NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3850 8.1814 115.3955 58.3082 65.4461 175.3652 3 G 3.4144 7.9293 107.7929 47.6015 0.0000 174.6797 4 F 4.5427 8.3808 121.8570 59.9433 39.4559 176.0224 5 L 3.9045 7.9321 118.1695 57.8435 41.3682 179.1249 6 E 3.9732 8.4527 119.3234 59.2841 29.6099 178.8251 7 Q 4.0356 8.1097 118.1284 58.9833 28.7805 179.0598 8 R 3.9254 8.3504 119.4456 59.1562 30.0544 178.8464 9 L 4.1394 8.1440 120.2749 58.0224 42.1162 178.9185 10 G 3.8007 8.4311 106.1463 48.3459 0.0000 175.0044 11 H 4.2787 8.7325 121.3108 58.9038 29.6859 176.6294 12 C 4.1524 8.4085 119.7145 62.8108 31.4699 175.3945 13 L 4.2133 7.9809 118.9917 57.8246 41.5185 179.4135 14 R 4.1764 8.1787 118.0624 59.1342 30.0190 179.7720 15 Q 4.0429 8.5895 116.8257 56.7693 28.7549 177.6712 *17 A 4.3172 8.0095 123.3987 51.6417 20.6249 179.5497 18 E 4.0725 8.3460 115.9536 59.1832 29.7545 178.1069 19 K 4.1044 7.9241 116.1929 57.3533 32.4169 178.0423 20 G 3.8509 7.7469 105.4031 45.1880 0.0000 172.9060 21 L 4.2009 7.6604 121.5271 54.3347 42.2114 176.5345 22 E 4.1997 8.7952 125.9230 58.4999 30.2724 176.5823 23 A 4.8900 7.4334 118.5946 50.5264 22.9632 174.9341 24 L 4.9767 8.8577 122.5628 53.1770 44.2541 174.7753 25 L 4.9916 9.2652 128.9880 53.6951 43.9703 174.9365 26 V 4.8801 8.9735 127.5067 61.4288 33.4798 175.6979 27 T 4.6361 9.3944 116.2120 61.2100 69.9974 173.0384 28 H 4.6870 8.1541 120.6221 54.2960 30.4034 174.8955 29 L 4.0122 9.0931 128.3001 58.1391 41.9479 178.9895 30 T 3.9777 8.0856 108.8200 65.0843 68.3884 175.6015 31 N 4.5625 8.5121 119.1233 55.6461 38.6394 177.6687 32 S 4.1936 8.0924 115.3141 61.4599 63.0680 175.7236 33 Y 4.3742 8.5831 123.6122 60.8149 38.3402 177.4809 34 Y 3.9807 7.8740 118.7392 60.6737 38.9647 177.6421 35 L 4.2230 7.9920 119.0866 56.4619 42.0497 177.6730 36 T 4.2433 7.8017 106.1511 60.0784 70.2503 175.2994 37 G 3.6324 8.2233 109.8163 45.3931 0.0000 173.5796 38 F 4.4301 8.1073 122.2655 58.0775 40.1021 175.2465 39 S 4.0507 7.6441 123.1630 60.3858 63.4572 175.5114 40 G 3.0038 5.5030 107.1664 45.4585 0.0000 173.3284 41 T 4.1282 8.3267 109.2736 62.3614 69.4776 175.5105 42 A 4.5834 8.0577 124.5002 51.1011 17.4736 175.3991 43 A 4.7754 8.0955 120.3622 50.9376 22.9038 175.3099 44 T 4.4877 9.0519 119.7804 61.7903 71.1750 173.4156 45 V 4.7448 8.8732 127.6055 61.0427 34.0286 174.0261 46 L 5.2308 8.8894 129.6508 53.3478 44.7715 174.7792 47 I 5.1491 8.8191 127.2399 59.7742 39.9486 174.8446 48 T 5.0865 9.0391 116.0797 59.3080 72.2218 174.5417 49 A 3.9028 8.8450 123.8283 54.6428 18.2316 178.5472 50 K 4.4489 7.4636 112.4930 56.1042 34.4307 176.4093 51 R 4.5210 8.2510 119.1707 54.1689 32.7675 174.0037 52 R 4.8783 8.2756 122.3920 54.4477 33.6664 174.1652 53 V 4.9533 8.8874 124.2052 60.8296 35.1149 173.8212 54 L 5.0405 9.2271 129.8167 53.3744 44.5606 174.7108 55 I 4.9304 8.8798 127.7740 60.0209 39.5266 174.8975 56 T 5.0414 8.8445 120.8758 60.9039 72.0230 171.9093 57 D 5.3415 8.6655 123.4706 51.5419 41.8376 177.5162 58 S 5.0599 8.9546 112.1192 59.8340 63.0806 175.6786 59 R 3.9424 7.9204 117.3379 58.3767 29.4474 176.8457 60 Y 5.0426 8.3616 114.6076 57.8431 40.4213 177.5058 61 T 3.9299 8.3519 117.1645 66.7975 68.5000 175.1601 62 L 3.9221 8.0884 121.2221 58.4303 42.0656 178.3691 63 L 3.9755 8.1669 118.9735 58.4149 42.0157 178.5573 64 A 4.1927 8.3232 120.2885 55.4216 18.1198 179.7837 65 K 3.9787 8.0087 115.4560 59.5177 32.1701 179.1490 66 A 4.3310 8.0772 120.4099 54.0119 18.3973 178.2601 67 S 4.5828 7.8317 108.3659 57.6073 64.3232 173.5544 68 V 4.3166 7.9476 120.9783 61.4357 32.6344 174.6883 69 E 4.3979 8.8716 127.2210 56.4204 30.5402 176.4021 70 G 3.9207 8.9897 110.4293 46.0377 0.0000 172.7566 71 F 4.8089 8.0473 116.5110 55.2634 42.1122 174.7367 72 D 4.7514 9.2050 123.0217 54.0446 42.3259 175.2985 73 I 4.9510 8.2968 122.4925 59.7039 39.5716 175.0517 74 I 4.5514 8.5278 126.7267 59.4193 40.9232 173.9868 75 E 4.8185 8.7034 128.2789 55.5635 30.8271 174.7233 76 S 4.7535 8.8318 119.3684 57.8139 65.8820 175.0884 77 R 4.5670 8.8123 123.7785 56.2246 30.8710 176.9730 78 T 4.6895 7.7869 108.6929 59.0279 68.3146 172.9625 79 P 4.3080 0.0000 0.0000 66.4780 31.9380 178.6721 80 L 3.9745 7.9018 118.4938 57.4866 41.5704 179.3242 81 K 3.9704 7.8782 118.8001 59.1319 31.8842 179.6086 82 V 3.7725 7.6233 119.4781 65.4395 31.5217 177.7899 83 V 3.5527 8.0556 118.1648 66.2287 31.2923 177.6363 84 A 3.9480 8.0606 