NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5905 8.1933 115.5817 58.2981 63.9103 172.3146 3 V 4.8897 8.5463 119.6078 59.4757 35.4983 173.5821 4 T 4.6466 10.3845 121.3095 62.0547 72.0161 172.7333 5 Q 5.1444 8.7267 125.4987 53.3373 29.9891 174.5342 6 P 4.3933 0.0000 0.0000 64.5073 31.6083 176.3495 7 D 4.8951 7.3396 119.2904 52.2357 42.9321 175.7966 8 A 4.2466 8.8152 126.3994 54.5966 19.3937 177.1696 9 R 5.1375 7.8921 111.6958 54.5205 33.9175 175.4628 10 V 4.5252 8.9209 121.4059 61.6681 35.3676 173.8167 11 T 5.1627 8.6001 123.2946 61.9327 71.3747 173.7402 12 V 4.5746 8.7800 118.4035 59.4600 36.5055 174.9640 13 S 4.6513 8.5410 119.6554 57.8167 63.9990 173.4629 14 E 3.9590 8.8745 125.0220 58.3054 29.6816 176.5813 15 G 3.9196 9.3767 114.2297 44.5018 0.0000 173.5218 16 A 4.3833 7.9227 121.6366 51.2383 20.2992 176.7970 17 S 4.7794 8.3069 114.7519 57.3839 64.2114 173.9133 18 L 4.7189 8.6546 125.0217 53.2778 45.0302 175.0159 19 Q 4.7440 8.4286 125.4922 54.4917 32.0143 173.6644 20 L 4.6731 8.3699 126.9393 52.9685 43.8144 176.3112 21 R 4.4155 8.6318 123.3844 56.2267 31.4160 176.9232 22 C 5.2075 9.1228 121.8056 55.6423 45.4933 172.5828 23 K 5.4528 9.6098 126.2552 54.8043 35.0679 174.7692 24 Y 5.3814 8.9116 121.0127 55.2543 41.6417 174.6561 25 S 4.7298 9.0842 116.4150 57.2622 64.9304 173.0098 26 Y 4.7265 8.4399 125.1962 56.6535 41.5924 174.4831 27 S 4.0959 8.5349 123.8943 61.6245 63.1905 174.8047 28 A 4.1787 6.5949 120.3323 51.5548 19.1035 176.1734 29 T 3.7965 8.4088 114.8809 63.2737 68.4460 172.5831 30 P 3.9587 0.0000 0.0000 62.4022 32.0784 175.3216 31 Y 4.2041 7.9381 120.9976 56.0995 39.7864 174.2897 32 L 4.8066 7.3586 123.2268 53.0917 44.1442 175.9686 33 F 5.5805 9.5155 119.7935 55.9101 44.3452 173.5702 34 W 5.6617 9.2600 119.5572 55.4823 32.6396 174.2150 35 Y 5.4037 10.0607 122.5883 56.1138 41.2377 174.9625 36 V 4.2916 8.8590 122.1627 59.7663 34.7674 174.5222 37 Q 4.5704 8.4491 124.4477 54.5010 31.5183 173.5751 38 Y 4.7031 8.4120 124.6571 56.6593 39.7504 173.3099 39 P 4.0044 0.0000 0.0000 63.3800 31.8854 175.9572 40 R 3.8956 8.7837 120.9786 57.1665 27.6948 175.6791 41 Q 4.5976 7.7601 114.1949 54.0349 32.9821 175.0461 42 G 3.9847 8.3225 106.7525 44.9037 0.0000 171.7631 43 P 4.7919 0.0000 0.0000 62.5316 32.1154 176.1997 44 Q 4.8988 9.4170 122.7195 53.7357 32.0913 174.7432 45 L 3.5972 8.6032 125.4903 55.3920 42.3750 175.6450 46 L 4.5047 9.0074 129.5238 56.3014 43.3573 175.8354 47 L 4.7409 7.5909 116.4049 55.1630 43.6150 172.7605 48 K 5.0369 8.3739 117.3523 55.8359 35.7953 174.7300 49 Y 4.2813 8.3439 121.7766 56.5647 41.3963 173.6855 50 Y 4.4071 7.8934 122.9492 58.4738 40.1820 176.2103 51 S 4.5336 6.5798 110.9512 58.4569 66.7959 175.2030 52 G 3.9733 8.6207 107.0209 44.8159 0.0000 174.2875 53 D 4.4006 8.9213 125.1456 54.2597 41.3380 174.8274 54 P 4.4043 0.0000 0.0000 64.4611 32.5318 175.5883 55 V 4.7957 8.2788 121.2643 61.5259 32.8329 175.1322 56 V 4.5781 8.7122 121.7128 59.9512 34.3085 175.0210 57 Q 4.9803 8.7140 121.7916 54.4427 31.1331 175.0179 58 G 4.3954 9.0861 110.2401 44.2253 0.0000 172.4188 59 V 3.9912 8.1604 119.2664 63.0927 32.1795 175.2309 60 N 3.9508 9.4097 117.0538 54.8907 36.0479 174.3942 61 G 3.9259 8.1540 99.7510 46.9725 0.0000 173.6149 62 F 5.0609 7.7212 115.6914 55.4176 42.3451 175.5674 63 E 5.2143 9.0894 118.7478 55.2571 33.4450 173.7123 64 A 4.8732 8.6939 121.1666 50.3652 23.6276 174.5879 65 E 5.0900 8.5463 119.7642 54.3338 32.6425 174.6191 66 F 5.2295 9.3989 130.3250 57.9650 40.6221 175.3675 67 S 3.9270 8.5265 119.9620 55.9605 63.6091 173.9588 68 K 3.7493 8.0636 126.9817 58.4094 32.0696 177.9673 69 S 4.1421 7.9039 111.2607 61.6458 62.6572 174.9783 70 N 4.3529 8.1306 118.3800 53.0262 39.0909 174.6333 71 S 3.2899 8.1069 113.6937 60.2888 61.1119 171.3990 72 S 5.3882 7.6779 111.7970 56.2654 66.8670 173.6761 