NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3952 8.2931 120.3247 55.0026 33.3356 175.2146 2 G 3.5934 8.4512 112.4730 43.6727 0.0000 170.2114 3 P 4.2789 0.0000 0.0000 62.2474 32.6107 174.8070 4 V 3.7977 7.9543 112.6016 60.3212 32.0997 175.5904 5 P 4.3637 0.0000 0.0000 61.6973 33.1401 175.8703 6 P 4.0031 0.0000 0.0000 66.2450 31.4101 178.7943 7 S 3.0875 7.2700 114.2067 60.8408 62.7132 176.4308 8 T 3.8757 7.6914 118.5748 66.2169 68.2845 176.4041 9 A 4.0298 7.9448 122.7969 54.9602 18.3166 179.4297 10 L 3.9777 8.1598 118.8243 58.5039 42.1787 179.3977 11 R 3.7907 7.9324 117.7876 59.3710 30.0322 178.9372 12 E 3.9594 8.4316 118.4628 59.2006 29.3734 179.2669 13 L 3.9949 8.4457 120.7805 58.1404 42.1924 178.9966 14 I 3.6806 8.4838 120.3037 64.5570 37.0911 178.2431 15 E 3.9381 8.3637 119.5401 59.4116 29.2826 179.1906 16 E 3.9501 8.1823 119.1901 59.2285 29.5788 178.8093 17 L 4.0247 8.1435 119.2328 57.8122 41.6347 179.7270 18 V 3.6085 8.0291 118.2914 65.9947 31.1106 177.7867 19 N 4.3331 8.2299 116.5932 56.2691 38.2006 177.1749 20 I 3.6894 7.5824 112.6557 63.0132 38.3062 177.3358 21 T 4.3276 7.5989 110.9305 63.1828 69.1353 176.9104 22 Q 4.1610 8.1702 120.7354 58.1514 28.8109 176.4563 23 N 4.7655 7.3596 114.6263 52.7491 38.8388 174.5789 24 Q 4.2522 7.4606 116.9467 55.3794 29.3455 176.0235 25 K 4.0639 8.7291 124.2766 58.2948 32.7098 176.0647 26 A 4.7368 7.4635 118.4447 49.1567 22.3469 173.2553 27 P 4.1965 0.0000 0.0000 63.0799 31.8895 176.8837 28 L 4.0631 8.6799 122.7972 58.0028 41.7156 178.5358 29 C 4.6774 7.7770 113.8535 55.7948 39.9988 174.1131 30 N 4.4965 8.3621 118.0433 53.3868 36.7752 176.7190 31 G 3.7573 8.1678 101.8608 46.2675 0.0000 173.9989 32 S 4.2574 7.3754 113.1584 58.7952 63.7170 173.5081 33 M 4.8141 8.4828 122.5996 53.8462 34.9028 175.2997 34 V 4.4573 8.6490 113.5984 58.9296 36.1283 175.1314 35 W 4.6005 8.6985 122.4745 56.5288 29.5427 176.7241 36 S 4.7193 8.3987 119.3239 58.4416 63.3016 173.4852 37 I 4.7522 8.1848 113.7746 58.9751 40.6277 174.3367 38 N 4.4916 8.5282 118.8378 52.4669 39.0172 175.4103 39 L 4.0742 8.3087 124.0102 54.3805 41.1038 176.0202 40 T 4.6802 7.9130 112.6568 59.7095 72.1463 175.4591 41 A 3.8965 8.2280 124.5208 54.8375 19.0424 178.6682 42 G 4.1791 7.8821 102.4192 45.2626 0.0000 176.1858 43 M 3.9815 8.1631 122.7823 58.3410 32.1604 177.7803 44 Y 3.9850 7.9631 116.2237 61.2538 38.0635 179.4068 45 C 4.3475 8.3373 116.5998 59.9670 35.1518 175.8281 46 A 4.4792 8.5030 123.5764 54.7627 18.0800 179.4965 47 A 4.2231 8.7449 120.0443 55.1745 18.4124 179.5440 48 L 3.9444 8.1310 119.0605 58.3531 42.2590 179.0089 49 E 4.0106 8.0524 117.1578 59.7288 29.4271 179.2378 50 S 4.2834 8.0040 115.9744 61.4183 62.4927 176.7391 51 L 3.9313 7.8951 121.5347 57.5238 41.1646 179.1748 52 I 3.6880 7.6869 118.7862 63.8159 37.1956 177.1344 53 N 4.7862 7.9449 115.7131 53.2960 38.7744 174.9166 54 V 4.1673 8.3680 121.6831 61.4123 32.3535 175.1585 55 S 4.6899 8.5280 122.4567 57.8847 66.2813 174.5385 56 G 3.8609 9.0812 111.2762 45.4468 0.0000 174.4405 57 C 4.5933 7.6957 117.6348 55.4663 37.5719 174.0720 58 S 4.1361 8.5733 120.1415 61.1714 61.9088 175.2195 59 A 4.1474 8.1104 122.3954 54.6360 18.2292 178.3763 60 I 4.2719 7.3882 109.2765 61.0731 38.2891 177.5061 61 E 3.9798 8.4049 122.2963 59.7735 29.2669 179.1843 62 K 4.0332 8.0368 117.9220 59.7591 32.1306 179.3100 63 T 3.9240 7.8523 115.5220 66.7548 68.4316 176.4156 64 Q 4.0638 8.5376 120.3336 58.9158 28.7743 178.9466 65 R 3.9172 8.1038 119.5722 59.7987 29.9732 178.4676 66 M 4.1756 8.0992 117.2247 58.4880 32.2900 178.4440 67 L 4.5033 8.5849 119.5643 58.0557 41.7428 179.7004 68 S 4.4684 8.4564 115.2885 61.6522 62.5528 176.7964 69 G 3.6723 7.9284 107.3450 47.5702 0.0000 174.7655 70 F 4.4897 8.0840 117.3883 57.3391 39.8031 175.5957 71 C 4.8733 8.4814 116.4398 54.6194 41.7585 174.4232 72 P 4.5008 0.0000 0.0000 61.9336 30.0934 177.0249 73 H 4.3955 9.7746 120.0062 54.8623 28.9450 175.1738 74 K 4.2128 8.2485 127.6801 55.5772 30.6263 175.9501 75 V 4.1155 7.9279 