NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4839 8.1933 115.4136 58.7470 65.8036 175.7978 1 M 3.8629 7.8116 120.4566 56.5773 32.4849 177.2842 2 S 4.0339 8.3816 113.1627 61.4079 63.4773 174.4026 3 D 4.7241 7.7753 116.3473 54.9589 40.8960 176.4261 4 V 4.2963 7.8085 109.7555 61.6435 32.5499 175.0345 5 A 4.6684 7.7182 123.2931 50.8023 21.7784 176.4053 6 I 4.7245 8.0713 119.3396 60.2249 38.4140 176.3591 7 V 3.9166 9.4012 128.6525 64.9518 32.1867 176.1351 8 K 4.6130 7.6844 120.2542 54.9085 35.4771 174.4192 9 E 5.2046 9.3312 123.0850 54.0267 32.9864 174.7060 10 G 4.2564 6.5543 107.4773 44.3639 0.0000 171.4515 11 W 5.2835 8.3326 119.9025 55.9812 30.5526 175.9884 12 L 4.7882 9.0731 122.3880 54.9625 44.3751 174.0141 13 H 5.4148 9.1222 116.7677 54.7345 30.5531 174.5513 14 K 4.7927 9.4684 124.6896 54.4712 34.4559 175.0510 15 R 4.1845 8.4507 128.8543 55.4555 30.6710 176.3881 16 G 3.9780 7.9845 112.9969 45.8471 0.0000 173.6668 17 K 3.8267 8.6604 122.7817 58.8285 32.3122 177.2952 18 Y 4.4328 7.7349 112.5915 59.0655 40.3257 175.9018 19 I 4.1133 7.5270 122.9515 59.9810 37.1821 176.3752 20 K 4.3535 8.1886 130.6265 55.7026 30.9111 177.1106 21 T 4.5190 6.9665 110.0150 59.3337 72.3288 175.1726 22 W 4.9099 8.5446 124.4564 56.7721 30.1624 175.8408 23 R 5.0008 9.1460 123.0395 53.5379 33.8332 172.9678 24 P 5.2187 0.0000 0.0000 63.1279 32.4967 175.8715 25 R 5.0656 9.3847 121.5782 54.8502 35.1274 173.3654 26 Y 4.0336 8.5610 125.4129 56.5851 40.0066 174.2301 27 F 5.0630 8.3671 125.2381 55.5497 42.9327 174.5323 28 L 5.2827 8.7492 120.4365 53.0624 45.3931 175.2995 29 L 5.0673 9.7553 127.1594 53.9985 43.4867 175.2131 30 K 4.9501 8.8242 126.3153 54.7807 33.8386 177.4684 31 N 4.2195 8.6312 121.8030 56.7574 38.6178 176.0872 32 D 4.4564 7.9840 114.5194 54.1924 40.0651 176.9328 33 G 4.0556 8.5932 110.1069 45.1632 0.0000 173.6709 34 T 4.6390 8.5051 110.8877 61.5096 70.8028 173.9437 35 F 5.5741 9.2177 125.5010 56.7788 42.0824 173.1729 36 I 4.6011 8.3959 120.1728 58.9107 40.0238 175.0047 37 G 2.9240 7.7396 111.0648 44.1596 0.0000 171.0064 38 Y 4.9691 8.1154 117.2389 55.7949 42.3348 176.4764 39 K 4.0048 9.1549 123.4759 59.1805 32.4572 176.6136 40 E 5.0752 7.7714 114.6278 53.6891 32.9270 175.4502 41 R 2.8959 8.4793 120.4434 55.5750 29.9819 174.3227 42 P 3.9375 0.0000 0.0000 62.5018 31.9335 175.8052 43 Q 3.9104 8.6186 124.8143 57.8045 28.2866 179.7079 44 D 4.6590 8.3133 127.2872 53.2767 42.5283 176.7082 45 V 3.6809 8.3188 116.5947 66.3490 32.0369 178.7732 46 D 4.6363 8.2059 118.4722 56.5236 41.6164 177.7621 47 Q 4.1017 8.7577 120.7776 58.7433 29.1517 177.7971 48 R 4.0083 7.4258 115.4202 57.6427 30.0731 176.8916 49 E 4.5157 7.9511 115.5422 56.0801 30.1307 175.7449 50 A 4.8626 7.7522 120.8837 49.9439 18.7098 173.8922 51 P 3.8326 0.0000 0.0000 61.4422 33.0569 176.6094 52 L 4.3948 8.2144 120.3599 55.8081 43.5083 176.1872 53 N 5.1455 7.2954 114.1911 51.7039 43.0197 174.2325 54 N 4.9694 8.6811 119.0403 52.8361 41.2652 173.3619 55 F 5.1960 8.3689 118.8574 55.1978 42.4211 173.2614 56 S 5.0251 9.0732 113.7676 57.2471 63.3428 173.7758 57 V 4.6850 8.9411 118.8872 61.0126 33.2980 175.1208 58 A 4.2818 7.7402 124.0492 52.4985 19.5622 176.7796 59 Q 3.5542 9.4549 123.6865 55.7010 24.8891 171.8030 60 C 5.2115 7.7425 114.1488 57.0997 33.4874 173.4844 61 Q 4.7131 9.1416 118.7217 54.0999 31.2496 174.7757 62 L 5.0993 8.5727 123.4633 53.4746 43.4971 175.7281 63 M 4.9635 9.1775 123.4734 53.3526 35.9718 174.7773 64 K 5.3384 8.7886 121.1180 54.9864 35.1194 175.4418 65 T 4.8035 9.2091 113.2901 60.1589 73.0894 174.0018 66 E 4.8211 8.8389 119.3235 56.0032 30.5137 175.7177 67 R 4.9685 7.7424 117.4942 53.9886 33.4660 173.4023 68 P 4.7242 0.0000 0.0000 63.0795 32.1482 175.9162 69 R 4.6974 7.4279 114.8633 53.7316 33.8130 173.4340 70 P 4.9127 0.0000 0.0000 63.4616 32.2187 175.4458 71 N 4.3767 8.9627 115.2988 54.8575 35.8826 174.1050 72 T 4.9960 7.6139 114.7296 63.1492 70.2951 174.1726 73 F 5.5794 9.0396 119.0808 55.3529 42.1702 173.3076 74 I 5.0409 9.1583 120.8558 59.6127 40.5114 174.2565 75 I 4.8413 9.2797 127.2973 59.3397 40.2973 174.0541 76 R 5.1428 9.0534 131.0530 54.7548 32.0351 173.9957 77 C 5.3494 8.9676 121.9641 55.8192 32.9784 173.3778 78 L 4.4162 8.5219 125.0154 54.7375 42.2224 