NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6397 8.1633 118.3326 55.1527 33.1888 174.1610 2 K 4.7771 9.4395 122.1174 53.4799 36.6046 173.1922 3 L 5.0310 9.5655 124.7960 53.6249 45.0295 174.7622 4 I 4.8254 8.9257 128.7007 59.8956 39.2553 174.9869 5 V 4.8483 8.6356 127.9285 61.2192 33.4718 174.0844 6 A 5.2971 8.9048 130.1577 50.1965 22.0469 174.5817 7 I 4.8813 9.0915 123.7192 59.8774 39.3272 175.4577 8 V 5.1675 8.6305 119.5639 57.9276 36.6785 175.5571 9 R 4.3406 8.4088 120.4482 55.5767 30.9363 176.2315 10 P 4.2631 0.0000 0.0000 65.8810 31.2142 178.8666 11 E 4.0038 8.2636 114.1824 58.8003 29.0125 178.1425 12 K 4.4639 7.5683 117.1032 56.1129 32.2981 177.7594 13 L 3.9858 7.9425 122.7033 58.4962 41.9290 178.6069 14 N 4.2861 8.1738 115.5744 56.6722 38.5629 177.1042 15 E 3.9714 8.1763 119.2312 59.1957 29.5107 179.5549 16 V 3.5781 7.4600 117.7309 66.0817 31.7417 177.9220 17 L 4.0899 8.1716 118.9451 57.9082 41.3969 179.9789 18 K 4.0644 8.4214 118.1467 59.6249 32.1238 179.3125 19 A 4.0992 7.9963 120.9270 55.1236 18.2339 179.6681 20 L 4.0438 8.7299 118.0409 57.6272 41.6291 179.1641 21 F 4.2649 8.2505 120.7739 61.6448 39.0995 177.2855 22 Q 3.3045 7.8334 116.1178 58.1705 28.5903 177.6749 23 A 4.1727 7.5400 118.9854 52.4043 18.2751 177.2763 24 E 3.7217 7.5166 115.8243 57.0464 27.3672 174.6722 25 V 3.8453 7.6995 118.5914 62.9319 32.0111 175.9333 26 R 4.6791 8.3779 123.2038 55.3703 31.6842 175.3732 27 G 4.1218 7.5706 105.9397 44.5150 0.0000 172.7114 28 L 4.7221 7.8857 122.3890 55.3086 42.7899 173.6866 29 T 4.9490 8.3794 110.4119 60.0107 72.1769 172.6343 30 L 5.3976 8.2844 121.6079 54.8204 43.8771 174.9929 31 S 4.6880 8.7061 113.6135 57.5469 66.8279 173.1486 32 R 4.8701 8.4503 119.8705 55.7267 31.3506 176.1303 33 V 4.6241 8.9532 115.6050 60.0152 37.1224 173.9947 34 Q 5.5331 7.9821 119.3988 53.3769 31.3585 176.4323 35 G 4.0332 8.7094 111.7794 46.5048 0.0000 170.9211 36 H 5.0273 8.3366 117.9268 55.1728 32.5114 172.8418 *54 E 3.9950 8.3417 122.4472 56.0596 29.0580 174.6233 55 L 4.7396 7.9174 124.0543 53.9183 43.3741 176.0520 56 H 5.0142 8.3814 116.8886 53.8427 33.4413 172.2553 57 E 4.4742 8.8226 122.4230 56.1613 30.1945 175.9225 58 K 4.8434 9.0033 124.9637 55.1051 37.5605 174.8992 59 V 4.6417 9.1268 122.9742 61.3373 33.9139 174.3676 60 R 4.8817 9.2023 129.1754 55.0449 31.5596 174.7648 61 L 5.1056 9.1428 127.1794 53.3730 44.7851 175.9270 62 E 4.9642 9.2027 122.7772 55.0570 32.4989 173.5563 63 I 4.7082 8.8212 128.5385 59.2852 40.0980 175.0493 64 G 4.3447 8.6989 114.4066 45.0582 0.0000 173.3098 65 V 4.7839 8.6293 118.7335 59.3532 36.1853 175.3894 66 S 4.6929 8.7820 117.6440 58.3479 64.7051 175.5919 67 E 3.8515 8.6218 121.7850 59.2804 29.6405 177.9560 68 P 4.2079 0.0000 0.0000 65.2760 31.6248 177.2332 69 F 4.4288 8.9180 115.0775 57.6282 39.6740 177.7837 70 V 3.5928 7.6496 120.9967 65.7169 31.1313 177.2697 71 K 3.8057 8.0729 118.5213 59.5299 32.1274 176.9486 72 P 5.0465 0.0000 0.0000 65.2757 31.3476 178.7120 73 T 4.0574 7.9510 114.8567 66.3097 68.3895 177.2352 74 V 3.6591 7.9394 120.3241 65.7790 31.5023 178.0753 75 E 3.9087 8.0217 118.4450 59.3837 29.4919 179.0980 76 A 4.0430 7.8714 120.2928 55.0503 18.3409 179.9057 77 I 3.6878 7.6766 117.8665 64.4612 37.1992 178.2268 78 L 3.9230 7.9797 119.9690 57.8588 41.2926 179.4378 79 K 3.8607 8.0342 117.6010 59.7695 32.2665 178.3923 80 A 4.1057 7.8302 118.8976 54.3424 18.3853 178.4115 81 A 4.4618 8.3714 117.0407 51.2525 20.1124 177.0565 82 R 4.3383 7.2967 119.0496 55.9962 30.6768 176.0847 83 T 4.4871 9.2176 113.4412 60.4457 70.5350 173.4838 84 G 4.1935 8.7612 110.6480 46.2180 0.0000 173.9870 85 E 4.2442 7.1348 117.3874 55.2921 30.1975 176.9989 86 V 3.6817 7.9133 113.6668 62.9649 31.5763 176.7910 87 G 3.9173 8.8272 110.7861 46.0426 0.0000 175.2924 88 D 4.2987 8.0469 121.9649 55.5192 41.1360 175.2344 89 G 4.2565 7.1969 99.2638 44.6886 0.0000 172.2829 90 K 4.6506 8.3547 115.8421 54.6659 37.0280 175.5956 91 I 4.9179 7.8725 121.3176 59.6845 40.1068 175.1291 92 F 4.9596 9.5576 125.5244 55.6159 42.4571 174.6553 93 V 4.8538 8.4693 120.3525 61.2863 33.8279 174.5835 94 L 4.9931 8.9984 127.3817 52.1452 45.5903 174.1504 95 P 4.6931 0.0000 0.0000 62.4985 32.2045 175.9348 96 V 4.3273 7.7105 122.5298 61.2871 33.3392 175.1731 97 E 4.0809 9.0696 129.0439 58.7391 29.8956 176.5067 98 K 4.6032 7.4046 114.3349 54.9663 36.3918 175.1790 99 V 4.3374 7.8273 120.1635 61.2948 34.6798 173.7922 100 Y 5.2239 8.4629 124.4766 56.0876 40.9420 175.0100 101 R 4.1367 8.7415 125.8084 55.9855 30.7264 177.2740 102 I 3.6941 8.6753 127.9067 64.5615 37.5846 177.1038 103 R 4.0493 8.2088 