NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5029 8.1576 122.0605 56.5893 35.7633 174.6745 4 V 4.4681 8.3892 117.7757 58.6182 34.1785 173.5360 5 C 4.5177 9.5723 124.7833 58.4890 32.5761 175.4043 6 E 3.9753 8.5366 127.5654 59.3266 29.4343 178.5844 7 I 4.0780 7.6357 118.1140 63.4131 37.9855 177.2428 8 S 4.1096 7.8384 113.2517 59.1175 63.2985 174.3409 9 G 3.7291 8.1912 108.3941 45.9657 0.0000 173.0896 10 K 4.5094 7.9700 119.2332 55.0647 33.4907 176.5519 11 R 5.3845 8.6643 120.9682 52.1185 32.5316 173.6093 12 P 4.6513 0.0000 0.0000 63.5546 31.9312 174.9784 13 I 4.6168 8.4219 114.5313 59.1875 41.5416 173.7265 14 V 4.7446 8.1830 121.4175 61.3996 33.0719 174.4311 15 A 4.7480 8.9635 127.9240 50.8412 23.1335 174.4742 16 N 5.7360 8.5662 115.8603 51.4381 41.1770 175.2125 17 S 4.4665 8.5087 116.7383 57.3399 63.7577 173.0210 18 I 4.7581 8.1740 129.5884 59.5408 37.8158 175.0799 19 Q 4.1994 8.6308 126.8644 55.7955 29.5606 175.9379 20 R 5.1102 8.5653 122.0105 54.5090 34.0490 174.5044 21 R 4.5197 8.6052 119.2582 56.0831 34.2259 175.3284 22 G 4.1963 8.8525 110.0845 44.8259 0.0000 172.2181 23 K 4.2971 8.1610 118.7479 54.2546 33.2269 175.5534 24 A 4.2577 8.5847 128.7616 52.3967 18.9092 178.3934 25 K 3.9898 8.6095 119.5186 59.2641 32.5369 178.5871 26 R 4.0739 8.0721 118.1569 58.9950 30.7648 176.1137 27 E 4.6734 7.4207 118.0808 57.6355 29.0028 178.8634 28 G 4.0177 8.0583 113.3322 50.7181 0.0000 173.0225 29 G 3.5848 9.2464 105.3816 45.2048 0.0000 171.8297 30 V 3.3179 9.1267 114.3005 62.9442 30.4161 172.9200 31 G 3.8999 6.5385 101.9771 43.5846 0.0000 172.1782 32 K 5.4100 8.2129 118.7062 53.9165 33.9749 176.4526 33 K 4.5964 8.5709 123.6053 55.0533 35.0727 175.6481 34 T 4.4604 8.2782 120.2251 62.5379 69.4354 174.4767 35 T 4.4031 8.7373 121.5685 60.7960 67.8840 174.0088 36 G 4.3078 6.4409 109.8274 44.8430 0.0000 172.8981 37 I 5.2527 7.8404 122.8996 60.5100 40.1203 174.3951 38 S 4.7346 8.5383 123.0341 56.6905 66.2124 172.4257 39 K 4.9927 7.6506 120.5573 55.1881 34.0141 175.4266 40 R 4.7094 8.3838 120.0739 55.3875 33.0913 173.4505 41 R 4.9040 8.3775 116.3516 54.6152 32.2197 174.9232 42 Q 4.3902 8.5995 121.3138 54.6420 30.3776 174.9993 43 Y 4.8139 8.3939 122.1369 55.8579 39.6224 173.7727 44 P 4.5035 0.0000 0.0000 62.7796 33.0173 176.2722 45 N 4.7650 8.3911 118.8892 52.7513 36.7095 174.3051 46 L 4.5933 7.5945 119.9735 55.8504 43.4155 178.2295 47 Q 4.6657 9.1764 118.5074 54.7413 33.7182 173.9079 48 K 4.5348 8.6231 123.3553 56.7204 33.6821 177.0723 49 V 4.2762 8.7687 125.8033 61.9851 34.1917 173.4908 50 R 4.9581 8.6305 128.0777 54.9890 30.7342 176.2460 51 V 4.3862 8.5942 123.4756 60.3262 34.6330 176.2517 52 R 3.9499 8.6632 117.8198 57.5558 30.9821 177.9242 53 V 3.0729 8.6572 109.9492 63.6085 31.3948 174.4935 54 A 3.5361 8.4179 128.7449 52.8710 16.6514 177.5070 55 G 3.7925 8.6932 100.5742 48.1224 0.0000 174.2868 56 Q 4.1927 7.7715 117.2787 54.9274 29.7968 175.1378 57 E 4.6944 8.6728 121.1320 53.9166 29.7544 175.3609 58 I 4.1873 7.5802 120.4880 60.2703 39.8815 174.6860 59 T 4.9243 7.9392 117.5502 60.5339 69.8201 173.4114 60 F 4.8113 9.4001 127.7988 56.6613 41.9924 175.0938 61 R 5.1869 9.1234 119.9800 54.4694 31.4104 174.0182 62 V 4.9224 8.5541 123.7673 59.0599 35.6413 174.7872 63 A 4.6235 8.3977 123.2400 51.0697 19.8615 178.1409 64 A 4.0097 8.7899 125.9348 55.5313 18.4250 180.3220 65 S 4.3496 8.1874 108.2064 61.2779 62.9919 174.7396 66 H 4.8556 8.8112 116.6875 54.8320 30.6222 174.9840 67 I 3.8071 8.4707 124.1699 63.9987 36.8229 175.9758 68 P 4.3020 0.0000 0.0000 66.3922 30.7716 177.9240 69 K 3.8579 7.6175 118.5539 59.2234 31.9776 178.6346 70 V 3.3962 7.7856 112.2347 64.0006 31.5433 177.9391 71 Y 4.0753 8.3178 116.7111 60.1844 37.2410 177.2524 72 E 4.1550 8.1311 119.9597 58.2588 29.6657 178.0023 73 L 3.9040 7.5580 119.9996 58.0756 42.4870 178.5701 74 V 3.7861 7.6379 118.0777 66.9601 31.4409 176.8143 75 E 3.8541 8.1691 115.4337 59.4427 29.3007 179.3565 76 R 3.9983 7.8703 120.2237 59.4260 30.7020 178.4277 77 A 4.2127 7.9915 120.5040 54.3638 18.2251 179.2400 78 K 4.2233 8.6266 116.4766 58.2700 32.0601 177.7049 79 G 4.0082 7.3425 106.6504 45.1302 0.0000 173.4398 80 L 4.7904 7.7387 119.2784 52.8947 44.1600 177.5545 81 R 4.3242 8.1067 121.6137 54.8784 28.1807 176.2056 82 L 3.9406 7.4162 120.8576 51.9943 42.2723 178.7053 83 E 3.6870 8.5579 120.6099 58.1358 30.7983 175.7032 84 G 3.5843 7.8991 109.2275 44.4473 0.0000 172.6291 85 L 3.9317 8.6787 127.9632 54.8942 42.7585 177.4070 86 S 