73 F 6.1640 8.7390 121.0521 57.6493 38.6451 174.1532 74 H 4.8663 8.2314 118.6028 56.1692 30.5364 176.2247 75 L 4.4879 8.6506 124.7147 53.9108 44.1249 175.0627 76 R 5.0916 8.7454 123.0970 55.0135 34.2342 173.5559 77 K 4.5910 8.6040 124.8577 54.5762 34.6888 177.1562 78 A 3.7779 8.5881 130.0986 54.8210 18.5959 176.4046 79 S 4.5058 7.3842 110.7944 57.1475 64.7944 173.9707 80 V 4.0940 8.6719 121.7180 61.4403 33.1244 175.1894 81 H 5.1083 9.1980 119.6672 53.7157 32.8147 175.0065 82 R 3.9517 8.7158 118.1091 59.8709 30.0630 179.5364 83 S 4.1404 8.3624 112.1740 62.0201 62.7798 175.4816 84 D 4.9072 8.1004 117.5807 55.9804 40.6885 176.5012 85 S 4.8004 8.6407 116.5014 58.9478 63.3810 173.6203 86 A 4.3290 8.2177 125.3563 52.0115 23.1505 173.7332 87 V 4.6287 7.4480 116.4533 61.6353 33.9116 174.8344 88 Y 4.9938 9.1579 125.7080 56.2897 40.4321 174.5309 89 F 5.3031 9.8902 123.5675 55.9154 42.2397 173.6740 90 C 4.3578 8.6999 122.5766 54.7735 41.0070 172.0601 91 A 5.1621 8.9619 126.5914 50.4012 22.8507 175.2068 92 V 4.7047 8.0616 120.1486 59.3876 34.8997 174.8219 93 S 4.0498 9.2420 119.5179 58.1366 62.8254 171.7633 *99 D 4.9565 8.8038 128.2834 52.9111 41.5475 174.9463 100 P 4.4342 0.0000 0.0000 61.9404 31.3529 174.5342 101 P 4.6777 0.0000 0.0000 62.0607 31.7939 173.6981 102 P 4.6715 0.0000 0.0000 63.0280 31.6847 175.9408 103 L 4.3659 7.9278 118.8786 54.5974 42.6549 175.8296 104 L 4.5463 8.1496 123.1482 53.4783 44.6805 175.3948 105 T 4.4965 8.2118 122.8469 61.9185 70.4188 174.3719 106 F 4.5959 8.8635 125.4402 56.8167 40.5722 175.4431 107 G 4.2825 8.7190 108.2907 44.9933 0.0000 174.9262 108 S 4.3450 8.8321 113.5223 59.3216 63.4037 175.7426 109 G 3.6527 8.2746 105.6693 45.8092 0.0000 172.7790 110 T 4.7953 7.9109 114.7824 61.5126 72.8839 173.0040 111 K 4.7040 9.2727 128.5328 55.3801 34.0432 175.1439 112 V 4.8124 9.1691 128.1765 61.3014 33.8074 174.1421 113 I 4.9154 8.8540 129.3155 59.4629 39.6959 174.7427 114 V 5.3994 8.3130 127.0540 59.1389 33.4036 175.9810 115 L 4.3215 8.4488 122.6848 54.9654 41.3543 176.6110 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 8.19 4.59 0.00 4.01 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 0.00 3 V 8.55 4.89 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 1.00 0.00 0.00 4 T 10.38 4.65 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 1.26 0.00 0.00 5 Q 8.73 5.14 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 6 P 0.00 4.39 0.00 2.20 2.23 0.00 4.00 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 7 D 7.34 4.90 0.00 2.87 2.63 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 8 A 8.82 4.25 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 9 R 7.89 5.14 0.00 1.67 1.81 0.00 3.18 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 V 8.92 4.53 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 1.02 0.00 0.00 0.93 0.00 0.00 11 T 8.60 5.16 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 1.25 0.00 0.00 12 V 8.78 4.57 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 0.79 0.00 0.00 0.95 0.00 0.00 13 S 8.54 4.65 0.00 3.76 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 0.00 14 E 8.87 3.96 0.00 1.93 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 2.33 2.51 0.00 15 G 9.38 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 16 A 7.92 4.38 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 17 S 8.31 4.78 0.00 3.70 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 4.72 0.00 1.60 1.30 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.43 4.74 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 20 L 8.37 4.67 0.00 1.15 1.61 0.54 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.63 4.42 0.00 1.70 1.80 0.00 3.14 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 22 C 9.12 5.21 0.00 3.20 3.44 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 