NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4748 8.3601 120.3158 52.5205 41.4648 174.7068 6 A 4.4640 7.6974 121.3767 49.0374 21.5531 171.5557 7 E 4.3172 8.5758 120.0839 55.3081 31.3977 173.8498 8 I 4.1891 8.1724 126.1596 60.3181 39.2078 174.8698 9 K 4.3561 8.3866 125.5480 57.7583 33.7445 176.0087 10 G 3.9843 7.3832 103.5059 45.5024 0.0000 171.3897 11 I 4.3001 8.1926 120.2568 59.2513 38.5076 175.7948 12 K 3.9042 8.6208 123.6878 56.1885 32.2752 175.6422 13 P 4.3070 0.0000 0.0000 65.5837 31.3230 178.5181 14 K 4.0709 8.0653 118.2138 58.7976 32.0949 179.1927 15 V 3.8834 7.7090 119.3986 65.1552 29.9736 178.3190 16 I 3.7401 7.9390 120.9013 63.6992 36.6334 177.7132 17 E 4.0889 7.7585 119.6112 58.4757 29.5104 176.9619 18 E 4.4479 7.6544 114.7463 55.8116 30.9014 174.7414 19 Y 4.5506 8.2896 114.1670 57.5381 40.3425 178.8341 20 S 4.0846 7.7550 115.3524 57.3083 62.1132 168.2236 *26 G 3.7425 8.0891 109.0709 45.0342 0.0000 170.5316 27 P 4.1615 0.0000 0.0000 62.9607 31.6254 176.8070 28 S 4.3032 8.5198 116.8128 58.3928 62.9479 173.1687 29 N 4.7080 8.4128 122.2514 53.6725 39.6686 174.5976 30 D 4.6434 7.6993 117.0468 54.7511 41.8239 175.3520 31 S 4.6202 8.1592 113.8036 55.2895 65.4840 174.7747 32 W 4.3828 8.7565 124.8364 59.5197 27.8479 178.1166 33 K 3.9360 7.0841 118.7424 57.7825 31.1718 178.9378 34 S 4.1740 7.6986 114.5522 61.1029 63.0508 175.8252 35 L 4.2331 7.8872 121.0360 56.3045 41.3873 178.5339 36 M 4.0746 7.9110 119.0159 58.5486 31.9245 178.0949 37 S 4.0979 7.9567 113.9599 61.7223 63.4327 176.2255 38 S 4.2048 8.0244 114.9094 61.3694 62.2914 175.6514 39 A 4.0270 8.1667 123.5121 55.3011 17.8449 179.7282 40 K 3.9793 8.1569 115.9811 58.9402 32.1718 178.1650 41 D 4.7663 7.8369 116.3702 53.3178 41.6038 176.0611 42 T 4.5224 7.0338 117.3163 60.8166 70.1131 173.0638 43 P 4.3533 0.0000 0.0000 61.8299 32.0621 175.8345 44 L 3.7409 8.2732 121.3846 56.0047 42.1813 176.5323 45 Q 4.5061 8.1681 123.5623 54.1686 31.5569 174.3531 46 Y 4.7515 7.8303 117.4691 56.0140 40.6545 175.7938 47 D 4.5610 9.1583 122.8991 57.2570 41.5293 177.0434 48 H 5.0043 9.0121 113.8607 55.5363 28.8090 173.6800 49 M 4.4856 8.0058 120.1947 53.4817 33.3356 175.0311 50 N 4.3792 8.5419 122.1811 53.4316 40.3750 174.6979 51 R 3.9366 8.7083 127.7037 59.8507 30.4341 178.4260 52 E 4.0479 8.2515 117.8017 59.4968 29.4887 179.3910 53 S 4.3866 8.8131 115.5490 61.4852 62.9048 176.5831 54 L 4.2514 8.3471 122.0633 57.8296 41.1031 179.7102 55 K 4.0330 7.9087 117.5969 59.2446 32.0378 179.0097 56 K 3.8970 7.6641 118.4679 58.9191 32.2669 177.6897 57 Y 4.5791 8.2732 114.3734 57.0570 38.9813 175.3688 58 F 4.8000 7.5726 117.4846 54.9282 42.6774 174.7793 59 N 4.6331 8.5539 119.5924 52.5173 38.9884 174.9345 60 P 4.3255 0.0000 0.0000 65.3098 31.5071 176.8133 61 N 4.7523 8.0270 113.6543 52.0280 37.6018 174.6427 62 A 4.0941 7.6388 122.2506 52.9127 18.8885 178.1384 63 Q 4.2815 8.4917 121.4176 55.6473 29.6248 175.8523 64 L 4.5605 8.2569 120.6848 53.0099 45.2457 175.7984 65 I 4.3770 8.1286 124.0217 59.1222 39.0133 174.8834 66 E 3.8717 8.8028 127.0653 57.1640 30.8243 176.2565 67 D 4.4106 8.8002 125.1556 54.8288 38.1766 172.8494 68 P 4.2547 0.0000 0.0000 65.1259 31.9953 177.9391 69 L 4.5832 7.6759 116.9910 54.4670 41.9366 176.6645 70 D 4.4914 8.2410 120.9864 56.5987 41.0967 176.3906 71 K 4.7192 7.5365 114.4685 53.7256 35.8349 173.5150 72 P 4.4652 0.0000 0.0000 62.2020 31.7360 176.1624 73 I 3.6802 8.2755 119.6905 62.0711 37.3010 175.7772 74 Q 4.4651 8.6067 124.7032 55.1844 29.1598 174.3128 75 Y 5.0035 7.7980 119.4338 56.5749 40.7995 173.3032 76 R 4.6312 8.7995 118.0084 54.4552 35.0710 174.3410 77 V 4.8879 8.0845 120.0648 60.9953 33.7708 174.8668 78 C 4.2332 8.8929 128.9349 59.6384 31.8312 174.5181 79 E 4.0507 9.0002 125.7772 59.2259 29.6322 178.5471 80 K 4.1951 8.1877 117.4987 58.6228 32.4294 177.3673 81A C 4.6216 7.9481 109.0444 57.0310 30.7222 174.5704 82 G 3.9319 8.3978 108.3996 45.8106 0.0000 173.8699 83 K 4.3165 7.6544 119.7859 55.3072 33.4182 174.3903 84 P 5.0074 0.0000 0.0000 62.6706 32.3201 175.3671 85 L 4.8617 9.3135 124.6140 