118.8875 59.3677 29.7961 176.8706 104 T 4.2698 8.1099 111.5203 63.0979 69.9257 175.8102 105 G 4.0282 8.7326 109.1473 44.7637 0.0000 173.5082 106 E 4.1518 7.8406 118.2785 56.0296 30.6757 176.0535 107 E 4.5124 8.7144 121.7889 56.5515 32.1945 179.8888 108 D 4.0064 8.7160 123.2033 54.6610 41.9800 176.8093 109 E 3.5846 9.3578 128.9406 60.4103 29.3558 177.9015 110 A 4.1040 7.9059 119.5841 53.7618 18.5716 177.5820 111 A 4.7535 8.6107 119.7336 51.0497 19.5554 176.8008 112 V 4.1903 7.4778 118.4680 64.3252 34.5431 174.3346 113 T 3.6873 8.5577 122.7174 64.2006 68.2854 171.7050 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 8.16 4.64 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 2 K 9.44 4.78 0.00 1.76 1.74 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.63 7.81 3 L 9.57 5.03 0.00 1.73 1.51 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.93 4.83 1.91 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 1.15 0.60 0.96 0.00 0.00 5 V 8.64 4.85 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 0.90 0.00 0.00 0.94 0.00 0.00 6 A 8.90 5.30 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 7 I 9.09 4.88 1.95 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 1.44 1.11 0.97 0.00 0.00 8 V 8.63 5.17 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 0.94 0.00 0.00 0.99 0.00 0.00 9 R 8.41 4.34 0.00 1.88 2.19 0.00 3.14 0.00 0.00 3.60 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 10 P 0.00 4.26 0.00 2.16 2.11 0.00 3.62 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 2.13 2.16 0.00 11 E 8.26 4.00 0.00 2.12 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 0.00 2.28 2.36 0.00 12 K 7.57 4.46 0.00 1.82 1.85 0.00 1.98 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.38 1.56 7.81 13 L 7.94 3.99 0.00 1.85 1.72 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.17 4.29 0.00 2.85 2.87 0.00 0.00 6.96 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 15 E 8.18 3.97 0.00 2.02 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 2.41 2.38 0.00 16 V 7.46 3.58 2.26 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 1.06 0.00 0.00 0.98 0.00 0.00 17 L 8.17 4.09 0.00 1.89 1.76 0.93 1.07 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 18 K 8.42 4.06 0.00 2.09 1.97 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.68 7.81 19 A 8.00 4.10 1.43 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 0.00 0.00 0.00 20 L 8.73 4.04 0.00 1.87 1.77 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.25 4.26 0.00 3.13 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 22 Q 7.83 3.30 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.02 2.29 0.00 23 A 7.54 4.17 1.42 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 24 E 7.52 3.72 0.00 2.31 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 2.22 2.43 0.00 25 V 7.70 3.85 2.26 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 0.77 0.00 0.00 0.99 0.00 0.00 26 R 8.38 4.68 0.00 1.73 1.85 0.00 3.39 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 27 G 7.57 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 0.00 0.00 0.00 28 L 7.89 4.72 0.00 1.60 1.61 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.38 4.95 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 30 L 8.28 5.40 0.00 1.60 1.63 0.93 0.55 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 31 S 8.71 4.69 0.00 3.91 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 32 R 8.45 4.87 0.00 1.72 1.90 0.00 3.33 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 33 V 8.95 4.62 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 0.75 0.00 0.00 1.03 0.00 0.00 34 Q 7.98 5.53 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 35 G 8.71 4.03 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 0.00 0.00 0.00 36 H 8.34 5.03 0.00 3.12 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 E 8.34 3.99 0.00 1.93 1.81 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 2.19 2.36 0.00 55 L 7.92 4.74 0.00 1.64 1.56 1.04 1.09 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 56 H 8.38 5.01 0.00 3.06 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.82 4.47 0.00 1.98 1.88 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 2.30 2.42 0.00 58 K 9.00 4.84 0.00 1.71 1.65 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.57 7.81 59 V 9.13 4.64 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 1.03 0.00 0.00 0.95 0.00 0.00 60 R 9.20 4.88 0.00 1.90 1.81 0.00 3.13 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 61 L 9.14 5.11 0.00 1.72 1.57 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.20 