122.6861 61.0545 33.1983 175.3289 76 S 4.5943 8.0200 120.4681 56.2581 64.0258 174.4057 77 A 4.0984 8.5453 126.7598 53.7504 18.1948 178.3736 78 G 3.9478 7.6909 104.1796 45.8422 0.0000 174.3727 79 Q 4.2700 7.2850 118.5534 54.5718 29.7870 175.0626 80 F 4.9438 8.4423 120.2746 55.9387 42.8920 174.1334 81 S 4.5625 9.2448 118.0958 60.1138 65.1331 175.3441 82 S 4.3967 9.3313 113.2664 58.6541 62.5918 174.2821 83 L 4.2476 7.7591 118.8209 56.0796 41.4889 177.9696 84 H 4.3754 8.0216 118.9447 58.7793 28.8908 177.2332 85 V 3.8643 7.4797 110.9603 61.3350 32.5219 177.0156 86 R 4.2968 8.1536 123.4906 55.1936 28.5078 175.2265 87 D 4.7996 7.7137 120.0660 53.5822 42.7260 176.2624 88 T 4.4632 8.0824 109.9782 61.0030 70.9225 174.2258 89 K 4.5652 8.0292 121.6721 55.5847 33.6115 176.0727 90 I 4.7122 8.6060 115.5293 58.6602 41.6816 174.7556 91 E 4.2527 8.6212 122.2375 56.3001 30.1991 178.5321 92 V 3.6210 8.2619 122.3933 66.1356 31.3895 178.2784 93 A 4.0072 8.0769 120.0165 55.4944 18.0781 179.2470 94 Q 3.9637 8.0596 117.3295 58.8021 29.1798 177.7759 95 F 3.9665 8.2722 121.9760 61.2666 39.4729 177.2399 96 V 3.6451 8.2423 117.8916 65.9183 31.0699 178.0347 97 K 3.9007 7.8147 118.0460 59.6891 31.1037 178.9974 98 D 4.2886 8.2142 119.3231 57.3402 40.7174 178.7461 99 L 3.9905 7.7331 120.8318 57.7242 41.8577 178.5618 100 L 3.9064 8.1659 120.9039 58.1598 41.6774 178.9751 101 L 3.9617 7.5740 118.5710 58.2324 41.5982 179.3233 102 H 4.0981 7.7218 116.4840 58.5619 28.3682 177.5834 103 L 3.9501 7.7476 120.2291 57.9371 41.7455 179.7090 104 K 4.1945 7.8948 118.2203 59.2486 32.4369 179.1184 105 K 4.0093 7.6402 121.4252 59.6499 32.1904 178.7677 106 L 3.9523 7.9030 119.0500 57.5103 41.1853 179.2372 107 F 4.1198 7.6974 118.8255 61.3565 39.3719 176.9667 108 R 3.9644 7.7199 116.3420 59.0709 30.0246 178.2059 109 E 4.1877 8.0258 116.2435 55.8743 29.6489 177.8786 110 G 3.5349 7.2352 106.3862 45.7577 0.0000 174.5386 111 R 4.1121 6.7377 118.0977 54.6124 28.9258 176.2933 112 F 4.4961 8.1521 123.6956 57.0025 40.5310 176.7558 *113 N 4.6861 8.8538 118.0080 52.8234 38.1325 175.0624 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 8.29 4.40 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 G 8.45 3.59 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 0.00 0.00 0.00 3 P 0.00 4.28 0.00 2.00 2.00 0.00 3.91 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 4 V 7.95 3.80 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 0.67 0.00 0.00 0.86 0.00 0.00 5 P 0.00 4.36 0.00 2.06 1.94 0.00 3.56 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 2.08 2.12 0.00 6 P 0.00 4.00 0.00 1.92 2.20 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 7 S 7.27 3.09 0.00 4.16 3.73 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 8 T 7.69 3.88 4.33 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 1.24 0.00 0.00 9 A 7.94 4.03 1.47 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 0.00 0.00 10 L 8.16 3.98 0.00 2.03 2.02 1.00 1.35 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 11 R 7.93 3.79 0.00 2.05 1.90 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.74 0.00 12 E 8.43 3.96 0.00 2.21 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 2.34 2.50 0.00 13 L 8.45 3.99 0.00 1.90 1.87 1.01 1.13 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 14 I 8.48 3.68 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 0.87 0.00 0.00 15 E 8.36 3.94 0.00 2.05 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 2.43 0.00 16 E 8.18 3.95 0.00 2.21 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 2.33 2.41 0.00 17 L 8.14 4.02 0.00 1.91 1.72 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.03 3.61 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 0.98 0.00 0.00 0.97 0.00 0.00 19 N 8.23 4.33 0.00 2.99 2.86 0.00 0.00 6.80 7.41 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 20 I 7.58 3.69 1.88 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 1.84 0.59 0.96 0.00 0.00 21 T 7.60 4.33 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 