NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2391 8.2644 123.5789 52.2835 20.5383 177.6060 3 R 4.2827 7.5768 119.7218 54.1203 29.6812 172.1650 4 R 4.2992 8.2087 127.4046 56.8741 37.7400 176.1620 5 R 4.1048 9.4724 125.3016 57.2472 29.0638 176.8135 6 R 4.4229 9.5141 122.9178 55.8475 32.3907 172.0317 7 A 3.5136 8.2795 120.8449 51.8444 17.7203 177.1254 8 E 4.4712 8.2607 116.6227 54.2854 31.6114 175.5820 9 V 3.7092 8.5251 125.9400 61.9473 30.4432 174.4685 10 R 3.7733 7.9908 119.3292 55.9725 29.8170 176.4522 11 Q 4.4810 8.3970 121.4532 54.7865 30.6028 174.2705 12 L 4.8836 7.9583 121.4484 52.5510 45.3471 176.3700 13 Q 4.2371 8.3027 119.3395 55.1450 29.4127 175.5732 14 P 4.5169 0.0000 0.0000 63.0573 31.6546 174.3068 15 D 4.8917 8.0636 122.1747 53.2250 42.7957 173.5715 16 L 4.2442 8.4632 122.3815 55.9908 42.6934 180.3710 17 V 3.1438 6.2753 116.8859 67.5581 31.5771 177.2011 18 Y 4.2072 6.0082 115.0409 63.8421 38.2488 179.2275 19 G 4.3854 7.4697 107.5732 46.0863 0.0000 174.0526 20 D 4.8334 9.4113 120.2618 52.2765 45.4561 176.6104 21 V 4.1871 8.6376 119.9744 63.8882 31.7646 178.3405 22 L 3.9398 8.2258 120.5051 58.5393 41.7828 179.3987 23 V 3.4602 8.2441 111.3399 64.7926 31.5506 178.1789 24 T 3.8729 7.3662 114.1631 67.5937 68.3890 175.3590 25 A 3.8831 8.6360 121.9924 54.7907 18.1171 179.2605 26 F 3.8317 8.8270 116.7726 61.1118 39.8390 178.0561 27 I 3.3742 8.2928 120.1352 64.7862 36.7294 178.0138 28 N 4.2332 8.1572 115.6442 56.0943 38.3548 177.2837 29 K 3.9665 7.5826 118.5944 59.6044 32.2684 178.9118 30 I 3.5986 7.1498 118.6696 63.3856 37.2662 176.7302 31 M 4.0926 7.0245 118.1804 56.1252 32.7038 175.1361 32 R 4.5107 8.1791 120.5512 55.4949 34.4077 174.2789 33 D 4.4699 9.7763 115.5551 55.2936 38.7776 175.3900 34 G 3.9823 8.7387 110.0269 45.4648 0.0000 176.3266 35 K 4.3405 7.5608 119.9107 56.0693 28.7537 176.9512 36 K 3.8950 7.9885 124.1819 59.8794 32.7294 176.4202 37 N 4.1281 8.4731 116.0058 56.5159 38.4579 175.9147 38 L 3.8259 7.7983 120.0534 57.5626 42.5815 178.9302 39 A 3.7798 8.9548 116.0919 55.6275 17.8965 180.8932 40 A 3.4557 6.0031 121.4020 53.3928 20.0747 179.1125 41 R 3.8228 8.3990 115.6214 60.0008 30.1268 178.9188 42 I 3.5728 8.4817 118.8277 64.6488 37.3875 177.5361 43 F 4.3094 8.0961 121.5283 61.0377 39.3504 176.6563 44 Y 4.1128 8.4091 117.1229 60.5578 37.4630 178.6323 45 D 4.2625 8.2405 119.1774 56.9509 41.4580 177.8285 46 A 4.1955 7.5355 118.1320 53.8812 18.4876 178.1184 47 C 4.0813 7.5819 117.3782 61.1575 31.8364 174.9599 48 K 4.3913 7.4131 116.6936 56.6490 31.3732 177.4950 49 I 4.4837 7.2293 118.1241 60.7091 39.2211 177.7368 50 I 3.6595 7.8493 122.8388 64.4508 36.7805 178.1033 51 Q 4.6388 7.8420 119.1224 57.7682 28.6983 177.9762 52 E 4.1709 7.6145 119.9181 58.0775 29.6104 177.1701 53 K 4.6482 7.4634 115.6257 55.5847 33.5377 175.3951 54 T 4.4942 7.4967 111.5626 61.3940 69.7908 173.9680 55 G 4.0109 8.5313 114.4488 45.6699 0.0000 173.8605 56 Q 4.2075 7.7427 119.9331 54.9287 29.3548 175.7982 57 E 4.0138 8.9049 121.9933 56.2571 30.1391 175.4289 58 P 4.3268 0.0000 0.0000 65.9430 30.9694 177.3579 59 L 4.0820 7.7951 119.5048 57.7266 41.7066 178.1052 60 K 4.1006 8.2859 120.0041 59.7775 32.2718 179.1355 61 V 3.6069 7.6470 118.3465 65.7042 31.3934 177.7952 62 F 4.3609 8.7856 120.7525 61.2245 39.1389 178.5204 63 K 4.1283 7.2091 113.0720 56.3768 32.1488 177.3412 64 Q 4.2421 8.6023 119.3651 57.1416 30.9261 177.0682 65 A 4.1039 8.0134 118.0840 55.6530 18.5328 178.9350 66 V 3.6480 7.9274 117.1759 64.9357 31.4108 177.8940 67 E 3.7845 7.6122 120.2128 59.2465 30.4121 179.1628 68 N 4.5387 7.9909 116.7939 56.2951 38.7988 177.9288 69 V 4.4023 7.6488 117.0685 62.2528 31.3756 174.9750 70 K 4.4778 7.8692 119.8864 53.5079 31.7373 