NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2925 8.2649 123.5831 52.3364 19.2653 176.6102 4 D 4.5338 8.5009 117.5068 54.3173 42.0342 172.2702 5 E 4.5669 8.5797 120.3976 55.7735 32.0978 175.4700 6 L 4.6840 8.8223 125.5462 53.5465 44.2461 175.1286 7 V 4.9230 8.7059 126.6733 61.1898 34.1970 174.2074 8 F 5.2817 8.3674 122.1388 55.7181 42.2410 172.8267 9 F 5.0725 9.2409 115.9320 55.6518 42.5495 174.8362 10 V 4.6961 8.6570 122.7317 61.4911 34.1332 175.3617 11 N 4.3651 10.3837 127.3266 54.3607 36.6235 175.4218 12 G 4.0347 8.6108 105.9060 44.9271 0.0000 173.5547 13 K 4.5286 7.8483 121.4523 54.2778 33.6375 174.8705 14 K 3.5085 8.5089 127.8408 55.9408 33.1220 175.7373 15 V 4.0037 8.2606 128.1768 61.0093 33.4627 174.2637 16 V 4.3127 8.2180 128.1182 61.2480 33.1205 174.4142 17 E 4.5444 9.1536 131.0995 54.5994 30.1526 176.6756 18 K 4.0916 8.8396 127.5917 58.4444 32.8651 177.2644 19 N 5.0373 8.1924 115.6261 51.5485 39.2196 175.0224 20 A 3.9651 8.2105 120.0116 52.9095 19.2905 177.1811 21 D 4.6233 8.7328 122.7627 52.7473 41.9954 175.1198 22 P 4.2744 0.0000 0.0000 65.7756 31.4180 177.0605 23 E 4.2280 7.9993 115.4262 57.6266 30.0712 176.8938 24 T 4.1802 7.9410 118.1230 63.2916 69.2882 174.4240 25 T 4.7849 8.2754 116.8689 60.7905 71.7320 175.6604 26 L 4.0106 8.3472 123.7591 57.9636 42.0394 179.2244 27 L 3.9226 7.9181 119.9373 58.0863 42.1360 178.5544 28 A 4.0268 7.7234 120.7649 55.4679 18.2113 178.9963 29 Y 3.8127 8.2439 117.7137 60.7968 38.8769 178.0605 30 L 4.0965 8.7399 120.2127 58.1638 41.5724 179.8708 31 R 4.0064 8.0435 116.4271 58.2842 30.2078 177.7104 32 R 4.4633 8.0399 115.0625 55.8863 32.4532 176.7502 33 K 4.0318 7.8988 117.3411 57.9265 32.8011 177.0376 34 L 4.1953 7.8587 115.5681 54.3077 41.9418 177.1346 35 G 3.8454 8.0544 106.1818 46.5644 0.0000 174.2931 36 L 4.5358 8.0885 121.7387 52.8266 41.2868 176.4285 37 R 4.4670 8.1839 118.8723 55.6770 30.7008 178.0477 38 G 3.6177 7.7093 107.4747 48.3237 0.0000 174.6611 39 T 4.1246 7.7764 117.0261 63.2544 68.8771 174.6814 40 K 4.5468 8.1183 124.9722 54.5605 35.1310 175.2907 41 L 4.6071 8.6191 123.7570 53.7692 42.6710 176.0024 42 G 4.2607 9.0073 114.7077 46.3514 0.0000 172.7358 43 C 4.6508 8.0618 110.6578 57.3694 34.8813 175.5403 44 G 3.9861 8.4976 106.1960 45.8762 0.0000 173.2158 45 E 4.5480 7.9114 114.5778 55.4459 30.3813 176.7521 46 G 3.9760 8.7055 107.1688 45.6627 0.0000 174.5647 47 G 3.8917 7.8673 107.7194 46.2967 0.0000 174.5245 48 C 4.5025 8.1304 113.3958 57.1294 31.1072 174.7089 49 G 4.2971 8.5130 107.1589 45.5394 0.0000 175.4196 50 A 4.0005 8.0490 125.1031 54.4614 19.0041 179.2711 51 C 4.6997 7.9601 109.7705 58.5842 31.1512 173.6658 52 T 4.5308 7.6053 117.1040 64.5019 68.4530 174.1280 53 V 4.5439 8.6829 118.7977 59.6805 36.3134 173.9016 54 M 4.8838 8.7106 121.7733 54.1091 34.2851 174.5707 55 L 5.0844 8.2657 125.3567 52.9996 44.9404 175.6093 56 S 5.7330 9.0712 118.0066 55.7876 67.0454 173.1943 57 K 4.8834 8.2786 120.5455 55.8244 36.2536 173.9016 58 Y 4.5500 8.6069 123.5275 57.2031 40.0553 173.7274 59 D 4.2065 8.5033 130.5448 54.4225 41.4829 177.6062 60 R 4.1893 8.5480 128.6663 54.2923 27.0594 174.3100 61 L 5.3145 7.0533 132.4742 56.1391 40.9222 175.2603 *62 Q 4.1734 8.6629 116.9397 54.8318 28.9358 181.2685 63 D 4.3585 8.5808 115.1382 53.0276 42.0253 175.4194 64 K 3.6503 8.5662 106.9129 57.2782 30.8729 173.5298 65 I 4.7138 8.2331 126.4934 60.6757 38.2169 175.2368 66 I 4.5641 8.8828 120.3730 59.3386 40.5959 174.0974 67 H 5.5218 8.7886 121.0050 54.1059 31.4247 172.8129 68 F 5.1886 8.3100 117.6561 55.0205 41.7243 174.1865 69 S 5.0148 8.8133 114.1338 58.4793 64.3974 172.8490 70 A 4.7722 8.6898 121.4708 50.9791 23.4518 175.0598 71 N 4.9845 8.7006 116.6146 51.8732 39.6275 176.2359 72 A 4.2058 8.7557 