52.2278 44.7173 176.4076 86 A 4.3930 8.6641 126.1922 52.0340 18.9915 178.2661 87 L 4.0859 8.6355 120.6687 58.0864 41.8426 179.4611 88 T 4.1470 7.9361 105.8623 62.8149 68.6826 174.5722 89 A 4.6093 8.1985 125.2562 52.2626 20.4155 178.9009 90 I 3.8121 7.6073 116.7383 64.2368 37.4802 178.7413 91 V 3.6069 7.8839 118.5123 66.0226 31.3577 176.4406 92 D 4.5391 7.3721 113.4901 55.3265 41.0878 176.0020 93 H 4.3418 7.9506 120.1787 55.8159 30.0725 174.2186 94 L 4.7440 7.9891 125.4881 52.6665 45.1649 176.3094 95 E 4.1575 8.5060 118.0915 56.8201 29.5464 176.8841 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 5 D 8.36 4.47 0.00 2.80 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 6 A 7.70 4.46 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 7 E 8.58 4.32 0.00 1.94 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 2.25 2.28 0.00 8 I 8.17 4.19 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 1.41 0.95 0.91 0.00 0.00 9 K 8.39 4.36 0.00 1.76 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.34 7.81 10 G 7.38 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 11 I 8.19 4.30 1.88 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 1.42 0.66 0.93 0.00 0.00 12 K 8.62 3.90 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.53 7.81 13 P 0.00 4.31 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 14 K 8.07 4.07 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.49 7.81 15 V 7.71 3.88 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 0.90 0.00 0.00 1.09 0.00 0.00 16 I 7.94 3.74 2.03 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 1.56 0.85 0.93 0.00 0.00 17 E 7.76 4.09 0.00 2.06 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 2.31 2.28 0.00 18 E 7.65 4.45 0.00 1.89 1.69 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 0.00 1.81 2.15 0.00 19 Y 8.29 4.55 0.00 3.15 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 20 S 7.76 4.08 0.00 4.00 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 0.00 *26 G 8.09 3.74 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 0.00 0.00 0.00 27 P 0.00 4.16 0.00 2.05 2.05 0.00 3.69 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 2.04 2.11 0.00 28 S 8.52 4.30 0.00 3.84 3.78 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 0.00 0.00 0.00 29 N 8.41 4.71 0.00 2.71 2.79 0.00 0.00 7.06 8.47 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 30 D 7.70 4.64 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.62 0.00 3.68 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.76 4.38 0.00 3.58 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 33 K 7.08 3.94 0.00 1.27 1.52 0.00 1.14 0.00 0.00 1.29 0.00 0.00 2.47 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 S 7.70 4.17 0.00 4.02 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 0.00 35 L 7.89 4.23 0.00 1.97 1.81 0.99 0.74 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 36 M 7.91 4.07 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 37 S 7.96 4.10 0.00 3.88 3.91 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 38 S 8.02 4.20 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 39 A 8.17 4.03 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 40 K 8.16 3.98 0.00 1.91 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.72 7.81 41 D 7.84 4.77 0.00 2.77 2.69 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 0.00 0.00 0.00 0.00 42 T 7.03 4.52 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 1.19 0.00 0.00 43 P 0.00 4.35 0.00 2.01 1.97 0.00 3.69 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 2.02 2.06 0.00 44 L 8.27 3.74 0.00 1.46 1.46 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.17 4.51 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 46 Y 7.83 4.75 0.00 3.11 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 47 D 9.16 4.56 0.00 2.63 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 48 H 9.01 5.00 0.00 3.20 3.30 0.00 5.55 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.01 4.49 0.00 1.68 1.73 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 50 