120.1609 55.4111 17.9273 179.5355 85 E 3.9204 8.0624 116.7906 59.3536 29.5552 179.4804 86 L 4.0624 8.0563 119.0961 57.9214 41.7556 179.6930 87 L 4.0069 8.1827 119.1057 57.5052 41.4680 179.0532 88 E 3.8723 8.3194 119.0991 59.4131 29.4081 178.7233 89 A 4.0201 8.1501 119.5961 54.8639 18.5323 178.3890 90 D 4.5639 8.0099 114.0986 53.2876 41.7517 176.3293 91 Q 3.4880 7.5898 117.2346 56.9585 26.7396 173.6165 92 I 4.3473 7.7248 117.8071 60.2711 38.7504 175.9743 93 D 4.8472 8.5882 123.6087 54.7435 42.5345 175.7511 94 C 5.3733 7.9474 115.4114 57.7666 32.2241 173.1586 95 L 4.7021 9.1005 125.0484 53.1381 44.8740 175.7652 96 G 4.2444 9.2326 114.7794 46.1106 0.0000 172.3082 97 F 5.6092 8.5441 116.8386 54.7792 42.3780 173.4796 98 E 4.5066 8.5579 119.7289 56.4258 30.0010 177.3397 99 D 4.6693 8.9405 122.8412 54.3576 40.3728 177.4690 100 Q 4.3973 8.0360 117.2967 56.2730 29.2506 176.3577 101 V 3.8898 7.6251 112.2059 61.1265 32.4045 176.7691 102 S 4.5489 8.4319 116.8555 58.0848 65.2197 175.0268 103 F 4.0571 8.9420 125.0628 61.6084 39.1433 177.6353 104 S 4.7198 8.2217 114.8177 60.7535 62.6323 176.1278 105 F 3.9603 8.0642 123.5728 61.1309 39.2416 175.8872 106 Y 3.8781 7.8659 117.8238 60.9828 38.6409 177.8253 107 Q 3.8258 8.1321 118.6804 58.8060 28.6763 179.1805 108 A 4.0634 7.3265 119.3195 52.5425 18.0358 178.9704 *110 Q 3.7001 8.0835 123.2759 57.4484 30.7584 177.3146 111 A 3.8912 7.6122 119.4808 55.0495 18.7108 178.4733 112 E 3.9334 8.1575 116.0434 59.3907 30.2868 178.0740 113 L 4.3234 6.9426 116.6323 53.6028 41.0983 177.3117 114 S 4.1905 7.5955 112.8207 59.9426 63.5855 175.4070 115 G 3.9716 8.7931 110.7813 45.5223 0.0000 173.2689 116 I 4.3538 7.5201 120.9424 60.6378 38.4095 175.8029 117 T 4.2661 9.0451 124.5899 63.1884 69.3069 173.7435 118 L 5.0981 8.5884 126.8475 53.6335 43.7594 176.7610 119 L 4.7792 9.2729 122.4379 52.3615 44.2510 175.3847 120 A 2.8408 8.5163 125.5612 51.7218 19.1480 176.2865 121 Q 4.5228 8.6924 121.5535 54.0844 31.8478 174.9914 122 S 4.9278 8.2193 118.4744 55.9184 63.2728 173.5607 123 G 4.0492 8.5676 118.4819 47.4588 0.0000 174.6124 124 F 3.8248 8.5624 121.9208 61.1012 39.8075 175.6761 125 V 3.8280 7.8442 117.2156 66.0509 31.0206 177.5116 126 E 3.7164 8.0448 117.8119 59.7373 29.0604 178.6161 127 H 4.4178 7.8835 114.3639 57.6587 28.8628 177.2476 128 L 4.0258 7.5679 120.5002 57.0426 41.4652 177.1171 129 R 4.1727 7.3249 121.5756 56.4011 29.9958 176.2110 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 S 8.18 4.39 0.00 4.01 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 3 G 7.93 3.41 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 0.00 4 F 8.38 4.54 0.00 2.99 2.87 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 5 L 7.93 3.90 0.00 1.80 1.71 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.45 3.97 0.00 2.03 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 2.32 2.35 0.00 7 Q 8.11 4.04 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 8 R 8.35 3.93 0.00 1.75 1.69 0.00 2.68 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.56 0.00 9 L 8.14 4.14 0.00 1.87 1.78 0.98 0.79 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 10 G 8.43 3.80 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 0.00 0.00 0.00 11 H 8.73 4.28 0.00 3.31 3.57 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.41 4.15 0.00 3.23 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 13 L 7.98 4.21 0.00 1.87 1.74 0.90 0.87 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 14 R 8.18 4.18 0.00 2.09 2.03 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 15 Q 8.59 4.04 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.38 0.00 0.00 0.00 0.00 0.00 1.67 2.38 0.00 *17 A 8.01 4.32 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 18 E 8.35 4.07 0.00 1.99 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 2.35 2.30 0.00 19 K 7.92 4.10 0.00 1.90 1.93 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.86 7.81 20 G 7.75 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 21 L 7.66 4.20 0.00 1.60 1.56 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.80 4.20 0.00 2.00 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 2.30 2.30 0.00 23 A 7.43 4.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.86 4.98 0.00 1.45 1.35 0.58 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.27 4.99 0.00 1.86 1.69 1.06 0.91 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 26 V 8.97 4.