127.4549 54.7484 19.0242 179.2960 73 C 4.2085 8.4056 109.4055 60.3727 29.7916 174.2534 74 L 4.4639 7.8218 117.6964 54.1135 42.6078 175.9456 75 A 4.4035 7.7086 123.3427 49.9947 19.1453 175.0901 76 P 4.7731 0.0000 0.0000 62.6203 32.2785 178.1695 77 I 3.4932 8.3255 116.0719 63.5930 37.5628 177.7660 78 C 4.2631 7.8482 117.5994 61.6991 28.1709 174.2011 79 T 4.1795 7.5623 108.7082 62.4891 69.0857 175.2070 80 L 4.3295 7.5546 122.4029 54.5379 41.7504 175.2855 81 H 4.4906 8.0185 119.4174 58.1162 29.6837 174.3392 82 H 4.3339 9.3421 124.2792 56.8328 26.7307 174.6418 83 V 4.6660 7.9513 118.5244 61.1667 34.3463 174.1905 84 A 5.2224 8.8763 128.6972 50.3542 21.0290 176.0544 85 V 4.3865 9.3309 123.6937 62.9856 33.4910 175.0504 86 T 5.1634 9.0266 123.5675 62.0370 72.0501 173.3363 87 T 5.0152 8.7385 116.0650 59.2352 71.9000 175.5078 88 V 3.4904 8.3492 120.2997 64.5909 31.2991 178.0972 89 E 4.0125 7.5942 117.2811 58.2168 29.7064 178.2665 90 G 3.6464 8.1098 108.8000 47.2424 0.0000 174.2119 91 I 4.0560 7.7991 111.6627 59.3995 38.8897 175.8102 92 G 4.2096 7.2306 111.1234 45.7383 0.0000 171.0654 93 S 4.5935 7.5549 112.0724 57.2952 65.6064 176.3776 94 T 4.1008 8.5532 111.4161 63.4518 68.4911 174.9317 95 K 4.4104 7.8996 121.3547 57.0190 34.1481 177.0326 96 T 4.3502 8.1759 104.2710 61.2279 69.3846 175.1209 97 R 4.6463 8.6233 116.8016 53.5576 34.2220 173.3634 98 L 4.3849 8.4000 124.3765 54.8003 42.5840 176.5907 99 H 4.4335 9.7567 122.5528 55.2617 30.7233 174.4623 100 P 4.3233 0.0000 0.0000 66.0462 31.1362 178.8972 101 V 3.9609 8.1716 116.2915 66.4211 31.4839 178.0134 102 Q 4.1372 8.3815 117.7915 58.9118 28.4447 178.3914 103 E 4.0153 8.2583 120.0000 59.1113 29.7404 178.8480 104 R 3.9326 8.4621 118.3681 59.4710 30.2724 178.9453 105 I 3.3622 7.9694 118.1209 63.6733 37.5098 177.7998 106 A 3.8950 7.8467 121.3810 55.3016 18.1290 179.9175 107 K 3.9265 8.0298 115.3646 59.2057 32.4807 179.3610 108 S 4.2141 8.2272 114.9156 59.1908 62.5264 174.4259 109 H 3.9811 7.5363 117.3449 56.9803 25.9573 175.6014 110 G 3.7611 7.8722 106.3885 45.6142 0.0000 174.3361 111 S 4.4889 7.6982 114.7604 56.3978 64.3930 172.2245 112 Q 4.4557 8.1123 127.3471 57.2600 30.1976 176.3075 113 C 4.1847 8.1075 119.7934 59.7521 30.9474 175.5480 114 G 4.2993 8.3437 108.2649 45.9043 0.0000 174.6989 115 F 4.0376 8.0312 120.9636 60.2949 39.8662 175.3981 116 C 4.4737 7.9641 113.9391 59.2603 30.7989 175.7101 117 T 3.8731 7.7335 118.1270 66.1276 67.8997 174.3247 118 P 4.3053 0.0000 0.0000 65.7606 31.3366 178.8937 119 G 3.6239 7.9695 103.8069 47.5959 0.0000 175.7281 120 I 3.8491 7.8963 122.1618 64.2902 37.1004 178.2951 121 V 3.7338 8.3784 119.4238 66.8643 31.2619 178.0524 122 M 4.1266 8.2480 117.7865 58.0769 31.6091 179.0406 123 S 4.1348 8.4405 115.8735 61.7628 63.0452 176.2863 124 M 3.7406 8.3065 120.8602 58.6968 31.9135 177.4949 125 Y 3.7364 8.1802 119.8853 61.0817 38.8733 178.3875 126 T 3.8766 8.0525 116.5952 66.1062 68.3725 176.6510 127 L 3.8077 7.3607 122.5579 58.2365 42.0137 179.1475 128 L 3.5325 7.3541 118.5151 56.9510 41.5006 179.3753 129 R 3.8759 7.4607 117.0140 58.0311 30.0015 177.6131 130 N 4.8819 7.2827 114.6920 53.2818 40.5023 174.7931 131 Q 4.3856 8.6109 122.8336 52.7376 29.2542 173.2162 132 P 4.3629 0.0000 0.0000 64.3713 31.8501 176.6958 133 E 4.6087 7.6417 116.4196 53.6025 29.8238 173.3450 134 P 4.6859 0.0000 0.0000 62.1319 32.9336 175.6943 135 T 4.7345 8.9569 110.7441 60.4084 71.3876 176.0125 136 V 3.7306 8.2112 120.3018 65.8255 31.0541 178.1026 137 E 4.0040 8.0634 118.2406 59.4450 29.2745 178.7930 138 E 3.9291 7.8728 117.2376 59.3101 29.9301 178.9260 139 I 3.6401 7.6290 119.8616 64.6673 37.2583 177.9271 140 E 4.1377 7.9210 118.6766 59.6187 29.1084 178.6648 141 D 4.3572 7.8905 118.0963 57.0430 