23 K 9.61 5.45 0.00 1.71 1.68 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.55 7.81 24 Y 8.91 5.38 0.00 2.98 3.05 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 25 S 9.08 4.73 0.00 3.87 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 26 Y 8.44 4.73 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 27 S 8.53 4.10 0.00 3.67 3.81 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 28 A 6.59 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.41 3.80 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 0.49 0.00 0.00 30 P 0.00 3.96 0.00 1.48 1.72 0.00 3.56 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.06 0.00 31 Y 7.94 4.20 0.00 2.95 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 32 L 7.36 4.81 0.00 0.27 0.74 0.26 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.52 5.58 0.00 3.06 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 34 W 9.26 5.66 0.00 3.30 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 35 Y 10.06 5.40 0.00 3.21 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 36 V 8.86 4.29 1.62 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 0.62 0.00 0.00 -0.39 0.00 0.00 37 Q 8.45 4.57 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 38 Y 8.41 4.70 0.00 2.98 2.82 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 39 P 0.00 4.00 0.00 2.10 2.03 0.00 4.01 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 2.10 2.22 0.00 40 R 8.78 3.90 0.00 1.96 2.01 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 41 Q 7.76 4.60 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 G 8.32 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 43 P 0.00 4.79 0.00 1.75 1.89 0.00 3.48 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 44 Q 9.42 4.90 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 45 L 8.60 3.60 0.00 1.42 1.51 0.53 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.01 4.50 0.00 1.92 1.61 0.78 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.59 4.74 0.00 1.85 1.78 1.14 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.37 5.04 0.00 1.16 1.81 0.00 1.18 0.00 0.00 1.61 0.00 0.00 2.52 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.10 0.75 7.81 49 Y 8.34 4.28 0.00 3.18 2.31 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 50 Y 7.89 4.41 0.00 2.73 2.66 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 51 S 6.58 4.53 0.00 3.91 3.70 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 52 G 8.62 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 53 D 8.92 4.40 0.00 2.72 2.73 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 54 P 0.00 4.40 0.00 2.17 2.36 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 55 V 8.28 4.80 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 0.80 0.00 0.00 0.94 0.00 0.00 56 V 8.71 4.58 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 1.04 0.00 0.00 1.20 0.00 0.00 57 Q 8.71 4.98 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 58 G 9.09 4.40 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 0.00 59 V 8.16 3.99 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 1.04 0.00 0.00 0.99 0.00 0.00 60 N 9.41 3.95 0.00 3.29 3.16 0.00 0.00 6.96 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 61 G 8.15 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 0.00 0.00 0.00 62 F 7.72 5.06 0.00 3.22 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 63 E 9.09 5.21 0.00 2.08 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 0.00 2.11 2.19 0.00 64 A 8.69 4.87 0.67 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 0.00 0.00 65 E 8.55 5.09 0.00 2.03 1.74 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 0.00 2.17 2.21 0.00 66 F 9.40 5.23 0.00 2.51 2.46 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 67 S 8.53 3.93 0.00 3.72 3.52 