174.6594 71 P 4.6473 0.0000 0.0000 63.2285 31.7690 176.4056 72 R 4.6749 7.9495 113.4499 56.0060 32.2823 175.7080 73 M 5.0750 7.7395 117.4338 54.1751 36.6166 173.6139 74 E 4.8174 8.9507 120.7420 54.9519 34.0337 174.4728 75 V 4.8795 8.3972 112.5126 60.0197 34.1344 176.2614 76 R 4.6125 8.9433 122.2829 54.5010 33.2233 175.1690 77 S 5.1374 8.9233 119.0694 57.3499 63.3218 173.2625 78 R 4.8386 7.7386 128.5527 56.3969 32.3654 173.1877 79 R 4.7439 7.9288 123.6250 55.0740 32.7045 175.3565 80 V 4.3556 8.2261 115.4256 64.3117 36.4734 175.4156 81 G 4.3540 7.9878 103.0020 45.6442 0.0000 171.9298 82 G 3.8925 7.4188 109.4160 44.1637 0.0000 175.5541 83 A 3.9750 8.6516 126.5625 51.8095 18.7349 176.2272 84 N 4.5449 8.3242 116.0088 53.1839 39.7207 174.5050 85 Y 4.6574 9.2768 121.0347 56.4678 41.0273 175.4692 86 Q 4.6275 8.7261 123.2524 54.4651 27.8452 173.8420 87 V 3.8905 7.9546 122.2959 62.0497 33.2772 173.0069 88 P 5.6731 0.0000 0.0000 62.0280 31.0689 175.5606 89 M 4.4701 8.2975 125.2119 53.9541 33.8994 176.2587 90 E 4.6634 8.5788 123.0406 56.1832 29.0555 178.6886 91 V 4.0374 8.1740 125.7818 63.0034 33.4498 173.2978 92 S 4.2906 8.5788 122.9598 57.8762 63.4266 173.7924 93 P 4.1637 0.0000 0.0000 65.9163 31.2787 178.0618 94 R 3.8325 7.9950 119.1720 59.0534 29.8569 177.7704 95 R 3.7559 7.9990 117.8680 59.6486 30.0694 178.6518 96 Q 3.7459 7.9691 118.7848 59.6867 29.4290 178.6218 97 Q 3.9897 8.5001 121.3677 57.8449 28.6522 178.0680 98 S 4.0233 8.1543 115.0314 61.8403 63.2202 177.1328 99 L 3.4167 7.7319 120.9661 57.9566 41.2097 178.8655 100 A 4.5267 7.6517 121.7131 54.4805 17.7071 179.2281 101 L 4.2029 8.6394 115.9543 58.1648 42.1699 179.6704 102 R 3.8319 8.9427 119.0651 59.3909 29.9126 178.0964 103 W 4.7759 8.6826 118.8870 60.9797 29.2540 177.6129 104 L 4.0026 8.5894 117.0417 58.3667 40.8207 179.3375 105 V 3.7216 7.8420 120.5310 66.7364 31.6980 178.6159 106 Q 4.1369 7.8213 116.1045 59.0714 28.9512 178.2482 107 A 4.1739 8.2223 121.4871 54.6405 18.7660 178.6102 108 A 4.6967 8.5914 120.1792 51.6423 17.8167 177.0848 109 N 4.4935 7.3421 117.6354 54.2993 42.1229 175.8090 110 Q 4.4804 8.3433 117.7662 55.7780 30.1453 176.1503 111 R 4.3259 7.6646 114.4370 54.6891 30.6280 174.8322 112 P 4.3524 0.0000 0.0000 65.1828 31.7131 176.9323 113 E 3.8475 8.2478 115.5244 56.4206 29.3456 177.4265 114 R 4.0006 8.7775 123.0445 58.2577 30.1558 177.5873 115 R 4.5408 7.6465 113.8788 54.9008 32.7931 176.3515 116 A 4.0318 8.4487 120.4750 54.6428 18.3777 179.5156 117 A 4.1035 8.0592 118.1096 56.0474 18.4421 178.8787 118 V 3.7307 8.3682 117.9246 62.7201 31.4534 179.5730 119 R 3.6834 7.7865 116.3612 58.5765 30.4191 177.9438 120 I 3.6765 8.1703 118.8625 64.4663 37.0752 178.0108 121 A 3.9478 8.1754 120.6283 56.0064 18.5590 179.0861 122 H 4.1365 8.1452 114.0158 59.2476 28.8746 177.1517 123 E 3.9563 8.3479 120.6189 59.9837 29.4197 178.4526 124 L 4.0199 8.0859 118.3071 58.5983 41.6364 179.0079 125 M 3.9172 8.4661 117.5077 59.0977 32.1333 178.4757 126 D 4.4007 8.9931 118.2853 57.7306 41.1913 179.5618 127 A 4.1955 8.6921 122.2753 54.8235 18.2996 179.4538 128 A 4.2069 8.2242 118.0802 55.0170 18.4337 178.7046 129 E 4.4089 8.1845 114.5773 56.2517 29.9626 176.9543 130 G 3.9637 9.4291 108.1372 45.0694 0.0000 173.1374 131 K 4.5643 8.9978 117.9656 54.9167 36.0614 174.7778 132 G 4.1656 9.1617 106.8586 44.0541 0.0000 175.3164 133 G 3.7877 9.1201 108.6905 48.1883 0.0000 175.1198 134 A 4.0348 8.0882 123.4571 54.7294 18.4080 179.5972 135 V 3.4740 7.6904 115.5201 65.7521 31.6495 177.7405 136 K 3.8692 8.2523 120.3408 59.1657 31.9721 178.4232 137 K 3.5840 8.1168 118.2870 59.4342 32.0858 179.2658 138 K 3.4674 7.6757 119.6962 59.2260 31.5890 178.3492 139 E 4.1941 8.1281 117.9525 58.2443 29.4096 