NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3238 8.3044 120.3202 54.5143 34.0690 175.0726 2 V 4.3742 7.6676 117.8648 60.5269 33.7528 173.2636 3 K 4.5634 8.8137 127.8628 54.8899 34.4305 174.9124 4 Q 4.6591 8.6905 126.9571 55.6150 29.9504 174.7511 5 I 4.2741 8.5026 128.2824 59.9872 38.2026 175.6395 6 E 4.7009 8.5034 125.6914 55.0187 30.9274 175.6566 7 S 4.5764 7.5040 112.7825 56.4326 66.6143 175.2288 8 K 4.0052 8.4497 122.7160 59.6941 31.8591 178.8620 9 T 3.8509 7.9668 115.5295 66.6520 68.3893 176.0774 10 A 3.9902 8.2954 122.8488 55.0217 18.3439 179.3139 11 F 3.9559 8.4422 119.1687 61.6622 39.5445 177.4009 12 Q 3.8296 8.4356 117.7483 59.0970 28.4772 178.8042 13 E 3.9494 8.5852 119.6877 59.0557 29.4676 179.3426 14 A 3.8611 8.0873 121.2306 55.1283 18.2271 179.6680 15 L 3.7185 7.1835 116.3164 57.6234 41.8683 179.1688 16 D 4.3479 7.9100 117.6903 57.3488 41.1130 178.2252 17 A 4.0646 7.9514 119.2262 54.4779 18.5793 178.9634 18 A 4.0428 7.9997 118.8992 52.0127 17.7798 178.9575 19 G 3.6466 8.3531 106.0507 47.3471 0.0000 175.3296 20 D 4.6900 8.7634 124.0075 53.7343 41.0645 176.5378 21 K 4.1473 7.8716 119.8882 55.8012 32.7588 176.6082 22 L 4.3068 8.4130 124.6611 55.3259 43.4465 175.5010 23 V 4.6942 8.7983 125.7129 61.0403 34.4022 174.0681 24 V 4.4854 8.6356 128.0781 60.9636 34.0089 174.1819 25 V 4.8089 8.7613 128.1017 61.1547 34.2843 173.6112 26 D 4.3627 8.7365 128.8575 52.8654 42.3140 175.1033 27 F 4.9178 8.7383 127.2247 56.4784 40.3531 175.4645 28 S 4.8808 8.8230 117.8686 56.8413 67.0853 172.3399 29 A 4.6926 7.5986 119.0717 51.0744 21.5423 177.6572 30 T 3.8842 8.4173 109.9107 63.8282 69.3417 175.8048 31 W 4.3579 7.8912 116.7216 57.0374 28.7542 176.8121 32 C 4.5544 7.4326 120.6117 54.8478 42.8174 174.1007 33 G 3.5540 8.4560 115.5635 47.6001 0.0000 172.3640 34 P 4.3155 0.0000 0.0000 65.0135 31.0543 179.5437 35 C 4.2413 7.9261 114.4681 59.9738 38.4239 175.7004 36 K 4.0101 7.9027 119.7155 59.4447 31.3419 178.9851 37 M 4.0555 8.0756 118.7137 58.6427 32.3191 178.1735 38 I 4.2354 7.7771 116.1747 61.4560 38.2887 177.0858 39 K 3.9887 7.7626 120.3279 60.0542 31.9566 176.4294 40 P 4.2975 0.0000 0.0000 65.7410 31.3121 178.3131 41 F 4.2408 8.3709 118.8579 61.1941 39.2521 176.6964 42 F 4.0520 8.8844 120.8018 61.5155 39.2648 176.4760 43 H 3.8933 8.6889 118.4295 59.1729 29.5620 177.1728 44 S 3.9726 8.2312 116.3394 61.5688 62.6447 176.4667 45 L 3.7490 7.2422 122.8532 57.2580 41.0825 179.6077 46 S 3.1837 6.4139 112.5833 60.2244 62.9569 175.6305 47 E 4.1000 7.2007 120.9366 58.0099 29.5740 178.1849 48 K 4.0223 7.7338 119.3653 58.1717 33.5605 177.5043 49 Y 4.5430 8.1692 120.4753 56.5093 36.5881 176.1000 50 S 4.4808 8.1829 117.2060 59.3159 64.1406 175.6279 51 N 4.6462 8.1917 117.3231 53.7447 37.5337 174.6666 52 V 4.4967 7.6184 118.3405 61.3242 34.9020 174.4353 53 I 4.5124 8.4144 127.2763 59.7986 39.6472 174.5584 54 F 5.1782 8.8224 124.6249 55.7111 41.7374 174.2032 55 L 5.3747 9.4224 123.7769 52.8698 45.5912 174.9712 56 E 4.8756 8.7358 122.0687 54.4470 32.4165 174.8183 57 V 4.4270 8.3163 125.9675 61.0295 34.6045 173.4666 58 D 4.9264 8.5351 127.9313 53.2605 41.8784 177.3054 59 V 3.6654 8.7984 120.3348 64.6629 32.1349 178.6242 60 D 4.4631 8.5167 120.0107 57.3530 40.8296 177.5791 61 D 4.4556 7.8280 114.2215 55.7944 40.4595 176.9375 *63 Q 4.5468 8.2888 120.1567 56.0185 31.0353 177.1007 64 D 4.3106 8.1394 117.6024 56.6064 39.0370 178.7341 65 V 3.3408 7.6383 118.1317 65.1236 31.8312 177.0653 66 A 3.8502 7.9740 119.9311 55.2771 17.9458 179.4211 67 S 4.0082 8.0052 110.1769 61.3755 62.6246 177.9668 68 E 4.1387 8.1724 119.7837 56.0859 29.5180 177.1003 *70 E 4.0886 8.1466 