5.9560 8.4370 132.1000 56.8036 62.9045 175.1998 87 P 4.2304 0.0000 0.0000 66.8133 31.0066 178.1827 88 K 3.7906 7.9821 118.4377 59.4232 32.0528 178.2878 89 E 3.9184 8.0997 117.9355 59.5268 29.2896 178.9213 90 I 3.8368 7.9003 118.6770 64.5335 37.5409 177.6688 91 K 4.0000 8.0454 119.8167 59.7269 31.7938 178.6968 92 K 4.0214 7.7571 117.0472 59.6921 32.0739 178.6066 93 E 4.3335 8.7824 117.7018 56.6609 29.5120 176.7591 94 L 4.2762 7.9646 120.5075 54.2714 42.1097 176.1344 95 L 3.7414 8.8257 133.7623 56.6757 41.8919 174.8691 *96 K 4.1330 7.9092 121.7562 54.7476 32.3453 177.0088 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 3 K 8.16 4.50 0.00 1.90 1.60 0.00 1.53 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.53 7.81 4 V 8.39 4.47 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 0.78 0.00 0.00 0.98 0.00 0.00 5 C 9.57 4.52 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 3.98 0.00 2.11 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 2.41 2.55 0.00 7 I 7.64 4.08 1.81 0.00 0.00 0.61 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 0.18 0.91 0.00 0.00 8 S 7.84 4.11 0.00 3.76 3.20 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 0.00 0.00 0.00 0.00 9 G 8.19 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 0.00 0.00 0.00 10 K 7.97 4.51 0.00 1.70 1.74 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.36 7.81 11 R 8.66 5.38 0.00 1.78 1.88 0.00 2.66 0.00 0.00 2.34 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 12 P 0.00 4.65 0.00 1.97 2.29 0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 13 I 8.42 4.62 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 1.06 0.76 0.92 0.00 0.00 14 V 8.18 4.74 2.05 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 0.77 0.00 0.00 0.88 0.00 0.00 15 A 8.96 4.75 1.16 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 0.00 0.00 16 N 8.57 5.74 0.00 2.60 2.79 0.00 0.00 7.14 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 17 S 8.51 4.47 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.76 1.87 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 1.34 0.74 0.91 0.00 0.00 19 Q 8.63 4.20 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 20 R 8.57 5.11 0.00 1.65 1.81 0.00 3.17 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 21 R 8.61 4.52 0.00 1.85 1.69 0.00 3.12 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 22 G 8.85 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.16 4.30 0.00 1.79 1.68 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 24 A 8.58 4.26 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 25 K 8.61 3.99 0.00 1.76 1.89 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.42 7.81 26 R 8.07 4.07 0.00 1.76 2.00 0.00 3.21 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 27 E 7.42 4.67 0.00 1.93 1.60 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 2.26 2.22 0.00 28 G 8.06 4.02 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 0.00 0.00 0.00 29 G 9.25 3.58 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 0.00 0.00 0.00 30 V 9.13 3.32 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 6.54 3.90 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 0.00 0.00 0.00 32 K 8.21 5.41 0.00 1.63 1.73 0.00 1.77 0.00 0.00 2.36 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.27 7.81 33 K 8.57 4.60 0.00 1.66 1.69 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.38 7.81 34 T 8.28 4.46 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 1.30 0.00 0.00 35 T 8.74 4.40 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 36 G 6.44 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 0.00 0.00 0.00 0.00 37 I 7.84 5.25 1.87 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 1.02 0.31 0.90 0.00 0.00 38 S 8.54 4.73 0.00 3.88 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 39 K 7.65 4.99 0.00 1.57 1.69 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 40 R 8.38 4.71 0.00 1.87 1.94 0.00 2.75 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 41 R 8.38 4.90 0.00 1.31 1.73 0.00 3.05 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.19 0.00 42 Q 8.60 4.39 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 43 Y 8.39 4.81 0.00 2.95 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 44 P 0.00 4.50 0.00 2.21 2.08 0.00 3.96 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 45 N 8.39 4.77 0.00 2.86 2.79 0.00 0.00 6.93 6.66 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 46 L 7.59 4.59 0.00 