178.4729 140 D 4.3629 8.2258 119.0284 56.7480 41.0875 178.5768 141 V 3.7511 8.1049 119.3258 66.0315 31.2703 177.7172 142 E 4.3649 8.0757 119.6321 58.9894 29.3936 179.7587 143 R 3.7233 7.7864 117.6540 59.4196 30.0499 178.0739 144 M 3.9456 8.3792 118.9187 58.6233 32.0064 178.4436 145 A 4.0016 7.5393 120.0251 54.9511 19.6746 178.3132 146 E 4.5842 7.7824 115.1240 55.0437 27.6675 175.1867 147 A 4.5377 7.5044 126.0506 53.2656 26.3000 177.6307 148 N 4.5560 7.7424 111.2710 53.0612 38.6764 176.9235 149 R 3.9430 7.8480 118.6028 57.6952 29.6216 177.2361 150 A 3.8302 6.5454 121.1192 54.8196 18.8183 178.0473 151 Y 4.2669 6.3356 116.6902 54.7674 37.4103 175.6995 152 A 4.5330 7.5778 125.7696 52.9586 20.4112 178.5487 153 H 4.8291 7.9256 111.4121 56.0542 28.2676 175.9871 154 Y 4.7173 8.3437 119.8646 58.8673 40.8684 179.0874 155 R 3.7617 9.4353 116.7727 55.0431 28.9685 175.8420 156 W 4.0594 9.4094 134.2288 58.5392 31.5498 172.7456 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 8.26 4.24 1.27 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 0.00 0.00 3 R 7.58 4.28 0.00 1.84 1.86 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 4 R 8.21 4.30 0.00 1.77 1.61 0.00 3.25 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 5 R 9.47 4.10 0.00 1.79 1.39 0.00 3.26 0.00 0.00 3.14 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 6 R 9.51 4.42 0.00 1.69 1.81 0.00 3.36 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 0.00 7 A 8.28 3.51 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 8 E 8.26 4.47 0.00 1.90 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 2.18 2.24 0.00 9 V 8.53 3.71 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 0.80 0.00 0.00 0.91 0.00 0.00 10 R 7.99 3.77 0.00 1.94 1.95 0.00 3.06 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 11 Q 8.40 4.48 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 12 L 7.96 4.88 0.00 1.62 1.53 0.93 0.93 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 13 Q 8.30 4.24 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.03 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 14 P 0.00 4.52 0.00 2.27 2.32 0.00 3.84 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 2.11 1.98 0.00 15 D 8.06 4.89 0.00 2.95 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 16 L 8.46 4.24 0.00 1.83 1.54 0.97 0.85 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 17 V 6.28 3.14 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 0.67 0.00 0.00 0.75 0.00 0.00 18 Y 6.01 4.21 0.00 3.17 3.17 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 19 G 7.47 4.39 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 0.00 20 D 9.41 4.83 0.00 2.79 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 21 V 8.64 4.19 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 0.78 0.00 0.00 0.96 0.00 0.00 22 L 8.23 3.94 0.00 1.77 2.05 0.89 0.89 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 23 V 8.24 3.46 1.82 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 1.04 0.00 0.00 1.11 0.00 0.00 24 T 7.37 3.87 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 1.21 0.00 0.00 25 A 8.64 3.88 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 26 F 8.83 3.83 0.00 3.34 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 27 I 8.29 3.37 1.91 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 0.88 -0.01 0.78 0.00 0.00 28 N 8.16 4.23 0.00 2.69 2.82 0.00 0.00 7.14 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 29 K 7.58 3.97 0.00 1.44 1.65 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.36 7.81 30 I 7.15 3.60 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.03 0.83 0.00 0.00 31 M 7.02 4.09 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 32 R 8.18 