115.5899 56.0133 31.0457 176.6115 71 V 3.5834 7.4852 118.6118 62.7715 32.0451 175.5500 72 K 4.5784 8.4317 123.3875 55.8054 34.2105 175.4794 73 C 5.0072 7.4991 114.8980 57.9757 31.9102 173.2247 74 M 4.5566 8.3246 119.9682 52.8847 34.6483 173.9770 75 P 4.5353 0.0000 0.0000 62.7028 33.6296 175.0119 76 T 4.7950 8.0744 116.9504 61.7472 71.9171 172.9521 77 F 4.9658 8.4719 124.9486 55.8150 41.2082 174.9220 78 Q 5.2263 8.8716 121.9965 54.0745 32.7852 174.5248 79 F 5.2926 8.6640 119.5585 55.8521 43.0097 174.1158 80 F 5.4467 9.4658 121.1003 55.8299 43.6397 174.2408 81 K 4.7523 8.9358 120.1701 55.3604 36.4475 176.8796 82 K 3.6812 9.0667 122.5037 57.6187 30.1272 176.4172 83 G 3.9569 8.5234 104.0850 45.6017 0.0000 173.6142 84 Q 4.7628 7.8876 118.9027 53.4837 31.1501 174.8432 85 K 4.0702 8.8058 123.6109 56.4881 32.4246 176.6523 86 V 4.3082 8.1312 119.2739 60.7950 32.9272 175.7045 87 G 4.2072 7.5644 106.4570 46.0598 0.0000 172.3155 88 E 5.8357 8.7733 115.8084 55.5961 31.9249 174.5509 89 F 5.3189 9.0022 116.8584 55.7625 42.1131 172.9534 90 S 5.1542 9.2008 113.2292 57.2399 65.6738 174.3358 91 G 4.1114 9.1810 108.3348 45.6668 0.0000 174.4643 92 A 4.5217 8.3132 124.9308 50.8206 17.4387 178.3971 93 N 4.7936 7.9278 119.9768 51.0994 40.3752 174.2777 94 K 3.9671 8.2649 128.3036 59.3093 32.1806 178.7901 95 E 3.9299 8.0379 119.1130 59.0946 29.6288 178.5620 96 K 3.7007 8.4822 119.8876 59.1592 32.2860 178.5417 97 L 4.3520 8.1206 120.6713 58.4808 42.1548 178.6821 98 E 4.0601 8.5778 119.0433 59.1467 29.4575 178.4745 99 A 4.0698 8.3991 120.9743 54.7979 18.4373 179.8656 100 T 3.6809 7.9602 114.8489 66.6526 68.5812 176.9415 101 I 3.6127 7.5043 121.3598 64.6823 36.9302 178.2788 102 N 4.3924 7.9606 115.5540 55.7894 38.4001 176.8362 103 E 4.0308 7.5949 120.4690 58.4922 29.7552 177.8493 104 L 4.3487 7.3650 117.7626 55.8467 42.5121 176.9050 105 V 3.7697 7.6301 122.2666 62.0076 31.1566 175.7369 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 M 8.30 4.32 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 2 V 7.67 4.37 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 1.08 0.00 0.00 0.88 0.00 0.00 3 K 8.81 4.56 0.00 1.85 1.72 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.43 7.81 4 Q 8.69 4.66 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 5 I 8.50 4.27 1.98 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 1.25 1.08 1.05 0.00 0.00 6 E 8.50 4.70 0.00 1.90 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 2.19 2.19 0.00 7 S 7.50 4.58 0.00 4.00 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 8 K 8.45 4.01 0.00 1.84 1.86 0.00 2.03 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.56 7.81 9 T 7.97 3.85 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 1.22 0.00 0.00 10 A 8.30 3.99 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 11 F 8.44 3.96 0.00 3.16 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 12 Q 8.44 3.83 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 13 E 8.59 3.95 0.00 1.99 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 2.30 2.50 0.00 14 A 8.09 3.86 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 15 L 7.18 3.72 0.00 1.47 1.50 0.12 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.91 4.35 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 17 A 7.95 4.06 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 18 A 8.00 4.04 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 19 G 8.35 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 20 D 8.76 4.69 0.00 2.68 2.71 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 21 K 7.87 4.15 0.00 1.79 1.73 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.51 