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 68 K 8.06 3.75 0.00 1.75 1.73 0.00 1.82 0.00 0.00 2.51 0.00 0.00 3.10 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.46 7.81 69 S 7.90 4.14 0.00 3.95 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 N 8.13 4.35 0.00 2.62 2.78 0.00 0.00 7.44 7.20 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 71 S 8.11 3.29 0.00 3.80 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.68 5.39 0.00 3.74 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 73 F 8.74 6.16 0.00 3.08 3.19 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 74 H 8.23 4.87 0.00 3.15 3.18 0.00 5.67 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 75 L 8.65 4.49 0.00 0.27 0.34 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.75 5.09 0.00 1.71 1.57 0.00 3.01 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 77 K 8.60 4.59 0.00 0.88 1.16 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.93 1.02 7.81 78 A 8.59 3.78 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 79 S 7.38 4.51 0.00 3.77 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 80 V 8.67 4.09 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 0.58 0.00 0.00 0.94 0.00 0.00 81 H 9.20 5.11 0.00 3.04 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.72 3.95 0.00 1.85 2.03 0.00 3.17 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 83 S 8.36 4.14 0.00 3.93 3.95 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 84 D 8.10 4.91 0.00 2.95 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 85 S 8.64 4.80 0.00 3.95 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 86 A 8.22 4.33 0.94 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 87 V 7.45 4.63 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 0.47 0.00 0.00 0.88 0.00 0.00 88 Y 9.16 4.99 0.00 3.01 3.09 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 0.00 0.00 0.00 0.00 89 F 9.89 5.30 0.00 3.22 3.24 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 90 C 8.70 4.36 0.00 1.73 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 91 A 8.96 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.06 4.70 1.90 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 0.51 0.00 0.00 0.39 0.00 0.00 93 S 9.24 4.05 0.00 4.30 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 *99 D 8.80 4.96 0.00 2.66 2.35 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 0.00 100 P 0.00 4.43 0.00 2.30 2.27 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 101 P 0.00 4.68 0.00 2.01 1.91 0.00 3.76 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 102 P 0.00 4.67 0.00 2.11 2.06 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 103 L 7.93 4.37 0.00 1.73 1.60 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.15 4.55 0.00 1.37 1.07 0.33 0.47 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 0.00 105 T 8.21 4.50 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 0.00 106 F 8.86 4.60 0.00 2.80 2.82 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 0.00 107 G 8.72 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 0.00 0.00 0.00 0.00 108 S 8.83 4.35 0.00 4.08 4.09 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 0.00 0.00 0.00 0.00 109 G 8.27 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 0.00 110 T 7.91 4.80 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 1.31 0.00 0.00 111 K 9.27 4.70 0.00 1.79 1.69 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.40 7.81 112 V 9.17 4.81 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 0.92 0.00 0.00 0.92 0.00 0.00 113 I 8.85 4.92 1.89 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 1.32 0.72 0.94 0.00 0.00 114 V 8.31 5.40 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 0.85 0.00 0.00 0.96 0.00 0.00 115 L 8.45 4.32 0.00 1.55 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.