NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4481 8.3349 115.4137 58.5103 63.5425 173.4084 2 N 4.4522 8.1043 122.1539 55.0095 39.1950 170.6202 3 V 4.2216 8.1199 117.6586 59.5002 33.0637 172.1415 4 P 4.1550 0.0000 0.0000 62.1438 31.9553 176.7871 5 A 4.1270 8.6220 125.4452 55.3092 18.3931 178.4725 6 E 4.2923 7.9749 109.9927 56.7536 30.2170 176.1502 7 L 4.4629 7.4509 119.3478 54.0463 43.5064 175.9216 8 K 4.7883 8.3551 119.8189 55.5459 34.9272 175.2759 9 Y 5.2606 8.7549 118.4071 56.5521 42.7200 174.5456 10 S 5.0218 8.6745 115.9872 56.2093 66.1609 175.1753 11 K 3.8975 8.8871 119.2563 59.7878 31.7167 177.9557 12 E 4.4609 8.1009 115.3218 56.5019 29.9431 175.7314 13 H 4.1850 7.9180 113.5860 57.6315 26.5522 173.8736 14 E 5.3148 7.8984 117.9476 54.2995 33.4484 176.3188 15 W 5.2570 8.2125 117.4601 54.7200 32.1676 174.2366 16 L 5.2803 9.0168 120.7059 53.1209 45.1471 175.3563 17 R 4.8611 9.3764 125.0620 54.1362 31.9828 175.0467 18 K 3.5287 8.7575 128.6843 56.5151 32.8879 175.9890 19 E 4.4882 8.7312 126.7298 54.3685 31.9735 176.8476 20 A 3.8643 8.7209 124.0250 55.7437 18.1921 178.5994 21 D 4.5073 7.9016 111.1608 53.6491 39.5171 177.1905 22 G 3.8693 8.2211 109.9003 45.6037 0.0000 174.2312 23 T 4.4088 7.6628 109.8659 61.6931 70.8237 173.0006 24 Y 5.0946 9.1492 120.0991 56.5455 40.6526 175.3883 25 T 4.5312 8.8140 121.6841 63.1203 70.1504 174.0184 26 V 4.3066 7.9377 125.6332 60.1765 35.2600 174.8444 27 G 3.6499 5.9965 111.2629 45.5456 0.0000 171.3761 28 I 5.0993 8.2224 112.7956 59.1207 40.4729 175.7484 29 T 4.5543 8.7646 114.3561 60.7088 70.3598 175.2897 30 E 3.8786 8.9903 121.7162 59.7566 29.2549 178.1016 31 H 4.1444 8.5331 117.4314 59.4500 29.9506 176.9565 32 A 4.0526 8.0312 122.2930 55.0169 18.0745 179.6231 33 Q 3.9684 8.3579 116.4771 59.1532 28.4903 178.1182 34 E 3.9044 8.0493 120.5943 59.2876 29.7292 178.4470 35 L 4.0867 7.4431 118.6426 57.6330 42.1722 178.2971 36 L 4.0898 7.6576 120.1796 57.2094 42.4316 177.7038 37 G 3.8113 8.2904 105.7970 44.2371 0.0000 172.0919 38 D 4.5278 8.3263 117.9353 54.6123 41.2284 175.4160 39 M 4.4306 8.9978 124.5014 55.0617 33.0165 175.9359 40 V 4.0742 8.7637 118.8264 61.8262 33.9552 175.9776 41 F 5.1955 7.8466 117.1961 55.5966 43.7240 174.0415 42 V 4.9394 8.4566 119.5278 60.1623 34.4116 174.3453 43 D 4.8574 9.1466 124.2850 52.9029 42.4387 175.7148 44 L 5.0415 8.3660 123.5765 52.3118 44.0499 174.5634 45 P 4.5321 0.0000 0.0000 62.1437 32.9108 175.7401 46 E 4.0620 8.4877 119.7480 55.7004 30.0228 177.0065 47 V 3.7537 8.2419 123.2747 64.5597 31.8233 175.9887 48 G 4.0017 8.9868 115.8956 44.9187 0.0000 173.6495 49 A 4.1224 7.8450 122.5562 52.3890 19.5582 176.6802 50 T 4.7945 8.3937 118.5883 62.8177 69.6983 174.7657 51 V 4.6630 8.9932 119.4049 59.7031 35.5681 175.1698 52 S 4.8524 9.3100 119.0993 56.3673 64.6948 173.9873 53 A 4.3330 8.1702 126.2581 54.2999 18.4131 178.6586 54 G 4.0094 9.2918 110.5059 45.2319 0.0000 173.8887 55 D 4.6503 8.1520 120.6639 54.6758 42.1897 175.5916 56 D 4.7931 8.7951 122.5543 52.5069 39.9093 175.4426 57 C 4.8502 8.4453 117.0132 57.3996 30.9866 173.2784 58 A 4.6644 7.3927 119.8473 51.3802 22.6445 175.4911 59 V 4.7162 8.5208 118.4409 61.0932 35.0400 174.1449 60 A 4.7700 9.0984 130.5758 50.9713 20.6002 175.4879 61 E 5.1300 9.4234 123.4081 54.8768 32.0890 176.0965 62 S 4.9635 8.7111 121.1817 55.3804 66.0102 175.4598 63 V 3.6561 8.1404 117.8834 63.8114 30.8018 175.7397 *65 A 4.0908 7.8106 119.8581 51.2891 19.4731 176.4634 66 A 4.7921 8.2532 121.2981 51.8114 20.2493 177.5936 67 S 4.4182 8.7422 115.2284 57.0358 65.7221 173.2494 68 D 4.7475 