NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.6415 7.9548 120.3807 62.7932 32.4841 173.9778 3 W 5.0301 8.2783 127.1676 54.1626 32.8962 172.7123 4 A 4.8743 9.4769 122.5480 50.4634 21.9054 175.1790 5 I 4.5273 8.2376 122.1449 59.4386 40.0673 175.1188 6 R 4.8245 8.7330 123.2755 54.5969 32.4382 175.4476 7 G 4.4243 8.9688 109.7762 44.5701 0.0000 171.3708 8 A 5.2207 8.3729 121.9303 51.1017 23.3301 175.2558 9 T 5.1865 8.8691 114.6762 61.6187 71.6912 171.8957 10 T 5.2891 8.3846 112.2468 59.9840 72.0191 173.3450 11 V 4.4951 8.3090 114.8362 59.7764 34.2095 176.5545 12 S 4.3573 9.4295 119.1758 60.8313 63.1104 174.8102 13 D 4.8585 7.4687 117.5148 52.4379 44.8990 175.6525 14 N 4.6945 8.5233 121.1962 52.8372 37.5728 174.7120 15 T 4.7063 7.2786 111.2937 58.8501 73.5078 174.6363 16 A 3.9629 8.4863 124.7825 55.8609 18.4320 180.0291 17 D 4.2732 8.0553 116.6549 57.3299 40.8572 178.5856 18 E 3.9391 7.7870 119.5896 59.0178 29.7219 178.6331 19 I 3.6449 7.7078 119.8912 64.4563 37.2389 178.5987 20 V 3.4970 8.0642 118.8970 65.9088 31.5211 177.8769 21 A 3.9636 8.2224 120.8145 55.3601 18.1563 179.5447 22 E 3.9722 8.6506 117.5013 59.6068 29.4284 179.7883 23 T 3.8854 7.9850 115.9420 66.6878 68.4692 176.4510 24 Q 3.8884 8.1125 121.4239 59.1477 28.9910 178.4897 25 K 3.9241 7.9483 119.2221 59.2142 31.8180 179.1697 26 L 3.9265 7.4408 119.4358 58.2025 42.1823 178.6102 27 L 4.2193 8.0799 117.9904 57.8089 41.8126 179.4552 28 K 4.1707 8.3039 118.7241 59.1391 32.0344 179.9550 29 E 3.8918 8.2952 118.9112 56.1415 29.5136 178.5410 *31 A 4.3633 7.9878 121.0145 51.9637 20.9513 179.7111 32 E 4.0527 8.2668 115.1462 59.6676 29.6066 179.9690 33 K 4.0267 8.0505 116.4769 58.7866 32.1212 177.6220 34 N 4.7522 8.1413 113.2963 52.1490 39.2902 174.3167 35 G 3.8578 7.8158 105.9673 46.8350 0.0000 173.9165 36 L 4.8921 8.4222 118.2842 52.7478 44.1790 176.1548 37 E 4.8086 8.9293 120.1781 53.9416 33.0904 176.5892 38 E 2.8323 8.5882 120.8255 59.3060 29.3310 178.0604 39 D 4.6228 7.7358 114.2943 53.7815 39.9100 176.4373 40 D 4.4440 8.2704 121.4253 55.8056 41.4006 176.0755 41 I 4.3807 7.1220 120.6680 60.2740 37.9918 175.6701 42 I 4.1317 8.7632 127.6040 63.9078 37.5434 176.4517 43 S 4.8440 7.5026 112.0510 57.5742 65.5013 174.6663 44 I 4.4754 8.5873 121.6299 59.7280 40.8522 174.2103 45 I 4.5420 8.1521 127.4178 59.4918 39.7326 174.4695 46 F 5.4324 8.8654 124.8727 55.8574 42.1141 174.4407 47 T 4.9254 8.8869 112.2516 59.9880 72.0491 173.1942 48 V 5.0541 8.1011 115.7413 59.4639 35.7130 175.3611 49 T 4.3506 8.3224 113.2988 61.4710 69.4879 175.7421 50 K 3.9395 8.7368 122.1155 59.3005 32.2097 178.1133 51 D 4.4896 8.0797 116.4658 54.3630 39.7221 175.7356 52 L 4.8571 7.8679 121.5914 53.3389 43.0456 176.2743 53 D 4.6600 9.1495 120.6296 53.5593 40.8545 176.1321 54 A 4.1830 8.2261 124.1857 54.8815 19.0501 178.0789 55 A 4.6298 7.3265 115.0546 50.9720 22.1197 175.8388 56 F 4.0782 8.9454 119.6592 56.8662 39.5833 175.2039 57 P 4.1532 0.0000 0.0000 64.9566 31.1494 178.3624 58 A 3.4738 7.5908 119.3029 54.6191 18.0766 179.1357 59 I 3.5622 7.6053 118.4408 64.7461 36.9278 178.0177 60 A 4.0237 7.5164 119.6209 55.2686 18.3644 179.2867 61 A 3.9098 7.7301 118.6555 55.1920 18.3797 179.6684 62 R 3.9481 7.7337 116.1604 59.3459 30.1719 179.2594 63 N 4.5599 8.1272 114.8038 53.2511 38.5482 175.9145 *65 G 3.9415 7.8729 106.8844 45.1110 0.0000 175.0543 66 W 5.1417 8.6626 121.4506 55.2026 27.2049 176.4109 67 T 4.4586 7.8118 106.3389 61.8263 69.4880 176.2887 68 S 4.7078 8.6290 117.5990 58.5591 63.4181 173.5997 69 T 4.5140 7.5743 116.9323 61.0695 70.8253 173.7171 70 A 4.1568 8.5829 127.7692 52.5066 19.4450 176.3994 71 L 5.7542 8.2575 121.9362 52.1425 45.6573 175.4145 *73 C 5.0333 8.3387 115.5450 60.3180 29.1337 173.7053 *75 N 4.7265 