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.01 0.00 0.00 27 T 9.39 4.64 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 28 H 8.15 4.69 0.00 3.27 3.28 0.00 5.86 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.09 4.01 0.00 1.75 1.71 0.94 0.83 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 30 T 8.09 3.98 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 1.22 0.00 0.00 31 N 8.51 4.56 0.00 2.94 2.97 0.00 0.00 6.75 7.16 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 32 S 8.09 4.19 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.58 4.37 0.00 3.07 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.87 3.98 0.00 3.14 3.21 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 35 L 7.99 4.22 0.00 1.74 1.83 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.80 4.24 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 37 G 8.22 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 4.43 0.00 2.85 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 39 S 7.64 4.05 0.00 3.55 3.58 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 40 G 5.50 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 0.00 0.00 0.00 41 T 8.33 4.13 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 1.19 0.00 0.00 42 A 8.06 4.58 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.10 4.78 1.08 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 44 T 9.05 4.49 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 1.28 0.00 0.00 45 V 8.87 4.74 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 1.23 0.00 0.00 0.78 0.00 0.00 46 L 8.89 5.23 0.00 1.82 1.51 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.82 5.15 1.89 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.04 0.92 0.00 0.00 48 T 9.04 5.09 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 1.20 0.00 0.00 49 A 8.85 3.90 1.31 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 0.00 0.00 0.00 50 K 7.46 4.45 0.00 1.55 1.82 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.46 7.81 51 R 8.25 4.52 0.00 1.79 1.69 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 1.49 1.58 0.00 52 R 8.28 4.88 0.00 1.29 0.66 0.00 2.85 0.00 0.00 2.96 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.24 0.00 53 V 8.89 4.95 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 0.98 0.00 0.00 0.94 0.00 0.00 54 L 9.23 5.04 0.00 1.43 1.31 0.26 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.88 4.93 1.88 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 1.12 0.66 0.92 0.00 0.00 56 T 8.84 5.04 4.06 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 1.28 0.00 0.00 57 D 8.67 5.34 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.95 5.06 0.00 4.00 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 0.00 59 R 7.92 3.94 0.00 1.71 1.94 0.00 2.37 0.00 0.00 2.90 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 60 Y 8.36 5.04 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 61 T 8.35 3.93 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 1.24 0.00 0.00 62 L 8.09 3.92 0.00 1.79 1.74 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.17 3.98 0.00 1.93 2.09 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.32 4.19 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 65 K 8.01 3.98 0.00 2.08 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.48 7.81 66 A 8.08 4.33 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 67 S 7.83 4.58 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.95 4.32 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 0.79 0.00 0.00 1.01 0.00 0.00 69 E 8.87 4.40 0.00 2.04 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 2.33 0.00 70 G 8.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.05 4.81 0.00 2.85 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 72 D 9.21 4.75 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 4.95 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.85 0.89 0.00 0.00 74 I 8.53 4.55 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.92 0.00 0.00 75 E 8.70 4.82 0.00 2.07 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 2.35 2.38 0.00 76 S 8.83 4.75 0.00 3.86 3.66 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 0.00 0.00 0.00 0.00 77 R 8.81 4.57 0.00 1.83 1.93 0.00 3.21 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 78 T 7.79 4.69 