1.29 0.00 0.00 22 Q 8.17 4.16 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.10 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 23 N 7.36 4.77 0.00 2.72 2.83 0.00 0.00 7.06 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 24 Q 7.46 4.25 0.00 2.20 2.36 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 2.35 2.47 0.00 25 K 8.73 4.06 0.00 1.74 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 26 A 7.46 4.74 1.19 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 27 P 0.00 4.20 0.00 2.20 2.04 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 28 L 8.68 4.06 0.00 1.64 1.74 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.78 4.68 0.00 2.94 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 30 N 8.36 4.50 0.00 2.74 2.80 0.00 0.00 6.74 8.68 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 31 G 8.17 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 0.00 0.00 0.00 32 S 7.38 4.26 0.00 3.74 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 33 M 8.48 4.81 0.00 1.76 1.76 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 34 V 8.65 4.46 1.87 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 0.55 0.00 0.00 0.66 0.00 0.00 35 W 8.70 4.60 0.00 3.18 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 36 S 8.40 4.72 0.00 3.96 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 37 I 8.18 4.75 1.93 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 0.72 1.19 0.00 0.00 38 N 8.53 4.49 0.00 2.73 2.79 0.00 0.00 6.99 7.87 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 39 L 8.31 4.07 0.00 1.32 0.99 0.62 0.73 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 40 T 7.91 4.68 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 1.24 0.00 0.00 41 A 8.23 3.90 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 42 G 7.88 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 0.00 0.00 0.00 43 M 8.16 3.98 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 44 Y 7.96 3.98 0.00 3.13 3.18 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 C 8.34 4.35 0.00 2.99 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 46 A 8.50 4.48 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 47 A 8.74 4.22 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 48 L 8.13 3.94 0.00 1.99 1.92 1.03 0.81 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 49 E 8.05 4.01 0.00 2.34 2.24 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 2.55 2.50 0.00 50 S 8.00 4.28 0.00 3.96 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 51 L 7.90 3.93 0.00 1.86 1.67 0.96 0.51 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 52 I 7.69 3.69 2.12 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 1.80 0.73 0.91 0.00 0.00 53 N 7.94 4.79 0.00 3.00 3.01 0.00 0.00 7.24 8.32 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 54 V 8.37 4.17 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 0.71 0.00 0.00 0.90 0.00 0.00 55 S 8.53 4.69 0.00 3.86 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 56 G 9.08 3.86 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 0.00 0.00 0.00 57 C 7.70 4.59 0.00 2.99 3.06 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 58 S 8.57 4.14 0.00 3.89 3.86 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 59 A 8.11 4.15 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 60 I 7.39 4.27 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.07 0.92 0.00 0.00 61 E 8.40 3.98 0.00 2.13 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 0.00 2.34 2.55 0.00 62 K 8.04 4.03 0.00 1.79 1.89 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.49 7.81 63 T 7.85 3.92 4.46 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 1.29 0.00 0.00 64 Q 8.54 4.06 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 65 R 8.10 3.92 0.00 1.89 2.09 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 66 M 8.10 4.18 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.66 0.00 67 L 8.58 4.50 0.00 1.92 1.92 1.03 0.97 