8.5293 117.6892 52.8702 39.4616 174.0674 76 E 4.1262 8.8331 123.1295 55.6948 30.6170 176.3643 77 I 3.3857 8.3933 124.1438 61.6021 38.2914 174.7839 78 D 4.4316 8.6016 127.1777 53.5062 40.5327 175.7752 79 V 4.2218 7.9670 127.1235 59.8876 32.7019 172.7451 80 P 4.2998 0.0000 0.0000 64.6082 31.4643 177.2078 81 G 3.9401 9.0440 111.2665 45.1139 0.0000 173.4534 82 S 4.4391 7.4479 114.0287 56.5314 64.2346 173.7080 83 L 3.8350 8.4220 122.1433 55.8776 41.8341 176.8461 84 E 4.2629 8.6732 125.0278 56.1204 30.8539 175.7986 85 K 3.7967 9.0725 117.3414 58.0881 30.6857 174.4331 86 C 5.2957 8.0997 117.7737 57.6838 34.4595 172.6295 87 I 5.0448 8.6870 126.7756 59.6947 39.5197 174.9028 88 R 5.1039 9.0189 124.9252 54.5740 34.3139 174.7487 89 V 5.0518 8.2527 120.4589 60.3740 36.1038 173.3789 *92 H 4.9993 8.4942 116.5747 55.8586 30.3071 173.2977 93 V 4.8427 8.6176 115.1867 59.5413 35.9898 174.4420 94 N 4.8228 9.1577 122.9593 53.1065 38.8738 174.7079 95 T 4.6497 8.2688 117.1570 60.8147 70.5778 172.7825 96 D 4.7206 8.5926 123.5673 53.3122 40.1465 176.6112 97 K 4.4812 7.6539 119.4147 55.5750 33.5843 176.1049 98 D 4.7835 8.2543 120.5070 53.3061 42.1652 177.5293 99 K 2.7472 7.9089 123.1118 59.2718 31.9331 179.0784 100 K 3.8922 7.6718 116.5079 58.9523 32.0191 177.1621 101 D 4.6577 7.8409 116.6465 54.0435 41.2055 176.8097 102 I 3.8415 7.2445 121.0445 61.1099 37.4787 175.7286 103 K 4.4162 8.9583 124.9943 54.9855 32.8401 175.5156 104 H 4.7584 8.6129 121.4363 54.9241 30.3106 175.0781 105 V 4.3876 8.3260 122.0940 61.3275 33.8192 173.8744 106 Y 5.0400 8.7306 124.7967 56.3935 40.6277 174.7399 107 L 4.8491 8.8652 124.2950 52.4474 45.5110 178.4376 108 N 3.9739 8.9907 118.0919 54.7792 36.8834 178.8129 109 G 3.7525 9.5716 113.8557 48.0344 0.0000 173.9707 110 A 4.3812 8.0269 121.9765 53.3975 18.2234 179.2193 111 K 4.2905 7.6306 115.8390 59.0744 32.1590 179.1276 112 V 3.6481 7.1944 110.4143 62.5145 31.4896 176.1093 113 L 3.8863 8.1469 123.6981 54.7518 41.9207 173.8927 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 V 7.95 4.64 1.73 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 0.82 0.00 0.00 0.82 0.00 0.00 3 W 8.28 5.03 0.00 3.50 2.99 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 4 A 9.48 4.87 1.06 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 0.00 0.00 5 I 8.24 4.53 1.85 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 1.39 0.72 0.85 0.00 0.00 6 R 8.73 4.82 0.00 1.76 1.75 0.00 3.30 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 7 G 8.97 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.37 5.22 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 9 T 8.87 5.19 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 1.27 0.00 0.00 10 T 8.38 5.29 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 1.32 0.00 0.00 11 V 8.31 4.50 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 0.73 0.00 0.00 0.99 0.00 0.00 12 S 9.43 4.36 0.00 3.96 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 13 D 7.47 4.86 0.00 2.72 2.50 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 14 N 8.52 4.69 0.00 2.75 2.75 0.00 0.00 6.81 7.70 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 15 T 7.28 4.71 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 A 8.49 3.96 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 17 D 8.06 4.27 0.00 2.77 2.72 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 18 E 7.79 3.94 0.00 2.07 1.92 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 2.30 2.34 0.00 19 I 7.71 3.64 1.98 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 1.40 0.80 0.88 0.00 0.00 20 V 8.06 3.50 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 0.96 0.00 0.00 0.94 0.00 0.00 21 A 8.22 3.96 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 