8.8239 127.8956 54.4204 41.6208 175.7756 69 I 4.4154 8.6244 123.7386 59.7702 39.6235 174.3562 70 Y 5.1609 8.3272 124.2685 55.8442 40.6044 175.5807 71 A 4.3405 8.8967 125.0909 51.5878 18.7412 177.0938 72 P 4.3496 0.0000 0.0000 65.3446 31.7266 176.6200 73 V 4.5411 7.2712 109.2012 59.1851 35.9117 174.6772 74 S 4.6344 9.8424 117.7111 57.2724 63.8910 175.4047 75 G 4.1075 7.3790 109.7171 45.9739 0.0000 169.8714 76 E 5.1256 7.7686 120.0552 54.1487 32.3206 176.3973 77 I 4.3841 8.8690 128.5294 61.8139 37.5988 176.8294 78 V 4.3237 8.9850 120.0853 61.6743 33.1892 175.6732 79 A 4.7816 7.7144 120.2392 51.1841 22.3516 175.4157 80 V 4.9558 8.4055 111.7196 59.7826 36.3366 175.9082 81 N 3.7973 8.2830 122.1155 51.7782 37.4420 174.9417 82 D 4.3843 8.6251 125.1166 56.9626 41.0009 178.0780 83 A 4.0707 7.8556 120.9805 54.6159 18.0738 179.3627 84 L 3.9216 7.6000 116.6560 57.3857 41.6471 179.2755 85 S 4.2874 7.7492 114.5850 60.9754 62.8074 175.3053 86 D 4.8123 7.9954 119.0037 54.2002 43.4053 176.7615 87 S 5.2277 8.3253 114.5152 54.5380 63.4715 173.1075 88 P 4.3119 0.0000 0.0000 65.3681 31.5061 178.3381 89 E 4.1545 8.1244 117.0908 58.9963 29.3888 178.5674 90 L 4.2005 7.7771 121.6023 57.1984 41.3703 179.5461 91 V 3.7372 7.6048 117.3295 65.6007 31.4201 177.4259 92 N 4.8524 8.0583 116.5739 55.1405 39.0560 177.0749 93 S 4.3654 8.3207 115.8036 60.0256 64.6843 174.0311 94 E 5.0283 8.3710 120.8139 53.7899 29.4813 174.9279 95 P 4.3303 0.0000 0.0000 65.5621 31.8423 177.6152 96 Y 3.7867 7.5323 113.5173 57.6188 40.4110 175.2581 97 A 4.5229 8.5570 121.0528 52.0617 19.1560 178.8604 98 G 3.8731 6.4405 114.3831 47.7499 0.0000 174.9756 99 G 3.9198 8.1286 107.2552 44.9282 0.0000 173.8772 100 W 4.4624 7.9838 116.8765 57.4722 28.6733 175.5324 101 I 4.1809 8.8784 121.6652 62.7011 38.3356 175.5725 102 F 5.7316 7.3104 114.0573 55.7585 42.1230 172.2550 103 K 5.2595 9.6441 117.5077 54.6858 35.7149 175.6409 104 I 5.0782 9.0704 123.7785 59.2027 42.0053 174.1390 105 K 4.8411 9.2887 130.9219 54.8169 32.6819 175.4091 106 A 4.7521 8.8090 130.0420 51.8264 19.0366 176.9500 107 S 4.5711 8.6102 114.5606 57.6994 63.9097 173.9931 108 D 4.4801 7.6936 120.8902 53.1582 42.4597 175.4404 109 E 4.1009 8.7901 127.9679 58.9644 29.6769 179.5642 110 S 4.5944 7.8580 112.4295 59.7430 63.8547 176.4783 111 E 3.8321 8.3974 121.4509 59.4726 28.9686 179.0930 112 L 3.9435 7.3161 116.6409 57.1617 41.5585 178.6108 113 E 4.3451 7.7270 117.4587 57.8546 29.6143 178.4016 114 S 4.2927 7.7254 114.3773 59.8920 63.2412 174.6454 115 L 4.2121 7.3333 120.9100 54.9674 42.2704 177.1535 116 L 4.5298 8.8208 122.2079 54.6450 43.4928 176.5842 117 D 4.9890 8.6077 121.4213 52.3114 41.9431 176.8613 118 A 4.1199 9.1056 119.8544 55.9573 18.0453 179.8343 119 T 3.7953 7.9734 107.1955 64.9542 68.8105 176.2626 120 A 3.9825 8.5959 123.8156 54.9083 18.3778 179.0779 121 Y 4.0297 8.0418 118.0385 60.8936 38.6653 177.5287 122 E 3.7182 7.9559 118.0730 59.5875 29.8698 179.0956 123 A 4.0534 8.1141 120.5138 55.0706 17.9682 179.3958 124 L 3.9653 7.9094 118.9563 58.2723 41.8783 179.1124 125 L 3.5676 7.3630 117.7362 57.0592 41.5920 178.8016 126 E 4.0486 7.9075 117.9868 58.7769 29.4157 176.5449 127 D 4.6148 7.3182 122.6639 54.5550 40.7727 176.6503 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 1 S 8.33 4.45 0.00 3.91 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 2 N 8.10 4.45 0.00 2.87 3.02 0.00 0.00 6.92 6.79 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 3 V 8.12 4.22 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 0.65 0.00 0.00 0.95 0.00 0.00 4 P 0.00 4.16 0.00 1.66 1.69 0.00 2.71 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.58 0.00 5 A 8.62 4.