NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1656 8.2649 123.5831 51.8655 20.6464 177.3152 *2 I 4.0457 7.4872 114.7280 61.4409 38.1749 175.2928 3 V 4.1336 8.8246 125.0358 64.1624 32.8373 175.9551 4 G 4.7754 7.5777 104.7199 45.9627 0.0000 172.0565 5 L 5.3033 8.4450 123.2620 53.1640 45.3067 175.6431 6 G 4.3114 9.1189 111.9637 45.0177 0.0000 171.1794 7 T 5.2538 8.2816 115.5268 60.6533 71.0070 172.2525 8 D 4.7808 8.9361 124.3538 53.0487 45.2214 173.6232 9 I 5.0510 8.4695 124.1630 59.1556 41.0079 174.1949 10 A 4.8973 9.2483 130.1185 50.0645 22.5972 174.8306 11 E 4.4848 8.9219 123.2943 55.3290 30.1756 177.1023 12 I 3.7346 8.4806 128.8734 64.6500 37.1300 178.2774 13 E 4.1199 8.0824 118.7982 59.5053 29.2858 179.5227 14 R 3.8732 7.8191 117.8394 59.0175 30.0884 179.2409 15 V 3.5625 7.6296 117.7140 65.9028 31.6611 177.7590 16 E 4.0224 8.3361 118.4221 59.4983 29.4558 179.5675 17 K 3.9646 8.2252 118.2863 59.3218 31.9682 179.3459 18 A 3.7788 7.8183 121.0746 54.9029 18.1418 179.7271 19 L 4.0823 8.1471 117.4667 57.8918 41.4889 179.5445 20 A 4.0629 7.9986 119.9307 54.6636 18.2898 179.5824 21 R 4.1412 7.6320 115.4849 58.6322 30.8218 178.3288 22 S 4.7109 8.3566 112.1816 56.0816 64.6939 176.2215 23 G 3.9892 8.7673 111.7395 45.8799 0.0000 176.0962 24 E 3.9938 9.0507 124.6912 59.0209 28.9395 177.5606 25 N 4.3814 7.8343 115.7910 56.1788 39.0325 176.8760 26 F 4.4495 8.2229 121.1748 61.3109 39.6781 176.6979 27 A 3.4017 8.0778 120.5366 55.2084 17.8836 179.6638 28 R 3.8178 8.1469 115.7607 59.1762 30.1397 178.6020 29 R 4.0758 7.4897 117.1924 58.9075 30.0924 178.2518 30 I 3.6604 7.2763 117.9215 61.6300 38.0104 175.9771 31 L 4.8119 7.1659 118.5964 53.1043 43.4538 177.0655 32 T 4.1123 8.7159 113.6197 60.8948 70.7193 175.6704 33 D 4.3336 8.4795 120.7220 57.6690 40.0410 179.3524 34 S 4.1982 8.0032 114.1438 61.4553 63.0170 176.2132 35 E 4.4029 7.9446 120.8307 58.8828 29.1774 178.8718 36 L 3.8939 8.1580 119.4743 58.0028 41.4568 179.4295 37 E 4.0027 7.6379 116.4393 59.6197 29.5859 179.2068 38 Q 4.1233 7.6696 118.5005 58.6738 28.7713 178.3443 39 F 2.7109 8.1768 121.9374 61.3865 39.1517 177.0071 40 H 4.0354 8.2725 114.3534 58.5083 28.5267 177.1168 41 A 4.0987 7.3046 121.1013 52.8204 18.8272 177.8086 42 S 4.1086 6.8761 112.1173 58.1473 62.9094 173.6835 43 K 4.3700 8.4524 125.5869 56.1894 33.0895 176.2670 44 Q 4.6130 8.0050 114.7755 54.6550 28.3916 175.9087 45 Q 3.9368 7.9315 121.1849 59.4846 29.1817 178.7477 46 G 3.7861 8.1561 106.3092 48.0543 0.0000 175.8205 47 R 3.9880 8.0155 120.2100 58.6878 30.3043 178.5329 48 F 4.0688 8.5349 120.6587 61.4984 39.4163 177.0309 49 L 4.1571 8.9277 120.0366 58.0671 41.8798 178.6149 50 A 4.1146 8.4027 120.9704 55.1680 18.2612 179.7765 51 K 3.9441 7.9973 116.4593 59.7383 32.0635 179.8224 52 R 3.8481 7.7813 117.8599 59.0590 29.8659 178.8637 53 F 3.9334 8.7545 120.6511 61.2570 39.3395 177.0840 54 A 4.4532 8.6375 121.5186 54.6187 18.1409 179.4331 55 A 3.8621 8.1548 119.4016 55.3178 18.4313 180.1073 56 K 3.4335 8.1978 117.1888 59.2214 32.1006 179.5363 57 E 3.6419 8.1420 118.8702 59.2308 29.3972 179.1107 58 A 3.8749 8.1347 120.8786 55.1794 18.3742 179.5602 59 A 3.8387 7.8436 119.4775 55.2147 18.2347 180.0688 60 S 4.1856 7.6604 112.7241 61.3148 63.0626 176.9384 61 K 3.9394 7.9582 122.1431 59.1305 31.8106 179.1009 62 A 4.1848 8.0793 120.9587 54.9619 17.9981 179.3627 63 L 4.1251 7.5621 116.1605 55.8748 41.8976 178.2514 64 G 4.0006 8.0233 106.5635 45.2671 0.0000 173.7782 65 T 4.2256 7.6284 108.7896 60.3504 70.7399 175.8689 66 G 3.8276 7.8292 110.5113 45.5624 0.0000 173.5197 67 I 3.8461 7.8023 118.8766 59.6520 35.8658 174.6809 68 A 4.1773 8.3366 127.2132 52.2305 22.5276 175.8996 69 Q 3.5798 9.7347 115.1107 57.2588 26.0534 175.7001 70 G 3.8756 8.4432 104.9253 45.3484 0.0000 174.3434 71 V 3.9861 7.6542 121.3543 62.2636 32.0856 175.1258 72 T 4.8026 8.3123 116.6471 59.2256 71.6221 175.0790 73 F 4.3307 8.5742 119.9813 61.0776 38.9807 177.2950 74 H 4.5951 7.9727 116.0975 57.6804 28.6526 175.8965 75 D 4.4117 8.1202 118.8696 54.4793 40.9507 175.4341 76 F 5.2857 7.7883 118.0365 55.7773 41.6978 174.8275 77 T 4.6981 9.0160 119.9666 61.8068 71.6420 172.8522 78 I 4.9376 8.9399 127.8768 59.9446 39.0047 175.1639 79 S 4.9699 8.8557 121.6208 57.0501 66.6569 172.1982 80 H 5.4675 8.5803 