176.9167 79 Q 4.5458 8.6866 126.8133 54.9494 28.6237 173.7627 80 W 4.3888 8.6022 135.0000 56.9891 30.4006 174.2084 81 T 4.2636 7.2636 106.8620 60.4253 70.0532 173.4763 82 T 4.5826 7.6377 111.6010 59.6642 71.6617 172.5339 83 V 4.7870 8.0363 121.7268 61.5229 33.3438 174.6676 84 I 4.4762 8.4303 119.8867 59.1505 40.0437 173.9609 85 E 5.0775 8.5979 124.6604 54.6787 31.6060 175.4581 86 R 4.4484 9.1486 123.1767 54.5311 34.1496 174.4493 87 T 4.9195 7.9425 119.0959 61.9482 71.1734 173.4977 88 F 5.3906 9.2423 123.4723 56.1291 43.8781 173.1311 89 H 5.1612 9.2546 119.1814 54.8830 33.3413 172.4118 90 V 4.7398 7.9231 116.2719 59.5456 35.3152 175.6787 91 E 4.1173 8.6531 120.1568 58.4728 29.8176 178.1749 92 T 4.7759 7.4965 108.0581 58.6160 73.1858 173.0548 93 P 4.3716 0.0000 0.0000 65.6465 31.4609 178.5036 94 E 4.0917 8.1041 118.6323 58.9531 29.5337 178.3187 95 E 3.9190 8.1561 119.4322 59.2510 29.7531 178.6411 96 R 3.8551 8.0991 118.7118 59.7195 30.1460 178.0960 97 E 3.8850 8.5437 119.1384 59.0497 29.5208 178.7370 98 E 3.8487 7.9930 118.7529 58.9936 29.5753 179.0751 99 W 3.9448 8.0555 118.9095 60.1021 29.1236 178.6506 100 T 3.6597 7.6758 115.4209 67.0571 67.8879 176.9373 101 T 3.9039 7.9934 117.1389 66.0426 68.3760 176.9424 102 A 3.8715 7.8837 123.0788 54.9761 18.5280 179.3372 103 I 3.5203 7.6640 118.3862 64.9060 37.2223 178.2143 104 Q 3.9687 7.9682 119.9016 59.6870 28.7329 178.8019 105 T 3.8322 7.7681 116.6862 66.4954 68.1778 176.8131 106 V 3.5631 7.7829 119.9576 65.8489 31.5701 178.0140 107 A 4.0047 8.0340 120.5116 55.3181 18.2732 179.2339 108 D 4.4486 8.3382 117.6624 57.3865 40.3730 179.0553 109 G 3.8104 8.0742 106.2042 48.1280 0.0000 175.4117 110 L 4.2165 7.5601 120.7410 56.3943 41.8635 179.2452 111 K 3.9146 8.5020 120.4069 59.3689 32.1449 178.7509 112 K 3.9546 8.2099 119.9534 59.4864 31.8311 178.6025 113 Q 4.0698 7.5227 118.5936 58.9585 29.0646 177.2426 114 E 4.0763 8.2773 119.8501 59.1509 29.6964 178.2901 115 E 4.1139 7.9698 117.8855 60.2270 29.9900 177.1198 116 E 4.2638 7.6613 117.4698 55.7528 31.8640 177.1072 *117 E 4.1515 8.5709 115.0693 56.8898 30.4852 171.3204 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 S 8.19 4.48 0.00 4.02 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 1 M 7.81 3.86 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 2 S 8.38 4.03 0.00 3.85 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 3 D 7.78 4.72 0.00 2.64 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 4 V 7.81 4.30 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 1.06 0.00 0.00 5 A 7.72 4.67 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 6 I 8.07 4.72 1.89 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 1.28 0.72 0.94 0.00 0.00 7 V 9.40 3.92 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 0.63 0.00 0.00 0.95 0.00 0.00 8 K 7.68 4.61 0.00 1.42 0.91 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.17 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.89 7.81 9 E 9.33 5.20 0.00 2.07 1.91 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 2.20 2.35 0.00 10 G 6.55 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 0.00 0.00 0.00 0.00 11 W 8.33 5.28 0.00 3.29 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 12 L 9.07 4.79 0.00 1.78 1.58 1.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 13 H 9.12 5.41 0.00 3.05 3.42 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.47 4.79 0.00 1.94 1.75 0.00 2.04 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.15 0.59 7.81 15 R 8.45 4.18 0.00 0.95 1.32 0.00 2.54 0.00 0.00 2.76 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 16 G 7.98 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 17 K 8.66 3.83 0.00 1.13 0.74 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.28 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.09 1.21 7.81 18 Y 7.73 4.43 0.00 2.87 2.86 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 19 I 7.53 4.11 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 1.43 1.07 0.89 0.00 0.00 20 K 8.19 4.35 0.00 1.60 1.57 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.22 7.81 21 T 6.97 4.52 4.21 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 1.15 0.00 0.00 22 W 8.54 4.91 0.00 3.15 