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.97 4.29 0.00 2.06 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 2.18 2.21 0.00 7 L 7.45 4.46 0.00 0.94 1.17 0.20 0.72 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 8 K 8.36 4.79 0.00 1.64 1.69 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.61 7.81 9 Y 8.75 5.26 0.00 2.80 2.29 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 10 S 8.67 5.02 0.00 3.88 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 11 K 8.89 3.90 0.00 1.77 1.94 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.50 7.81 12 E 8.10 4.46 0.00 2.01 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 0.00 2.28 2.39 0.00 13 H 7.92 4.19 0.00 3.49 3.65 0.00 5.57 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.90 5.31 0.00 1.78 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 0.00 2.20 2.41 0.00 15 W 8.21 5.26 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 16 L 9.02 5.28 0.00 1.60 1.72 0.81 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17 R 9.38 4.86 0.00 2.08 2.00 0.00 3.26 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 18 K 8.76 3.53 0.00 1.57 1.54 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 0.72 7.81 19 E 8.73 4.49 0.00 1.95 1.72 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 2.33 2.24 0.00 20 A 8.72 3.86 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 21 D 7.90 4.51 0.00 2.76 2.74 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 0.00 0.00 0.00 22 G 8.22 3.87 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 0.00 23 T 7.66 4.41 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 1.26 0.00 0.00 24 Y 9.15 5.09 0.00 2.92 2.90 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 25 T 8.81 4.53 4.37 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 1.13 0.00 0.00 26 V 7.94 4.31 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 0.00 0.00 0.17 0.00 0.00 0.72 0.00 0.00 27 G 6.00 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 28 I 8.22 5.10 1.93 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 1.42 0.79 0.89 0.00 0.00 29 T 8.76 4.55 4.70 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 1.57 0.00 0.00 30 E 8.99 3.88 0.00 2.22 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 0.00 2.34 2.56 0.00 31 H 8.53 4.14 0.00 3.37 3.49 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.03 4.05 1.49 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 0.00 0.00 33 Q 8.36 3.97 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 34 E 8.05 3.90 0.00 1.97 2.29 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 2.30 2.33 0.00 35 L 7.44 4.09 0.00 1.50 1.80 0.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.66 4.09 0.00 1.69 1.84 0.93 1.18 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 37 G 8.29 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 0.00 0.00 0.00 38 D 8.33 4.53 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 39 M 9.00 4.43 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 40 V 8.76 4.07 1.51 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 0.59 0.00 0.00 0.87 0.00 0.00 41 F 7.85 5.20 0.00 3.02 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 42 V 8.46 4.94 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 0.72 0.00 0.00 0.98 0.00 0.00 43 D 9.15 4.86 0.00 2.55 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 44 L 8.37 5.04 0.00 1.49 1.56 0.88 1.12 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 45 P 0.00 