4.96 0.00 2.00 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 2.20 2.29 0.00 63 I 8.82 4.71 1.89 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 1.19 0.44 0.96 0.00 0.00 64 G 8.70 4.34 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 0.00 65 V 8.63 4.78 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 0.83 0.00 0.00 0.99 0.00 0.00 66 S 8.78 4.69 0.00 3.94 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 67 E 8.62 3.85 0.00 2.07 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 2.43 2.35 0.00 68 P 0.00 4.21 0.00 2.29 2.09 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 69 F 8.92 4.43 0.00 3.08 3.11 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 70 V 7.65 3.59 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 1.02 0.00 0.00 1.03 0.00 0.00 71 K 8.07 3.81 0.00 1.88 1.78 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.60 7.81 72 P 0.00 5.05 0.00 2.14 1.99 0.00 4.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 73 T 7.95 4.06 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 1.25 0.00 0.00 74 V 7.94 3.66 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 1.09 0.00 0.00 0.94 0.00 0.00 75 E 8.02 3.91 0.00 2.15 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 2.31 2.59 0.00 76 A 7.87 4.04 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 77 I 7.68 3.69 2.02 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 1.54 0.89 0.92 0.00 0.00 78 L 7.98 3.92 0.00 1.82 1.72 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.03 3.86 0.00 1.73 1.84 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 80 A 7.83 4.11 1.44 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 0.00 0.00 81 A 8.37 4.46 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 82 R 7.30 4.34 0.00 1.80 1.83 0.00 3.20 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 83 T 9.22 4.49 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 84 G 8.76 4.19 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 0.00 85 E 7.13 4.24 0.00 1.80 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 0.00 2.33 2.27 0.00 86 V 7.91 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 0.67 0.00 0.00 0.90 0.00 0.00 87 G 8.83 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 88 D 8.05 4.30 0.00 2.70 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 89 G 7.20 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 90 K 8.35 4.65 0.00 1.41 1.08 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.40 7.81 91 I 7.87 4.92 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 0.91 0.00 0.00 92 F 9.56 4.96 0.00 2.96 2.94 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 93 V 8.47 4.85 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 94 L 9.00 4.99 0.00 1.58 1.51 0.88 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 95 P 0.00 4.69 0.00 1.94 1.98 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 96 V 7.71 4.33 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 0.76 0.00 0.00 1.01 0.00 0.00 97 E 9.07 4.08 0.00 1.95 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 2.30 2.39 0.00 98 K 7.40 4.60 0.00 1.44 1.13 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.42 7.81 99 V 7.83 4.34 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 0.74 0.00 0.00 0.89 0.00 0.00 100 Y 8.46 5.22 0.00 2.84 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 0.00 101 R 8.74 4.14 0.00 1.98 1.83 0.00 3.15 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 102 I 8.68 3.69 1.89 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 1.32 0.68 0.91 0.00 0.00 103 R 8.21 4.05 0.00 1.77 2.00 0.00 3.21 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 104 T 8.11 4.27 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 0.00 105 G 8.73 4.03 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 0.00 0.00 0.00 106 E 7.84 4.15 0.00 2.18 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 2.39 2.34 0.00 107 E 8.71 4.51 0.00 2.06 1.80 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 2.06 1.74 0.00 108 D 8.72 4.01 0.00 2.70 1.88 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 0.00 109 E 9.36 3.58 0.00 1.91 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 2.32 2.37 0.00 110 A 7.91 4.10 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 0.00 111 A 8.61 4.75 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 0.00 112 V 7.48 4.19 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 0.63 0.00 0.00 0.89 0.00 0.00 113 T 8.56 3.69 4.10 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 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.