40.5483 178.3790 142 A 3.8079 7.2959 120.3230 54.2574 18.0498 178.1037 143 F 5.0485 7.5972 116.7926 58.1865 39.2781 178.6106 144 Q 4.0352 7.8855 122.0604 57.5342 27.7054 180.9802 145 G 4.1566 8.1265 104.5544 45.5073 0.0000 172.1448 146 N 5.5503 7.9854 116.5898 51.3929 41.4082 173.9980 147 L 5.0228 8.7933 124.3819 53.6012 43.9577 176.0488 148 C 4.6381 9.3520 122.2800 58.2445 33.8998 173.8154 149 R 4.2659 8.8284 125.4555 57.2075 30.7123 176.6660 150 C 4.3494 7.8928 114.4097 62.2961 28.9557 174.9453 151 T 3.9091 7.6259 107.7904 62.2581 68.9153 175.8113 152 G 3.7920 7.9916 107.7653 45.4640 0.0000 173.8006 153 Y 3.9900 7.8002 122.1703 59.1157 38.0249 171.6636 154 R 3.9534 8.2326 119.0967 59.3014 29.9303 176.5435 155 P 4.2512 0.0000 0.0000 65.5434 31.4060 178.5099 156 I 3.3383 7.5639 119.2555 64.2696 36.9343 178.1460 157 L 4.2366 7.5975 118.1140 57.8346 41.6799 179.0297 158 Q 4.1989 8.4492 119.7881 59.1786 28.8018 178.3320 159 G 4.2542 7.7611 107.1210 47.3796 0.0000 174.8680 160 F 5.3828 8.4035 120.9436 59.3452 39.1666 178.6219 161 R 4.1275 8.2590 121.5708 61.7394 29.0063 183.8294 162 T 4.1473 8.0179 111.4500 64.0979 67.3698 174.7207 163 F 4.4523 8.1089 117.3476 58.9018 39.4031 175.3406 164 A 5.1984 8.4127 126.1879 51.6648 18.6343 176.9393 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 3 A 8.26 4.29 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 4 D 8.50 4.53 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.58 4.57 0.00 1.87 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 0.00 2.29 2.31 0.00 6 L 8.82 4.68 0.00 1.79 1.74 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.71 4.92 2.16 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 0.94 0.00 0.00 0.97 0.00 0.00 8 F 8.37 5.28 0.00 3.45 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 9 F 9.24 5.07 0.00 3.13 3.02 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 0.00 0.00 0.00 0.00 10 V 8.66 4.70 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 1.06 0.00 0.00 1.12 0.00 0.00 11 N 10.38 4.37 0.00 2.82 2.84 0.00 0.00 7.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.61 4.03 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 0.00 0.00 0.00 13 K 7.85 4.53 0.00 1.82 1.85 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.32 7.81 14 K 8.51 3.51 0.00 1.48 1.51 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.13 0.76 7.81 15 V 8.26 4.00 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 0.00 0.00 0.43 0.00 0.00 0.64 0.00 0.00 16 V 8.22 4.31 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 0.85 0.00 0.00 0.82 0.00 0.00 17 E 9.15 4.54 0.00 2.17 1.88 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 2.36 2.47 0.00 18 K 8.84 4.09 0.00 1.80 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.46 7.81 19 N 8.19 5.04 0.00 2.71 2.77 0.00 0.00 6.92 6.65 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 20 A 8.21 3.97 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 21 D 8.73 4.62 0.00 2.73 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 22 P 0.00 4.27 0.00 2.08 2.13 0.00 3.74 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 2.04 2.14 0.00 23 E 8.00 4.23 0.00 2.06 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 0.00 2.34 2.28 0.00 24 T 7.94 4.18 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 1.42 0.00 0.00 25 T 8.28 4.78 4.44 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 1.27 0.00 0.00 26 L 8.35 4.01 0.00 1.73 1.87 0.91 0.63 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 27 L 7.92 3.92 0.00 1.94 1.68 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.72 4.03 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 29 Y 8.24 3.81 0.00 3.34 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 30 L 8.74 4.10 0.00 1.88 1.76 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.04 4.01 0.00 1.88 1.99 0.00 3.31 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 32 R 8.04 4.46 0.00 1.95 1.90 0.00 3.15 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 33 K 7.90 4.03 0.00 1.03 0.82 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.03 0.63 7.81 34 L 7.86 4.20 0.00 1.86 1.70 1.