114.7437 54.5115 32.9067 173.7282 81 D 4.7597 8.7406 121.5725 51.9328 41.0256 177.2760 82 K 4.0824 8.5065 117.3111 59.3556 32.5708 177.6000 83 L 4.2906 8.0189 117.9488 54.6413 41.9692 177.3102 84 G 4.0114 8.1132 107.2960 44.4180 0.0000 173.8388 85 K 4.2469 8.1865 122.6043 55.6416 33.2015 174.2358 86 P 4.8280 0.0000 0.0000 62.7543 32.3982 175.5130 87 L 4.8585 9.0666 121.7111 52.8149 45.6663 175.0597 88 L 5.0941 8.5472 123.8930 53.4050 44.3454 175.2758 89 I 4.5842 8.8736 127.4271 59.5417 39.9005 174.8249 90 L 5.0181 8.5163 126.4325 53.7913 43.7163 175.6455 91 S 4.3678 8.5587 115.9689 57.1656 67.1550 174.2422 92 G 3.7166 8.7519 107.6215 46.3986 0.0000 175.2513 93 Q 3.8759 8.6406 118.2047 59.1843 28.9626 178.4667 94 A 3.8464 7.9966 120.9950 55.2662 18.3104 179.3729 95 A 3.8684 7.8043 118.9080 54.8802 18.3562 179.6251 96 E 3.8129 7.8642 117.6017 59.5005 29.7332 178.9777 97 L 3.9617 8.1369 119.0721 57.6894 41.6440 179.3827 98 A 3.9748 8.2004 120.8053 55.3907 18.3940 179.8719 99 S 4.0778 8.2343 113.6976 61.8741 62.6389 177.0233 100 Q 4.0341 7.9999 119.8884 58.7125 28.5736 178.0247 101 L 4.2152 7.9503 117.3316 54.4240 41.9805 176.7985 102 Q 3.5065 7.8368 116.8431 56.4370 26.7748 174.0602 103 V 3.8389 7.8836 118.0090 63.3617 31.8081 175.0417 104 E 4.6997 9.1265 124.6193 56.0080 32.0353 175.8355 105 N 5.0491 8.1300 117.5514 51.2569 42.2610 173.2641 106 I 4.9187 8.3503 123.6019 59.7706 40.0250 174.5123 107 H 5.0108 9.3171 124.2943 53.8413 31.8835 172.7972 108 L 5.1942 8.4619 123.3736 53.4949 45.3418 175.2021 109 S 4.8167 9.0730 119.1812 56.6781 66.2088 172.5437 110 I 5.0216 8.3089 124.9153 59.7536 40.4906 174.7661 111 S 4.6936 8.4643 118.3642 56.7772 65.5559 172.4501 112 D 5.1549 8.4406 124.2670 51.6412 42.6216 174.7978 113 E 4.8552 8.7635 118.9271 54.9973 31.9316 175.1603 114 R 3.9703 8.0625 113.9033 59.5635 29.5487 177.1155 115 H 4.5883 8.5039 113.5696 55.4877 30.6567 173.4391 116 Y 5.3545 7.8949 115.8310 56.0722 42.1884 174.3997 117 A 5.4013 9.1744 123.3790 49.1412 23.1080 174.8408 *119 A 4.5738 8.2241 118.9459 52.4769 20.4940 176.0210 120 T 5.1238 8.5280 115.4118 61.7790 73.1005 173.3755 121 V 4.9876 8.8825 124.3403 61.2053 35.2836 174.1387 122 I 5.0389 8.8485 127.5308 59.5005 40.8425 174.1865 123 L 5.1570 8.7628 126.3230 52.9993 44.1517 175.1561 124 E 5.0348 9.4541 124.3913 54.1578 33.4688 175.8527 125 R 4.3123 8.5214 120.6284 56.3285 29.6991 175.4951 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 0 A 8.26 4.17 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 *2 I 7.49 4.05 1.87 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 1.30 0.59 0.98 0.00 0.00 3 V 8.82 4.13 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 0.74 0.00 0.00 0.98 0.00 0.00 4 G 7.58 4.78 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 0.00 0.00 0.00 5 L 8.44 5.30 0.00 1.57 1.47 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.12 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.28 5.25 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 1.19 0.00 0.00 8 D 8.94 4.78 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.47 5.05 1.87 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.29 0.91 0.00 0.00 10 A 9.25 4.90 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 11 E 8.92 4.48 0.00 2.16 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 2.24 2.03 0.00 12 I 8.48 3.73 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 1.54 0.44 0.91 0.00 0.00 13 E 8.08 4.12 0.00 1.94 1.96 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 2.37 2.37 0.00 14 R 7.82 3.87 0.00 1.93 1.88 0.00 3.23 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 15 V 7.63 3.56 2.25 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 1.26 0.00 0.00 0.89 0.00 0.00 16 E 8.34 4.02 0.00 2.19 1.99 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 2.36 2.52 0.00 17 K 8.23 3.96 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.57 7.81 18 A 7.82 3.78 0.55 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 0.00 0.00 19 L 8.15 4.08 0.00 1.99 1.86 1.19 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.00 4.06 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 21 R 7.63 4.14 0.00 1.75 1.94 0.00 3.04 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 22 S 8.36 4.71 