4.53 0.00 1.91 2.04 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.00 46 E 8.49 4.06 0.00 1.99 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 2.36 2.21 0.00 47 V 8.24 3.75 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 0.85 0.00 0.00 0.97 0.00 0.00 48 G 8.99 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 49 A 7.85 4.12 1.22 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 0.00 0.00 50 T 8.39 4.79 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 1.20 0.00 0.00 51 V 8.99 4.66 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 0.61 0.00 0.00 0.90 0.00 0.00 52 S 9.31 4.85 0.00 3.83 3.76 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 53 A 8.17 4.33 1.22 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 0.00 0.00 54 G 9.29 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 55 D 8.15 4.65 0.00 2.71 2.62 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 56 D 8.80 4.79 0.00 2.34 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 57 C 8.45 4.85 0.00 2.77 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 58 A 7.39 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.72 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 1.06 0.00 0.00 0.86 0.00 0.00 60 A 9.10 4.77 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 61 E 9.42 5.13 0.00 2.05 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 2.27 2.43 0.00 62 S 8.71 4.96 0.00 3.91 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 63 V 8.14 3.66 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 0.79 0.00 0.00 0.90 0.00 0.00 *65 A 7.81 4.09 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 66 A 8.25 4.79 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 67 S 8.74 4.42 0.00 3.90 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 68 D 8.82 4.75 0.00 2.35 1.82 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 69 I 8.62 4.42 1.93 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 1.22 0.70 1.00 0.00 0.00 70 Y 8.33 5.16 0.00 2.88 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 71 A 8.90 4.34 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 72 P 0.00 4.35 0.00 2.14 2.28 0.00 3.98 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 73 V 7.27 4.54 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 0.64 0.00 0.00 0.83 0.00 0.00 74 S 9.84 4.63 0.00 3.93 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 75 G 7.38 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.77 5.13 0.00 2.06 1.79 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 2.20 2.39 0.00 77 I 8.87 4.38 1.95 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.99 0.00 0.00 78 V 8.98 4.32 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 0.73 0.00 0.00 1.01 0.00 0.00 79 A 7.71 4.78 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 80 V 8.41 4.96 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 0.81 0.00 0.00 0.94 0.00 0.00 81 N 8.28 3.80 0.00 1.44 1.89 0.00 0.00 7.52 8.09 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 82 D 8.63 4.38 0.00 2.72 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 83 A 7.86 4.07 1.32 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 0.00 0.00 84 L 7.60 3.92 0.00 1.60 1.67 0.80 0.53 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 85 S 7.75 4.29 0.00 4.03 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 86 D 8.00 4.81 0.00 2.62 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 87 S 8.33 5.23 0.00 3.89 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 88 P 0.00 4.31 0.00 2.30 2.25 