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 23 R 9.15 5.00 0.00 1.82 1.87 0.00 3.15 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 24 P 0.00 5.22 0.00 2.40 2.16 0.00 3.86 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 2.19 2.10 0.00 25 R 9.38 5.07 0.00 2.17 1.82 0.00 3.26 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 26 Y 8.56 4.03 0.00 1.54 2.40 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 27 F 8.37 5.06 0.00 2.61 2.41 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 28 L 8.75 5.28 0.00 1.69 1.64 1.08 0.76 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 29 L 9.76 5.07 0.00 2.20 1.94 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.82 4.95 0.00 2.02 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 31 N 8.63 4.22 0.00 2.88 2.92 0.00 0.00 7.01 7.38 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 32 D 7.98 4.46 0.00 2.81 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 33 G 8.59 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 0.00 0.00 0.00 34 T 8.51 4.64 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 1.36 0.00 0.00 35 F 9.22 5.57 0.00 2.89 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 36 I 8.40 4.60 1.57 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.83 0.00 0.00 37 G 7.74 2.92 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 38 Y 8.12 4.97 0.00 2.74 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 39 K 9.15 4.00 0.00 1.78 1.94 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.56 7.81 40 E 7.77 5.08 0.00 1.97 1.95 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 2.26 2.23 0.00 41 R 8.48 2.90 0.00 0.81 1.64 0.00 2.24 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.00 42 P 0.00 3.94 0.00 1.61 1.29 0.00 3.12 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.00 43 Q 8.62 3.91 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 44 D 8.31 4.66 0.00 2.75 2.68 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 0.00 0.00 0.00 45 V 8.32 3.68 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 0.94 0.00 0.00 0.91 0.00 0.00 46 D 8.21 4.64 0.00 2.73 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 47 Q 8.76 4.10 0.00 2.26 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 48 R 7.43 4.01 0.00 2.00 2.01 0.00 3.30 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.34 0.00 49 E 7.95 4.52 0.00 2.22 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 2.27 2.41 0.00 50 A 7.75 4.86 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 51 P 0.00 3.83 0.00 1.73 1.28 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 52 L 8.21 4.39 0.00 1.44 1.60 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.30 5.15 0.00 2.37 2.83 0.00 0.00 6.95 6.92 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 54 N 8.68 4.97 0.00 2.56 2.76 0.00 0.00 6.72 7.45 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 55 F 8.37 5.20 0.00 3.17 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 56 S 9.07 5.03 0.00 4.02 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 57 V 8.94 4.69 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 0.88 0.00 0.00 0.89 0.00 0.00 58 A 7.74 4.28 1.25 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 0.00 0.00 59 Q 9.45 3.55 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 60 C 7.74 5.21 0.00 3.01 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 61 Q 9.14 4.71 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 62 L 8.57 5.10 0.00 1.50 1.59 0.88 0.87 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 63 M 9.18 4.96 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 64 K 8.79 5.34 0.00 1.65 1.76 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 65 T 9.21 4.80 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 1.27 0.00 0.00 66 E 8.84 4.82 0.00 2.02 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 2.32 2.26 0.00 67 R 7.74 4.97 0.00 1.78 1.81 0.00 3.38 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 68 P 0.00 4.72 0.00 2.29 2.19 0.00 4.10 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 2.27 1.95 0.00 69 R 7.43 4.70 0.00 1.82 1.59 0.00 2.85 0.00 0.00 2.