.13 3.58 2.17 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 1.80 1.09 0.98 0.00 0.00 38 E 8.17 4.63 0.00 2.19 2.06 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 2.51 2.52 0.00 39 Q 7.18 4.14 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 40 R 7.91 4.02 0.00 1.81 1.95 0.00 3.19 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 41 T 7.98 4.38 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 1.23 0.00 0.00 42 G 7.98 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 0.00 0.00 0.00 43 R 7.39 4.70 0.00 1.88 1.84 0.00 3.14 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 44 S 8.21 4.83 0.00 4.16 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 45 I 8.43 3.74 1.91 0.00 0.00 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 1.73 1.21 0.67 0.00 0.00 46 A 8.06 4.06 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 47 D 7.96 4.45 0.00 2.85 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 48 I 7.86 3.87 1.98 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 1.81 1.02 1.04 0.00 0.00 49 F 8.34 3.90 0.00 3.27 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 50 A 7.80 4.38 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 51 T 7.46 4.49 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 52 D 8.76 4.63 0.00 2.63 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 53 G 8.12 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 0.00 0.00 0.00 54 E 8.70 3.75 0.00 2.11 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 0.00 2.69 2.80 0.00 55 Q 8.20 3.55 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 56 E 8.03 4.00 0.00 2.06 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 2.34 2.39 0.00 57 F 7.89 4.04 0.00 2.68 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 58 R 8.92 3.85 0.00 1.77 1.92 0.00 3.39 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 59 R 7.64 3.91 0.00 1.98 2.13 0.00 2.74 0.00 0.00 3.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 60 I 7.44 3.50 1.74 0.00 0.00 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 1.33 0.64 0.79 0.00 0.00 61 E 7.89 3.56 0.00 1.16 1.76 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 2.16 2.15 0.00 62 E 8.32 3.82 0.00 2.06 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 2.26 2.29 0.00 63 D 7.92 4.36 0.00 2.94 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 64 V 7.91 3.50 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 0.79 0.00 0.00 0.92 0.00 0.00 65 V 8.25 3.52 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 0.92 0.00 0.00 66 R 8.05 3.86 0.00 1.87 1.95 0.00 3.16 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 1.64 1.74 0.00 67 A 7.76 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 3.96 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 69 L 8.54 3.83 0.00 1.79 1.67 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.55 4.27 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 71 D 8.52 4.68 0.00 2.61 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 72 H 7.99 4.73 0.00 3.04 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.49 4.87 0.00 2.53 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 74 G 7.16 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 0.00 0.00 0.00 0.00 75 V 9.39 4.87 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 1.03 0.00 0.00 0.98 0.00 0.00 76 L 9.00 5.20 0.00 1.83 1.50 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.11 4.96 0.00 3.77 3.76 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 78 L 7.96 5.22 0.00 1.61 1.63 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.70 3.90 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 0.00 0.00 0.00 80 G 8.95 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 0.00 0.00 0.00 81 G 8.12 4.11 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 0.00 0.00 0.00 82 A 8.22 4.80 1.39 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 0.00 0.00 83 V 7.75 3.74 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 0.76 0.00 0.00 0.49 0.00 0.00 84 T 7.55 3.97 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 1.16 0.00 0.00 85 S 8.05 4.47 0.00 3.95 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 86 P 0.00 4.35 0.00 2.13 2.08 0.00 3.57 0.00 0.00 3.91 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0.00 0.00 0.00 0.00 130 R 8.40 4.09 0.00 2.19 2.03 0.00 3.21 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 131 A 8.20 3.97 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 0.00 132 L 8.11 3.82 0.00 1.90 1.57 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 133 M 8.14 4.03 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 134 A 7.95 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.00 4.03 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.46 7.81 136 R 8.25 3.96 0.00 1.91 1.24 0.00 3.18 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 137 A 8.21 4.23 1.45 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 0.00 138 P 0.00 4.20 0.00 2.12 2.11 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 139 L 7.46 3.83 0.00 1.30 1.44 0.80 0.81 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 0.00 140 Y 7.28 3.95 0.00 2.21 1.43 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 0.00 0.00 0.00 0.00 141 R 7.62 4.13 0.00 1.98 2.06 0.00 3.27 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 142 R 7.44 4.03 0.00 1.91 2.03 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 143 V 7.47 3.87 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 0.75 0.00 0.00 1.02 0.00 0.00 144 A 7.44 4.43 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 0.00 145 T 8.56 4.57 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 0.00 146 M 7.84 4.69 0.00 2.11 1.93 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 2.58 2.60 0.00 147 R 8.75 4.97 0.00 1.74 1.77 0.00 3.41 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 148 V 8.53 4.24 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 1.01 0.00 0.00 0.99 0.00 0.00 149 D 8.71 4.62 0.00 2.64 2.49 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 0.00 150 T 8.40 4.40 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 1.22 0.00 0.00 151 N 8.94 4.40 0.00 2.82 2.89 0.00 0.00 6.77 8.13 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 0.00 152 R 7.85 4.54 0.00 1.75 1.89 0.00 3.14 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 1.59 0.00 153 R 7.66 4.57 0.00 1.73 1.80 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 154 N 8.43 4.65 0.00 2.98 2.94 0.00 0.00 6.24 7.76 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 0.00 155 P 0.00 4.29 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 156 G 8.21 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 0.00 0.00 0.00 157 A 8.28 4.02 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 0.00 158 V 7.71 3.50 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 0.98 0.00 0.00 0.93 0.00 0.00 159 V 8.17 3.60 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 1.00 0.00 0.00 0.97 0.00 0.00 160 R 8.18 3.96 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 161 H 8.30 4.10 0.00 3.17 3.55 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.94 3.84 2.02 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 1.55 0.72 0.92 0.00 0.00 163 L 8.26 3.99 0.00 1.80 1.74 0.92 0.84 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 0.00 164 S 8.18 4.17 0.00 3.99 4.14 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 0.00 165 R 7.49 4.44 0.00 1.74 1.94 0.00 2.78 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 166 L 7.50 4.27 0.00 1.73 1.56 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.