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 89 E 8.12 4.15 0.00 2.15 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 0.00 2.34 2.32 0.00 90 L 7.78 4.20 0.00 1.81 1.86 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.60 3.74 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 0.82 0.00 0.00 0.94 0.00 0.00 92 N 8.06 4.85 0.00 2.83 2.83 0.00 0.00 7.32 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 93 S 8.32 4.37 0.00 4.04 4.11 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 0.00 0.00 0.00 94 E 8.37 5.03 0.00 2.00 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 2.24 2.22 0.00 95 P 0.00 4.33 0.00 1.85 2.22 0.00 3.70 0.00 0.00 3.78 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 96 Y 7.53 3.79 0.00 2.77 2.37 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 97 A 8.56 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 6.44 3.87 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 0.00 99 G 8.13 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 0.00 100 W 7.98 4.46 0.00 3.66 3.40 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 0.00 101 I 8.88 4.18 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.95 1.04 0.00 0.00 102 F 7.31 5.73 0.00 3.31 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 0.00 103 K 9.64 5.26 0.00 1.78 1.72 0.00 1.45 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.08 1.08 7.81 104 I 9.07 5.08 2.23 0.00 0.00 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 1.21 1.30 1.14 0.00 0.00 105 K 9.29 4.84 0.00 1.87 1.74 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.44 7.81 106 A 8.81 4.75 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.61 4.57 0.00 3.98 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 0.00 108 D 7.69 4.48 0.00 2.63 2.74 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 0.00 0.00 0.00 109 E 8.79 4.10 0.00 2.05 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 2.43 2.27 0.00 110 S 7.86 4.59 0.00 4.00 4.12 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 0.00 111 E 8.40 3.83 0.00 2.28 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 2.31 2.43 0.00 112 L 7.32 3.94 0.00 1.87 1.69 0.98 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.73 4.35 0.00 2.04 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 2.30 2.35 0.00 114 S 7.73 4.29 0.00 3.90 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 0.00 115 L 7.33 4.21 0.00 1.52 1.72 0.75 0.99 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 0.00 116 L 8.82 4.53 0.00 1.82 1.71 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.61 4.99 0.00 2.88 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 0.00 118 A 9.11 4.12 1.54 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 0.00 0.00 119 T 7.97 3.80 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 1.23 0.00 0.00 120 A 8.60 3.98 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 0.00 121 Y 8.04 4.03 0.00 2.88 2.57 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 0.00 0.00 0.00 0.00 122 E 7.96 3.72 0.00 2.08 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 2.27 2.51 0.00 123 A 8.11 4.05 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 0.00 124 L 7.91 3.97 0.00 1.74 1.63 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.36 3.57 0.00 1.54 1.47 0.63 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.91 4.05 0.00 2.11 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 2.29 2.50 0.00 127 D 7.32 4.61 0.00 2.47 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 * Residues marked with a * may have inaccurate shift predictions.