1.56 1.60 0.99 0.97 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 47 Q 9.18 4.67 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 48 K 8.62 4.53 0.00 1.76 1.72 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.51 7.81 49 V 8.77 4.28 2.18 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 0.62 0.00 0.00 0.98 0.00 0.00 50 R 8.63 4.96 0.00 1.76 2.17 0.00 3.56 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 51 V 8.59 4.39 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 0.91 0.00 0.00 0.85 0.00 0.00 52 R 8.66 3.95 0.00 1.89 1.99 0.00 3.40 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 53 V 8.66 3.07 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 0.67 0.00 0.00 0.95 0.00 0.00 54 A 8.42 3.54 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 55 G 8.69 3.79 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 0.00 0.00 0.00 56 Q 7.77 4.19 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 57 E 8.67 4.69 0.00 1.90 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 2.50 2.18 0.00 58 I 7.58 4.19 1.57 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.17 0.81 0.00 0.00 59 T 7.94 4.92 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 60 F 9.40 4.81 0.00 2.92 2.87 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 61 R 9.12 5.19 0.00 1.91 1.80 0.00 3.04 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 62 V 8.55 4.92 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 0.72 0.00 0.00 0.89 0.00 0.00 63 A 8.40 4.62 1.29 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 0.00 0.00 64 A 8.79 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.35 0.00 4.06 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 0.00 66 H 8.81 4.86 0.00 3.12 3.25 0.00 5.83 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.47 3.81 1.93 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 1.62 0.93 1.05 0.00 0.00 68 P 0.00 4.30 0.00 2.26 2.35 0.00 3.60 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 2.05 2.03 0.00 69 K 7.62 3.86 0.00 1.89 1.98 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.50 7.81 70 V 7.79 3.40 1.53 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 0.27 0.00 0.00 0.69 0.00 0.00 71 Y 8.32 4.08 0.00 3.20 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 72 E 8.13 4.15 0.00 2.02 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 2.37 2.30 0.00 73 L 7.56 3.90 0.00 1.90 1.75 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.64 3.79 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 1.03 0.00 0.00 0.99 0.00 0.00 75 E 8.17 3.85 0.00 2.39 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 0.00 2.36 2.45 0.00 76 R 7.87 4.00 0.00 2.03 2.01 0.00 3.12 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 77 A 7.99 4.21 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 78 K 8.63 4.22 0.00 1.70 1.90 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.48 7.81 79 G 7.34 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 80 L 7.74 4.79 0.00 1.66 1.58 0.94 0.74 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 81 R 8.11 4.32 0.00 1.80 2.03 0.00 3.21 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 82 L 7.42 3.94 0.00 1.64 1.54 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.56 3.69 0.00 2.19 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 0.00 2.19 2.28 0.00 84 G 7.90 3.58 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 0.00 0.00 0.00 85 L 8.68 3.93 0.00 1.61 1.61 0.91 0.95 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 86 S 8.44 5.96 0.00 4.10 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 87 P 0.00 4.23 0.00 2.20 2.33 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 88 K 7.98 3.79 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 89 E 8.10 3.92 0.00 2.21 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 2.39 2.39 0.00 90 I 7.90 3.84 1.98 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 1.39 0.58 0.90 0.00 0.00 91 K 8.05 4.00 0.00 1.80 1.89 0.00 1.24 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.40 1.05 7.81 92 K 7.76 4.02 0.00 1.95 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.60 7.81 93 E 8.78 4.33 0.00 2.06 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 2.35 2.49 0.00 94 L 7.96 4.28 0.00 1.87 1.74 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.83 3.74 0.00 1.75 1.78 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.91 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.