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.77 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 24 E 9.05 3.99 0.00 2.18 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 2.43 2.52 0.00 25 N 7.83 4.38 0.00 2.94 2.93 0.00 0.00 6.98 8.74 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 26 F 8.22 4.45 0.00 3.01 3.22 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 27 A 8.08 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.15 3.82 0.00 1.85 2.01 0.00 3.29 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 29 R 7.49 4.08 0.00 1.96 1.99 0.00 3.34 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 30 I 7.28 3.66 1.43 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.58 0.00 0.00 31 L 7.17 4.81 0.00 1.45 1.51 0.48 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.72 4.11 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 1.22 0.00 0.00 33 D 8.48 4.33 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.00 4.20 0.00 4.07 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 0.00 35 E 7.94 4.40 0.00 2.28 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 0.00 2.41 2.40 0.00 36 L 8.16 3.89 0.00 1.86 1.63 0.94 0.94 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 37 E 7.64 4.00 0.00 2.14 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 2.51 2.52 0.00 38 Q 7.67 4.12 0.00 2.65 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 39 F 8.18 2.71 0.00 2.65 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 40 H 8.27 4.04 0.00 3.24 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.30 4.10 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 42 S 6.88 4.11 0.00 3.61 3.49 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 43 K 8.45 4.37 0.00 1.67 1.73 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.41 7.81 44 Q 8.01 4.61 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 45 Q 7.93 3.94 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 1.48 2.11 0.00 46 G 8.16 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 47 R 8.02 3.99 0.00 2.06 2.04 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.53 4.07 0.00 3.22 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.93 4.16 0.00 2.16 1.84 0.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.40 4.11 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 51 K 8.00 3.94 0.00 1.90 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 52 R 7.78 3.85 0.00 1.98 1.96 0.00 3.39 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 53 F 8.75 3.93 0.00 3.10 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 54 A 8.64 4.45 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 55 A 8.15 3.86 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 56 K 8.20 3.43 0.00 1.86 1.81 0.00 1.85 0.00 0.00 2.17 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.69 7.81 57 E 8.14 3.64 0.00 1.92 1.84 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 2.01 1.65 0.00 58 A 8.13 3.87 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 59 A 7.84 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.66 4.19 0.00 4.11 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 61 K 7.96 3.94 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.53 7.81 62 A 8.08 4.18 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 63 L 7.56 4.13 0.00 1.87 1.77 1.09 1.35 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 64 G 8.02 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 0.00 0.00 0.00 65 T 7.63 4.23 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 66 G 7.83 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 67 I 7.80 3.85 1.64 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.19 0.59 0.00 0.00 68 A 8.34 4.18 1.24 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 69 Q 9.73 3.58 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.44 3.88 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 0.00 0.00 0.00 71 V 7.65 3.99 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 1.03 0.00 0.00 0.90 0.00 0.00 72 T 8.31 4.80 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 1.18 0.00 0.00 73 F 8.57 4.33 0.00 3.40 3.38 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 74 H 7.97 4.60 0.00 3.06 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.12 4.41 0.00 2.02 