7.81 22 L 8.41 4.31 0.00 1.77 1.50 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.80 4.69 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.91 0.00 0.00 24 V 8.64 4.49 1.52 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 0.89 0.00 0.00 0.75 0.00 0.00 25 V 8.76 4.81 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 0.26 0.00 0.00 1.12 0.00 0.00 26 D 8.74 4.36 0.00 1.58 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 0.00 0.00 0.00 27 F 8.74 4.92 0.00 2.86 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 28 S 8.82 4.88 0.00 3.62 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 0.00 29 A 7.60 4.69 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.42 3.88 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 1.19 0.00 0.00 31 W 7.89 4.36 0.00 3.50 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 32 C 7.43 4.55 0.00 1.79 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 33 G 8.46 3.55 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 0.00 34 P 0.00 4.32 0.00 2.18 2.16 0.00 3.58 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 2.14 2.21 0.00 35 C 7.93 4.24 0.00 2.96 2.97 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 36 K 7.90 4.01 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.57 7.81 37 M 8.08 4.06 0.00 2.00 2.33 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 2.86 2.60 0.00 38 I 7.78 4.24 2.04 0.00 0.00 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 1.76 1.84 1.24 0.00 0.00 39 K 7.76 3.99 0.00 1.91 2.05 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.58 7.81 40 P 0.00 4.30 0.00 2.30 2.15 0.00 3.92 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 2.18 2.19 0.00 41 F 8.37 4.24 0.00 3.19 3.36 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 42 F 8.88 4.05 0.00 3.38 3.31 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 43 H 8.69 3.89 0.00 3.38 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.23 3.97 0.00 3.97 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 0.00 45 L 7.24 3.75 0.00 1.14 1.57 0.87 0.56 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 46 S 6.41 3.18 0.00 3.62 2.88 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 47 E 7.20 4.10 0.00 1.94 1.93 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 2.18 2.25 0.00 48 K 7.73 4.02 0.00 1.55 1.71 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.04 7.81 49 Y 8.17 4.54 0.00 3.32 3.01 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 50 S 8.18 4.48 0.00 3.99 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 51 N 8.19 4.65 0.00 2.91 3.03 0.00 0.00 5.77 7.68 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 52 V 7.62 4.50 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 0.25 0.00 0.00 0.92 0.00 0.00 53 I 8.41 4.51 1.79 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 1.22 0.41 0.88 0.00 0.00 54 F 8.82 5.18 0.00 2.82 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 55 L 9.42 5.37 0.00 1.52 1.52 0.78 0.60 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 56 E 8.74 4.88 0.00 2.09 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 2.08 2.17 0.00 57 V 8.32 4.43 1.20 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 0.90 0.00 0.00 0.60 0.00 0.00 58 D 8.54 4.93 0.00 2.71 2.71 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 59 V 8.80 3.67 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 0.85 0.00 0.00 0.96 0.00 0.00 60 D 8.52 4.46 0.00 2.87 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 61 D 7.83 4.46 0.00 2.82 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 *63 Q 8.29 4.55 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 