4.51 0.00 1.82 1.72 0.00 3.25 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 33 D 9.78 4.47 0.00 2.72 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 34 G 8.74 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 35 K 7.56 4.34 0.00 1.79 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 36 K 7.99 3.89 0.00 1.80 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.46 7.81 37 N 8.47 4.13 0.00 2.83 2.73 0.00 0.00 6.75 6.66 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 38 L 7.80 3.83 0.00 1.79 1.83 0.92 1.06 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 A 8.95 3.78 1.27 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 0.00 0.00 40 A 6.00 3.46 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 41 R 8.40 3.82 0.00 1.96 2.26 0.00 3.15 0.00 0.00 3.18 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 42 I 8.48 3.57 2.01 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 1.41 1.27 0.93 0.00 0.00 43 F 8.10 4.31 0.00 2.97 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 44 Y 8.41 4.11 0.00 3.02 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 45 D 8.24 4.26 0.00 2.90 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 4.20 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 47 C 7.58 4.08 0.00 2.14 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 48 K 7.41 4.39 0.00 1.85 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.65 7.81 49 I 7.23 4.48 1.85 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 1.27 1.20 0.94 0.00 0.00 50 I 7.85 3.66 2.00 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 1.50 1.12 0.91 0.00 0.00 51 Q 7.84 4.64 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 52 E 7.61 4.17 0.00 1.82 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 0.00 2.32 2.35 0.00 53 K 7.46 4.65 0.00 1.76 1.75 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.34 7.81 54 T 7.50 4.49 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 1.31 0.00 0.00 55 G 8.53 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 56 Q 7.74 4.21 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 57 E 8.90 4.01 0.00 1.99 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 2.36 2.43 0.00 58 P 0.00 4.33 0.00 2.12 2.32 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.22 0.00 59 L 7.80 4.08 0.00 2.21 1.80 1.29 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.29 4.10 0.00 1.88 1.88 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.50 7.81 61 V 7.65 3.61 2.32 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 0.98 0.00 0.00 1.06 0.00 0.00 62 F 8.79 4.36 0.00 3.02 3.26 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 63 K 7.21 4.13 0.00 1.83 1.74 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.44 7.81 64 Q 8.60 4.24 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 65 A 8.01 4.10 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 66 V 7.93 3.65 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 0.94 0.00 0.00 0.54 0.00 0.00 67 E 7.61 3.78 0.00 1.95 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 2.28 2.51 0.00 68 N 7.99 4.54 0.00 2.92 2.85 0.00 0.00 6.66 7.53 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 69 V 7.65 4.40 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 1.17 0.00 0.00 1.09 0.00 0.00 70 K 7.87 4.48 0.00 1.94 1.83 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.29 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.39 7.81 71 P 0.00 4.65 0.00 2.45 2.61 0.00 4.06 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 72 R 7.95 4.67 0.00 1.77 1.97 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 73 M 7.74 5.08 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 74 E 8.95 4.82 0.00 2.06 