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.05 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 36 L 8.09 4.54 0.00 1.77 1.62 0.95 0.79 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 37 R 8.18 4.47 0.00 1.79 1.95 0.00 3.20 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 38 G 7.71 3.62 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 0.00 0.00 0.00 39 T 7.78 4.12 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 1.23 0.00 0.00 40 K 8.12 4.55 0.00 1.31 1.26 0.00 1.25 0.00 0.00 1.56 0.00 0.00 2.56 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.13 0.55 7.81 41 L 8.62 4.61 0.00 1.68 1.66 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.01 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 0.00 0.00 0.00 43 C 8.06 4.65 0.00 3.10 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 44 G 8.50 3.99 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 0.00 45 E 7.91 4.55 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 2.38 2.24 0.00 46 G 8.71 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 47 G 7.87 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 48 C 8.13 4.50 0.00 3.17 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 49 G 8.51 4.30 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 0.00 50 A 8.05 4.00 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 51 C 7.96 4.70 0.00 3.03 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 52 T 7.61 4.53 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 1.25 0.00 0.00 53 V 8.68 4.54 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 0.68 0.00 0.00 0.90 0.00 0.00 54 M 8.71 4.88 0.00 2.08 1.94 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 2.55 2.42 0.00 55 L 8.27 5.08 0.00 0.34 1.15 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 S 9.07 5.73 0.00 3.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.28 4.88 0.00 1.88 1.95 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.64 1.52 7.81 58 Y 8.61 4.55 0.00 3.12 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 59 D 8.50 4.21 0.00 2.51 2.45 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 60 R 8.55 4.19 0.00 1.87 1.74 0.00 3.48 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 61 L 7.05 5.31 0.00 1.77 1.53 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 *62 Q 8.66 4.17 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.00 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 63 D 8.58 4.36 0.00 2.79 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 64 K 8.57 3.65 0.00 1.91 1.79 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.49 7.81 65 I 8.23 4.71 1.89 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 1.56 0.64 0.83 0.00 0.00 66 I 8.88 4.56 1.92 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 1.49 1.00 0.86 0.00 0.00 67 H 8.79 5.52 0.00 3.01 3.16 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 68 F 8.31 5.19 0.00 3.12 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 69 S 8.81 5.01 0.00 3.94 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 70 A 8.69 4.77 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 71 N 8.70 4.98 0.00 2.69 2.80 0.00 0.00 6.71 7.67 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 72 A 8.76 4.21 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 73 C 8.41 4.21 