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 1.21 0.00 0.00 79 P 0.00 4.31 0.00 2.34 2.39 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 80 L 7.90 3.97 0.00 1.62 1.63 0.45 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.88 3.97 0.00 1.87 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.41 7.81 82 V 7.62 3.77 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 1.17 0.00 0.00 0.99 0.00 0.00 83 V 8.06 3.55 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 1.04 0.00 0.00 0.98 0.00 0.00 84 A 8.06 3.95 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 85 E 8.06 3.92 0.00 2.18 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 2.31 2.64 0.00 86 L 8.06 4.06 0.00 1.85 1.71 0.93 0.47 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 87 L 8.18 4.01 0.00 1.66 1.89 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.32 3.87 0.00 2.15 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 0.00 2.29 2.37 0.00 89 A 8.15 4.02 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 90 D 8.01 4.56 0.00 2.77 2.70 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 91 Q 7.59 3.49 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 92 I 7.72 4.35 1.87 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 1.45 0.69 0.93 0.00 0.00 93 D 8.59 4.85 0.00 2.59 2.69 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 0.00 0.00 0.00 0.00 94 C 7.95 5.37 0.00 2.80 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 95 L 9.10 4.70 0.00 1.72 1.52 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 96 G 9.23 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 97 F 8.54 5.61 0.00 3.27 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 98 E 8.56 4.51 0.00 2.16 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 2.38 2.51 0.00 99 D 8.94 4.67 0.00 2.70 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 0.00 100 Q 8.04 4.40 0.00 1.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 101 V 7.63 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 0.75 0.00 0.00 1.40 0.00 0.00 102 S 8.43 4.55 0.00 4.18 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 0.00 103 F 8.94 4.06 0.00 3.26 3.21 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 0.00 104 S 8.22 4.72 0.00 4.15 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 0.00 105 F 8.06 3.96 0.00 3.07 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 0.00 106 Y 7.87 3.88 0.00 2.81 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 0.00 107 Q 8.13 3.83 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 1.93 0.00 108 A 7.33 4.06 1.08 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 *110 Q 8.08 3.70 0.00 1.26 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 111 A 7.61 3.89 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 0.00 112 E 8.16 3.93 0.00 1.83 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 2.22 2.23 0.00 113 L 6.94 4.32 0.00 1.67 1.53 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.60 4.19 0.00 3.93 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 0.00 115 G 8.79 3.97 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 0.00 116 I 7.52 4.35 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 1.31 0.84 0.91 0.00 0.00 117 T 9.05 4.27 4.38 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 1.26 0.00 0.00 118 L 8.59 5.10 0.00 1.77 1.83 0.46 0.90 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 0.00 119 L 9.27 4.78 0.00 1.57 1.57 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.52 2.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.69 4.52 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 122 S 8.22 4.93 0.00 3.93 3.80 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 0.00 123 G 8.57 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 0.00 124 F 8.56 3.82 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.84 3.83 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 1.07 0.00 0.00 1.13 0.00 0.00 126 E 8.04 3.72 0.00 1.88 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 2.30 2.34 0.00 127 H 7.88 4.42 0.00 2.91 3.17 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.57 4.03 0.00 1.76 1.82 1.09 0.32 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 0.00 129 R 7.32 4.17 0.00 1.73 1.81 0.00 3.13 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 0.00 * Residues marked with a * may have inaccurate shift predictions.