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 68 S 8.46 4.47 0.00 4.10 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 69 G 7.93 3.67 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 0.00 70 F 8.08 4.49 0.00 2.82 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 0.00 0.00 0.00 71 C 8.48 4.87 0.00 3.10 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 72 P 0.00 4.50 0.00 2.05 2.08 0.00 3.71 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 2.03 2.06 0.00 73 H 9.77 4.40 0.00 3.17 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.25 4.21 0.00 1.74 1.75 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.40 7.81 75 V 7.93 4.12 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 0.61 0.00 0.00 1.10 0.00 0.00 76 S 8.02 4.59 0.00 3.81 3.57 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 77 A 8.55 4.10 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 78 G 7.69 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 0.00 0.00 0.00 79 Q 7.29 4.27 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 80 F 8.44 4.94 0.00 3.03 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 81 S 9.24 4.56 0.00 3.98 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 82 S 9.33 4.40 0.00 3.88 3.84 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 83 L 7.76 4.25 0.00 1.39 0.98 1.03 0.36 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 84 H 8.02 4.38 0.00 3.11 3.33 0.00 5.85 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.48 3.86 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 0.67 0.00 0.00 1.00 0.00 0.00 86 R 8.15 4.30 0.00 1.82 1.95 0.00 3.21 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 87 D 7.71 4.80 0.00 2.86 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 88 T 8.08 4.46 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 1.22 0.00 0.00 89 K 8.03 4.57 0.00 1.22 1.28 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 90 I 8.61 4.71 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.91 0.00 0.00 91 E 8.62 4.25 0.00 2.05 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 2.37 2.27 0.00 92 V 8.26 3.62 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 1.17 0.00 0.00 0.89 0.00 0.00 93 A 8.08 4.01 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 94 Q 8.06 3.96 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 95 F 8.27 3.97 0.00 3.17 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 96 V 8.24 3.65 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 1.07 0.00 0.00 1.16 0.00 0.00 97 K 7.81 3.90 0.00 1.92 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.68 7.81 98 D 8.21 4.29 0.00 2.57 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 99 L 7.73 3.99 0.00 1.15 1.56 0.62 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.17 3.91 0.00 1.81 1.81 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.57 3.96 0.00 1.76 1.62 0.89 1.03 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 0.00 102 H 7.72 4.10 0.00 3.38 3.26 0.00 5.63 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 0.00 103 L 7.75 3.95 0.00 1.73 1.74 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.89 4.19 0.00 1.96 2.06 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.50 7.81 105 K 7.64 4.01 0.00 1.93 1.97 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 106 L 7.90 3.95 0.00 1.75 1.67 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 107 F 7.70 4.12 0.00 3.18 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 0.00 108 R 7.72 3.96 0.00 1.95 1.96 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 109 E 8.03 4.19 0.00 1.85 1.86 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 2.30 2.29 0.00 110 G 7.24 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.74 4.11 0.00 1.70 1.84 0.00 3.09 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 112 F 8.15 4.50 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 *113 N 8.85 4.69 0.00 2.80 2.51 0.00 0.00 6.67 7.69 0.00 0.00 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.