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 2.24 2.34 0.00 75 V 8.40 4.88 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 0.84 0.00 0.00 1.01 0.00 0.00 76 R 8.94 4.61 0.00 1.76 1.97 0.00 3.24 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 77 S 8.92 5.14 0.00 3.93 3.87 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 78 R 7.74 4.84 0.00 1.84 1.70 0.00 2.21 0.00 0.00 2.73 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.74 0.00 79 R 7.93 4.74 0.00 1.60 1.73 0.00 3.17 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 1.61 1.56 0.00 80 V 8.23 4.36 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 0.59 0.00 0.00 0.59 0.00 0.00 81 G 7.99 4.35 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 0.00 82 G 7.42 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 0.00 0.00 0.00 83 A 8.65 3.98 1.01 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 84 N 8.32 4.54 0.00 2.54 2.69 0.00 0.00 6.77 7.46 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 85 Y 9.28 4.66 0.00 2.91 2.52 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 86 Q 8.73 4.63 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 87 V 7.95 3.89 2.26 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 1.14 0.00 0.00 1.11 0.00 0.00 88 P 0.00 5.67 0.00 2.15 2.14 0.00 3.48 0.00 0.00 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 89 M 8.30 4.47 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 90 E 8.58 4.66 0.00 2.00 1.81 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 2.34 2.25 0.00 91 V 8.17 4.04 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 0.74 0.00 0.00 0.98 0.00 0.00 92 S 8.58 4.29 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.16 0.00 2.27 2.32 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 94 R 7.99 3.83 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 95 R 8.00 3.76 0.00 1.82 1.84 0.00 3.14 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 96 Q 7.97 3.75 0.00 2.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 97 Q 8.50 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.39 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 98 S 8.15 4.02 0.00 3.79 3.82 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 99 L 7.73 3.42 0.00 1.35 0.33 0.63 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.65 4.53 1.51 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 0.00 101 L 8.64 4.20 0.00 1.89 1.93 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.94 3.83 0.00 1.61 1.82 0.00 2.89 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 103 W 8.68 4.78 0.00 3.81 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 0.00 104 L 8.59 4.00 0.00 2.36 2.05 1.17 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.84 3.72 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 0.74 0.00 0.00 0.49 0.00 0.00 106 Q 7.82 4.14 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 107 A 8.22 4.17 1.44 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 0.00 0.00 108 A 8.59 4.70 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 0.00 109 N 7.34 4.49 0.00 2.98 2.79 0.00 0.00 7.07 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 0.00 110 Q 8.34 4.48 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 111 R 7.66 4.33 0.00 2.22 1.98 0.00 3.12 0.00 0.00 3.