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.82 4.46 0.00 1.66 1.72 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.71 4.40 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 76 P 0.00 4.77 0.00 2.15 1.96 0.00 3.58 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 77 I 8.33 3.49 1.43 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 1.45 0.68 0.73 0.00 0.00 78 C 7.85 4.26 0.00 2.95 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 79 T 7.56 4.18 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 1.19 0.00 0.00 80 L 7.55 4.33 0.00 1.21 1.16 0.42 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.02 4.49 0.00 3.07 3.27 0.00 6.01 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 9.34 4.33 0.00 3.31 3.50 0.00 5.87 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 83 V 7.95 4.67 2.22 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 0.99 0.00 0.00 1.04 0.00 0.00 84 A 8.88 5.22 1.26 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 0.00 0.00 85 V 9.33 4.39 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 0.80 0.00 0.00 1.03 0.00 0.00 86 T 9.03 5.16 4.18 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 0.99 0.00 0.00 87 T 8.74 5.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 88 V 8.35 3.49 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 0.78 0.00 0.00 0.89 0.00 0.00 89 E 7.59 4.01 0.00 1.95 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 2.28 2.38 0.00 90 G 8.11 3.65 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 0.00 0.00 0.00 91 I 7.80 4.06 1.37 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 -0.12 0.00 0.00 92 G 7.23 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 0.00 0.00 0.00 0.00 93 S 7.55 4.59 0.00 3.93 3.91 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 94 T 8.55 4.10 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 95 K 7.90 4.41 0.00 1.78 1.90 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.36 7.81 96 T 8.18 4.35 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 97 R 8.62 4.65 0.00 1.81 1.75 0.00 3.20 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 98 L 8.40 4.38 0.00 1.72 1.64 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 99 H 9.76 4.43 0.00 3.44 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.32 0.00 2.36 2.30 0.00 3.10 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 101 V 8.17 3.96 2.28 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 1.16 0.00 0.00 0.76 0.00 0.00 102 Q 8.38 4.14 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 103 E 8.26 4.02 0.00 2.10 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 0.00 2.40 2.42 0.00 104 R 8.46 3.93 0.00 2.45 2.17 0.00 3.19 0.00 0.00 3.08 7.55 0.00 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0.00 0.00 2.25 2.27 0.00 113 C 8.11 4.18 0.00 3.10 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 0.00 114 G 8.34 4.30 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 0.00 115 F 8.03 4.04 0.00 2.98 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 C 7.96 4.47 0.00 3.24 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 0.00 117 T 7.73 3.87 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 118 P 0.00 4.31 0.00 2.06 2.08 0.00 3.41 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 119 G 7.97 3.62 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 0.00 0.00 0.00 120 I 7.90 3.85 1.89 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 1.26 1.10 0.84 0.00 0.00 121 V 8.38 3.73 2.33 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 1.15 0.00 0.00 1.12 0.00 0.00 122 M 8.25 4.13 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.82 0.00 123 S 8.44 4.13 0.00 4.39 3.99 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 0.00 124 M 8.31 