N 8.54 4.38 0.00 2.80 2.76 0.00 0.00 6.73 7.65 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 51 R 8.71 3.94 0.00 1.96 1.94 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 52 E 8.25 4.05 0.00 2.19 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 2.43 2.37 0.00 53 S 8.81 4.39 0.00 4.01 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 0.00 54 L 8.35 4.25 0.00 1.91 1.74 0.87 0.30 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 55 K 7.91 4.03 0.00 1.94 1.88 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.69 7.81 56 K 7.66 3.90 0.00 1.52 1.20 0.00 1.57 0.00 0.00 1.21 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.41 1.10 7.81 57 Y 8.27 4.58 0.00 3.25 2.83 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 58 F 7.57 4.80 0.00 3.19 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 59 N 8.55 4.63 0.00 2.81 2.95 0.00 0.00 6.57 8.03 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 60 P 0.00 4.33 0.00 2.20 2.21 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 61 N 8.03 4.75 0.00 2.86 2.96 0.00 0.00 5.97 7.26 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 62 A 7.64 4.09 1.41 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 0.00 0.00 63 Q 8.49 4.28 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 64 L 8.26 4.56 0.00 1.44 1.08 0.68 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.13 4.38 1.84 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 1.31 0.60 0.91 0.00 0.00 66 E 8.80 3.87 0.00 1.95 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 2.24 2.19 0.00 67 D 8.80 4.41 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 68 P 0.00 4.25 0.00 2.17 2.18 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 69 L 7.68 4.58 0.00 1.63 1.71 0.92 1.01 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 70 D 8.24 4.49 0.00 2.74 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 71 K 7.54 4.72 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.41 7.81 72 P 0.00 4.47 0.00 2.24 2.14 0.00 3.79 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 2.00 2.00 0.00 73 I 8.28 3.68 2.02 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 1.45 0.80 0.91 0.00 0.00 74 Q 8.61 4.47 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 75 Y 7.80 5.00 0.00 3.11 2.81 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 76 R 8.80 4.63 0.00 1.76 1.78 0.00 3.05 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 77 V 8.08 4.89 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 0.87 0.00 0.00 1.08 0.00 0.00 78 C 8.89 4.23 0.00 3.00 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 79 E 9.00 4.05 0.00 2.01 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 2.28 0.00 80 K 8.19 4.20 0.00 1.88 1.98 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 81A C 7.95 4.62 0.00 3.06 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 82 G 8.40 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 0.00 0.00 0.00 83 K 7.65 4.32 0.00 1.66 1.69 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.45 7.81 84 P 0.00 5.01 0.00 1.71 1.90 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 85 L 9.31 4.86 0.00 1.56 1.59 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.66 4.39 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 87 L 8.64 4.09 0.00 1.71 1.75 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.94 4.15 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 89 A 8.20 4.61 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 90 I 7.61 3.81 1.89 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 1.21 1.12 0.93 0.00 0.00 91 V 7.88 3.61 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 0.80 0.00 0.00 0.94 0.00 0.00 92 D 7.37 4.54 0.00 2.77 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 93 H 7.95 4.34 0.00 3.23 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.99 4.74 0.00 1.57 1.47 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.51 4.16 0.00 1.94 1.85 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 2.27 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.