22 E 8.65 3.97 0.00 2.00 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 2.53 2.65 0.00 23 T 7.99 3.89 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 1.32 0.00 0.00 24 Q 8.11 3.89 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 25 K 7.95 3.92 0.00 2.03 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.66 7.81 26 L 7.44 3.93 0.00 1.68 1.93 0.89 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.08 4.22 0.00 1.66 1.64 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.30 4.17 0.00 1.93 1.83 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 29 E 8.30 3.89 0.00 2.04 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 2.31 2.34 0.00 *31 A 7.99 4.36 1.69 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 0.00 0.00 32 E 8.27 4.05 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 33 K 8.05 4.03 0.00 1.90 1.89 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.43 7.81 34 N 8.14 4.75 0.00 2.70 2.83 0.00 0.00 6.90 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 35 G 7.82 3.86 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 0.00 0.00 0.00 36 L 8.42 4.89 0.00 1.63 1.54 0.93 0.84 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 37 E 8.93 4.81 0.00 1.91 1.78 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 2.25 2.21 0.00 38 E 8.59 2.83 0.00 1.19 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.47 0.00 39 D 7.74 4.62 0.00 2.74 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 40 D 8.27 4.44 0.00 2.69 2.85 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 41 I 7.12 4.38 1.66 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.23 0.82 0.00 0.00 42 I 8.76 4.13 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.43 0.86 0.00 0.00 43 S 7.50 4.84 0.00 3.80 3.75 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 44 I 8.59 4.48 1.78 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.38 0.32 0.00 0.00 45 I 8.15 4.54 1.82 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 1.35 1.39 0.92 0.00 0.00 46 F 8.87 5.43 0.00 2.92 2.89 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 47 T 8.89 4.93 4.36 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 1.28 0.00 0.00 48 V 8.10 5.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 49 T 8.32 4.35 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 1.29 0.00 0.00 50 K 8.74 3.94 0.00 1.76 1.92 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.37 7.81 51 D 8.08 4.49 0.00 2.78 2.79 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 52 L 7.87 4.86 0.00 1.71 1.61 0.89 1.23 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 53 D 9.15 4.66 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.23 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.33 4.63 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 56 F 8.95 4.08 0.00 2.99 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 57 P 0.00 4.15 0.00 1.60 1.95 0.00 3.40 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 2.05 2.07 0.00 58 A 7.59 3.47 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 59 I 7.61 3.56 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 1.40 0.77 0.87 0.00 0.00 60 A 7.52 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 61 A 7.73 3.91 1.63 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 62 R 7.73 3.95 0.00 1.86 2.13 0.00 3.25 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 63 N 8.13 4.56 0.00 2.88 2.75 0.00 0.00 6.97 7.84 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 *65 G 7.87 3.94 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 0.00 0.00 0.00 66 W 8.66 5.14 0.00 3.50 3.15 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 67 T 7.81 4.46 4.28 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 