3.74 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.81 0.00 125 Y 8.18 3.74 0.00 3.11 3.04 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 0.00 0.00 0.00 126 T 8.05 3.88 4.34 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 1.23 0.00 0.00 127 L 7.36 3.81 0.00 1.48 1.60 0.80 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.35 3.53 0.00 1.27 1.47 0.21 0.57 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 0.00 129 R 7.46 3.88 0.00 1.55 1.76 0.00 3.02 0.00 0.00 2.70 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.40 0.00 130 N 7.28 4.88 0.00 2.89 2.82 0.00 0.00 6.67 7.57 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 0.00 131 Q 8.61 4.39 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 132 P 0.00 4.36 0.00 2.06 2.10 0.00 3.64 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 2.00 2.20 0.00 133 E 7.64 4.61 0.00 1.91 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 2.22 2.29 0.00 134 P 0.00 4.69 0.00 2.17 1.93 0.00 3.87 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 135 T 8.96 4.73 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 1.25 0.00 0.00 136 V 8.21 3.73 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 1.11 0.00 0.00 0.98 0.00 0.00 137 E 8.06 4.00 0.00 2.09 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 2.40 2.46 0.00 138 E 7.87 3.93 0.00 2.05 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 2.31 2.32 0.00 139 I 7.63 3.64 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 1.16 0.00 0.00 140 E 7.92 4.14 0.00 2.15 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 2.36 2.48 0.00 141 D 7.89 4.36 0.00 2.81 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 0.00 142 A 7.30 3.81 0.48 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 0.00 143 F 7.60 5.05 0.00 3.20 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 0.00 144 Q 7.89 4.04 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 145 G 8.13 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 0.00 0.00 0.00 146 N 7.99 5.55 0.00 2.91 2.85 0.00 0.00 6.80 7.55 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 0.00 147 L 8.79 5.02 0.00 1.61 1.71 1.01 1.03 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 0.00 148 C 9.35 4.64 0.00 2.73 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 0.00 0.00 0.00 0.00 149 R 8.83 4.27 0.00 1.78 1.90 0.00 3.32 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 150 C 7.89 4.35 0.00 2.92 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 0.00 151 T 7.63 3.91 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 1.14 0.00 0.00 152 G 7.99 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 0.00 153 Y 7.80 3.99 0.00 3.28 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 0.00 154 R 8.23 3.95 0.00 1.88 1.98 0.00 3.35 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 155 P 0.00 4.25 0.00 2.35 2.27 0.00 3.62 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 2.00 2.01 0.00 156 I 7.56 3.34 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 0.52 0.00 0.00 157 L 7.60 4.24 0.00 1.74 1.87 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 8.45 4.20 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 159 G 7.76 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 0.00 0.00 0.00 0.00 160 F 8.40 5.38 0.00 3.30 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 0.00 161 R 8.26 4.13 0.00 1.81 1.95 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 162 T 8.02 4.15 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 163 F 8.11 4.45 0.00 3.28 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 0.00 164 A 8.41 5.20 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 * Residues marked with a * may have inaccurate shift predictions.