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 70 P 0.00 4.91 0.00 2.07 2.02 0.00 3.86 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 71 N 8.96 4.38 0.00 3.10 3.09 0.00 0.00 6.92 7.05 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 72 T 7.61 5.00 4.55 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 1.50 0.00 0.00 73 F 9.04 5.58 0.00 3.26 3.12 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 74 I 9.16 5.04 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 1.12 0.77 0.92 0.00 0.00 75 I 9.28 4.84 2.12 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.24 1.20 0.00 0.00 76 R 9.05 5.14 0.00 1.90 1.78 0.00 3.08 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 77 C 8.97 5.35 0.00 3.13 3.02 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 0.00 0.00 0.00 78 L 8.52 4.42 0.00 1.70 1.65 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.69 4.55 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 5.28 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 80 W 8.60 4.39 0.00 3.40 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 81 T 7.26 4.26 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 -0.02 0.00 0.00 82 T 7.64 4.58 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 1.20 0.00 0.00 83 V 8.04 4.79 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 0.88 0.00 0.00 0.92 0.00 0.00 84 I 8.43 4.48 1.71 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.89 0.00 0.00 85 E 8.60 5.08 0.00 1.74 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 2.16 2.23 0.00 86 R 9.15 4.45 0.00 1.62 1.34 0.00 3.01 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.21 0.00 87 T 7.94 4.92 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 1.28 0.00 0.00 88 F 9.24 5.39 0.00 1.51 2.23 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 89 H 9.25 5.16 0.00 2.00 1.84 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.92 4.74 2.38 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 0.91 0.00 0.00 1.16 0.00 0.00 91 E 8.65 4.12 0.00 2.06 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 2.35 2.40 0.00 92 T 7.50 4.78 4.60 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 1.23 0.00 0.00 93 P 0.00 4.37 0.00 2.30 2.38 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 94 E 8.10 4.09 0.00 2.08 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 2.39 2.42 0.00 95 E 8.16 3.92 0.00 2.13 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 0.00 2.45 2.39 0.00 96 R 8.10 3.86 0.00 2.04 2.14 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 97 E 8.54 3.88 0.00 2.11 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 2.28 2.35 0.00 98 E 7.99 3.85 0.00 2.12 1.77 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 2.25 2.50 0.00 99 W 8.06 3.94 0.00 3.34 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 0.00 100 T 7.68 3.66 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 1.18 0.00 0.00 101 T 7.99 3.90 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 1.15 0.00 0.00 102 A 7.88 3.87 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 0.00 103 I 7.66 3.52 1.77 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.93 0.77 0.00 0.00 104 Q 7.97 3.97 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 105 T 7.77 3.83 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 106 V 7.78 3.56 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 1.12 0.00 0.00 0.97 0.00 0.00 107 A 8.03 4.00 1.37 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 0.00 0.00 108 D 8.34 4.45 0.00 2.69 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 0.00 109 G 8.07 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 0.00 110 L 7.56 4.22 0.00 1.71 1.73 0.98 0.91 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 0.00 111 K 8.50 3.91 0.00 1.88 1.80 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.65 7.81 112 K 8.21 3.95 0.00 1.91 2.07 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 113 Q 7.52 4.07 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 114 E 8.28 4.08 0.00 2.11 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 2.33 2.37 0.00 115 E 7.97 4.11 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 2.35 2.59 0.00 116 E 7.66 4.26 0.00 2.01 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 2.32 2.25 0.00 *117 E 8.57 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.