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 112 P 0.00 4.35 0.00 2.22 2.23 0.00 3.83 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 2.01 1.96 0.00 113 E 8.25 3.85 0.00 2.09 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 2.33 2.41 0.00 114 R 8.78 4.00 0.00 1.83 2.04 0.00 3.20 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 115 R 7.65 4.54 0.00 2.02 2.04 0.00 2.95 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 116 A 8.45 4.03 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 0.00 117 A 8.06 4.10 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 0.00 118 V 8.37 3.73 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 0.82 0.00 0.00 0.73 0.00 0.00 119 R 7.79 3.68 0.00 2.11 2.00 0.00 3.17 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 120 I 8.17 3.68 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.02 1.19 0.00 0.00 121 A 8.18 3.95 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 0.00 0.00 122 H 8.15 4.14 0.00 3.43 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.35 3.96 0.00 2.26 2.24 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 2.59 2.54 0.00 124 L 8.09 4.02 0.00 2.08 1.75 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.47 3.92 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.65 0.00 126 D 8.99 4.40 0.00 2.97 2.93 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 0.00 127 A 8.69 4.20 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.21 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 0.00 129 E 8.18 4.41 0.00 2.08 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 2.30 2.47 0.00 130 G 9.43 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 0.00 0.00 0.00 131 K 9.00 4.56 0.00 1.83 1.86 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.48 7.81 132 G 9.16 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 0.00 133 G 9.12 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 0.00 0.00 0.00 134 A 8.09 4.03 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 0.00 0.00 135 V 7.69 3.47 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 1.00 0.00 0.00 0.94 0.00 0.00 136 K 8.25 3.87 0.00 1.92 1.78 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.58 7.81 137 K 8.12 3.58 0.00 0.87 1.12 0.00 1.39 0.00 0.00 1.40 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.50 7.81 138 K 7.68 3.47 0.00 1.54 1.82 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.21 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.50 1.85 7.81 139 E 8.13 4.19 0.00 1.99 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 2.26 2.54 0.00 140 D 8.23 4.36 0.00 2.57 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 0.00 141 V 8.10 3.75 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 1.22 0.00 0.00 0.87 0.00 0.00 142 E 8.08 4.36 0.00 2.06 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 2.38 2.38 0.00 143 R 7.79 3.72 0.00 1.99 2.09 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 144 M 8.38 3.95 0.00 2.06 2.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.76 0.00 145 A 7.54 4.00 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 0.00 146 E 7.78 4.58 0.00 2.08 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 2.50 2.39 0.00 147 A 7.50 4.54 1.27 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 0.00 0.00 148 N 7.74 4.56 0.00 2.96 3.07 0.00 0.00 6.76 9.01 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 0.00 149 R 7.85 3.94 0.00 1.94 1.88 0.00 3.39 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 150 A 6.55 3.83 0.77 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 0.00 0.00 151 Y 6.34 4.27 0.00 2.18 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 0.00 152 A 7.58 4.53 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 0.00 153 H 7.93 4.83 0.00 3.34 3.39 0.00 5.49 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.34 4.72 0.00 2.80 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 0.00 155 R 9.44 3.76 0.00 2.08 1.86 0.00 3.55 0.00 0.00 3.37 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 156 W 9.41 4.06 0.00 3.33 3.28 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