64 D 8.14 4.31 0.00 3.09 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 65 V 7.64 3.34 1.93 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 0.13 0.00 0.00 0.75 0.00 0.00 66 A 7.97 3.85 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 67 S 8.01 4.01 0.00 3.82 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 68 E 8.17 4.14 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 2.34 2.51 0.00 *70 E 8.15 4.09 0.00 1.93 1.97 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 2.18 2.29 0.00 71 V 7.49 3.58 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 0.50 0.00 0.00 -0.18 0.00 0.00 72 K 8.43 4.58 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.50 7.81 73 C 7.50 5.01 0.00 2.76 2.80 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 74 M 8.32 4.56 0.00 1.45 1.74 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.44 0.00 75 P 0.00 4.54 0.00 1.46 1.90 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 76 T 8.07 4.79 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 1.12 0.00 0.00 77 F 8.47 4.97 0.00 2.18 2.52 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 78 Q 8.87 5.23 0.00 2.36 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 79 F 8.66 5.29 0.00 2.90 2.88 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 80 F 9.47 5.45 0.00 2.94 2.91 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 81 K 8.94 4.75 0.00 1.70 1.68 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.45 7.81 82 K 9.07 3.68 0.00 1.90 1.88 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.38 7.81 83 G 8.52 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.89 4.76 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 85 K 8.81 4.07 0.00 1.78 1.71 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 0.94 7.81 86 V 8.13 4.31 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 0.99 0.00 0.00 87 G 7.56 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 0.00 0.00 0.00 0.00 88 E 8.77 5.84 0.00 2.03 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 2.15 2.30 0.00 89 F 9.00 5.32 0.00 3.22 3.25 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 90 S 9.20 5.15 0.00 4.00 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 91 G 9.18 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 92 A 8.31 4.52 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 93 N 7.93 4.79 0.00 2.85 2.80 0.00 0.00 7.06 6.91 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 94 K 8.26 3.97 0.00 1.43 0.74 0.00 1.36 0.00 0.00 0.71 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.30 7.81 95 E 8.04 3.93 0.00 1.98 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 2.34 2.35 0.00 96 K 8.48 3.70 0.00 1.67 1.59 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.90 7.81 97 L 8.12 4.35 0.00 2.09 2.10 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.58 4.06 0.00 2.41 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 0.00 2.47 2.52 0.00 99 A 8.40 4.07 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 0.00 100 T 7.96 3.68 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 0.21 0.00 0.00 101 I 7.50 3.61 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.39 0.00 0.00 102 N 7.96 4.39 0.00 2.68 2.88 0.00 0.00 7.05 7.21 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 0.00 103 E 7.59 4.03 0.00 1.99 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 2.42 0.00 104 L 7.36 4.35 0.00 1.64 1.65 0.56 0.84 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 0.00 105 V 7.63 3.77 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 0.63 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.