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 0.00 0.00 0.00 0.00 76 F 7.79 5.29 0.00 2.92 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 77 T 9.02 4.70 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 1.24 0.00 0.00 78 I 8.94 4.94 1.94 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 1.24 0.40 0.83 0.00 0.00 79 S 8.86 4.97 0.00 3.85 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 80 H 8.58 5.47 0.00 2.98 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.74 4.76 0.00 2.93 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 82 K 8.51 4.08 0.00 1.90 2.00 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 L 8.02 4.29 0.00 1.79 1.75 0.93 0.83 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 84 G 8.11 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 85 K 8.19 4.25 0.00 1.87 2.06 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.46 7.81 86 P 0.00 4.83 0.00 2.05 1.98 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 87 L 9.07 4.86 0.00 1.50 1.53 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.55 5.09 0.00 1.60 1.53 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.87 4.58 1.88 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 1.23 0.82 0.90 0.00 0.00 90 L 8.52 5.02 0.00 1.47 1.45 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.56 4.37 0.00 3.75 3.88 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 92 G 8.75 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.64 3.88 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 94 A 8.00 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.80 3.87 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 96 E 7.86 3.81 0.00 2.07 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 2.28 2.37 0.00 97 L 8.14 3.96 0.00 1.89 1.69 0.93 1.03 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 98 A 8.20 3.97 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 99 S 8.23 4.08 0.00 4.01 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 0.00 100 Q 8.00 4.03 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 101 L 7.95 4.22 0.00 1.86 1.71 0.92 0.97 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 0.00 102 Q 7.84 3.51 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 103 V 7.88 3.84 2.15 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 0.78 0.00 0.00 0.97 0.00 0.00 104 E 9.13 4.70 0.00 1.94 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 2.19 2.24 0.00 105 N 8.13 5.05 0.00 2.71 2.69 0.00 0.00 6.94 7.40 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 0.00 106 I 8.35 4.92 1.84 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 1.35 0.60 0.92 0.00 0.00 107 H 9.32 5.01 0.00 3.02 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.46 5.19 0.00 1.55 1.45 0.94 0.80 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 0.00 109 S 9.07 4.82 0.00 3.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.31 5.02 1.87 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 1.21 0.77 0.90 0.00 0.00 111 S 8.46 4.69 0.00 3.80 3.64 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 0.00 112 D 8.44 5.15 0.00 2.94 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 0.00 113 E 8.76 4.86 0.00 2.03 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 2.28 2.37 0.00 114 R 8.06 3.97 0.00 1.65 2.03 0.00 3.01 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 115 H 8.50 4.59 0.00 2.93 2.68 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.89 5.35 0.00 2.99 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 0.00 117 A 9.17 5.40 1.29 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 0.00 0.00 *119 A 8.22 4.57 1.29 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 0.00 0.00 120 T 8.53 5.12 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 1.25 0.00 0.00 121 V 8.88 4.99 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 1.02 0.00 0.00 0.89 0.00 0.00 122 I 8.85 5.04 1.90 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 1.23 0.68 0.93 0.00 0.00 123 L 8.76 5.16 0.00 1.59 1.56 0.99 0.52 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 0.00 124 E 9.45 5.03 0.00 2.00 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 2.20 2.23 0.00 125 R 8.52 4.31 0.00 2.11 1.84 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.