1.27 0.00 0.00 68 S 8.63 4.71 0.00 3.94 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 69 T 7.57 4.51 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 1.24 0.00 0.00 70 A 8.58 4.16 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 71 L 8.26 5.75 0.00 1.67 1.91 1.09 1.31 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 *73 C 8.34 5.03 0.00 2.72 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 *75 N 8.53 4.73 0.00 2.59 2.78 0.00 0.00 6.91 7.66 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 76 E 8.83 4.13 0.00 1.95 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 2.34 2.32 0.00 77 I 8.39 3.39 1.88 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 1.30 0.93 0.92 0.00 0.00 78 D 8.60 4.43 0.00 2.66 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 79 V 7.97 4.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 80 P 0.00 4.30 0.00 2.07 2.01 0.00 3.73 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 2.04 2.12 0.00 81 G 9.04 3.94 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 0.00 0.00 0.00 82 S 7.45 4.44 0.00 4.03 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 83 L 8.42 3.84 0.00 1.62 1.68 0.94 1.01 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 84 E 8.67 4.26 0.00 2.01 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 2.31 2.33 0.00 85 K 9.07 3.80 0.00 1.90 1.90 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.43 7.81 86 C 8.10 5.30 0.00 3.15 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 87 I 8.69 5.04 1.91 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 1.24 0.56 1.06 0.00 0.00 88 R 9.02 5.10 0.00 1.74 1.77 0.00 3.28 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 89 V 8.25 5.05 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 1.20 0.00 0.00 1.01 0.00 0.00 *92 H 8.49 5.00 0.00 3.17 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.62 4.84 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.03 0.00 0.00 94 N 9.16 4.82 0.00 2.61 2.71 0.00 0.00 6.68 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 95 T 8.27 4.65 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 1.45 0.00 0.00 96 D 8.59 4.72 0.00 2.82 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 97 K 7.65 4.48 0.00 1.89 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 98 D 8.25 4.78 0.00 2.80 2.51 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 99 K 7.91 2.75 0.00 0.79 0.99 0.00 1.06 0.00 0.00 1.37 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.02 0.61 7.81 100 K 7.67 3.89 0.00 1.69 1.78 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.34 7.81 101 D 7.84 4.66 0.00 2.72 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 0.00 102 I 7.24 3.84 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.69 0.00 0.00 103 K 8.96 4.42 0.00 1.67 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.35 7.81 104 H 8.61 4.76 0.00 3.21 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.33 4.39 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 0.96 0.00 0.00 0.92 0.00 0.00 106 Y 8.73 5.04 0.00 2.89 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 0.00 107 L 8.87 4.85 0.00 1.56 1.54 0.97 0.78 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 0.00 108 N 8.99 3.97 0.00 2.93 2.26 0.00 0.00 6.77 7.94 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 0.00 109 G 9.57 3.75 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 0.00 0.00 0.00 110 A 8.03 4.38 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.63 4.29 0.00 1.81 1.91 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.72 7.81 112 V 7.19 3.65 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 113 L 8.15 3.89 0.00 1.54 1.66 0.71 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.