NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4971 8.1876 118.9151 55.9841 31.4321 175.9353 4 L 5.3684 9.1563 122.1739 54.0927 41.7931 173.8167 5 V 4.2716 8.5071 118.0658 61.4706 33.8823 176.0664 6 F 5.5593 7.4790 115.5111 58.2554 41.2600 173.0434 7 I 4.0993 8.3563 113.7455 60.6364 40.7187 173.1764 8 V 4.5633 8.8310 130.5229 61.9259 33.4182 174.5514 9 F 5.2250 8.8991 124.0095 55.2523 42.8261 174.9995 10 Q 4.0265 9.2106 120.6680 56.3208 28.9925 177.6230 11 D 4.6697 8.5916 124.4218 54.3016 38.9724 174.2872 12 N 5.0466 8.0375 121.2611 50.5201 42.2870 174.5965 13 D 4.4144 8.6100 118.2015 57.6538 41.4114 177.7302 14 D 4.7132 8.2571 118.8460 57.4842 40.7887 178.6778 15 S 3.9964 7.9615 114.9930 60.6822 62.9053 176.0688 16 R 3.5626 7.3022 121.3649 59.8077 29.7006 177.9381 17 Y 4.1034 7.1863 115.3737 60.4453 37.7182 177.9650 18 L 3.8002 7.4627 118.8088 57.9722 42.1018 178.0995 19 A 3.8787 9.0409 121.7154 53.8663 17.9595 181.3813 20 E 2.8781 8.8847 111.2162 54.7637 32.1694 178.8121 21 A 4.0937 6.4715 120.3817 55.2035 17.6597 179.1843 22 V 4.0979 7.7438 116.8239 62.6491 32.2430 177.9751 *24 E 4.3276 8.2019 119.7605 56.9054 31.3008 176.0743 25 D 5.1034 7.7410 118.5898 53.6730 41.4507 177.0476 26 N 5.0296 7.6422 114.8306 50.5017 40.1373 173.4310 27 P 4.0655 0.0000 0.0000 65.1849 32.0748 177.0703 28 D 4.6061 8.0853 115.5108 55.8886 42.0186 176.3387 29 A 4.1906 6.8591 118.9149 49.3171 19.5187 176.6284 30 E 4.7656 8.7617 118.5192 54.1949 33.9796 174.5425 *32 Q 4.3112 8.3254 116.2423 56.6128 30.1245 174.5338 33 H 5.2858 8.6491 118.2070 54.8942 32.2431 174.7154 34 Q 4.2756 8.3355 121.8126 55.9192 33.4047 173.3131 35 P 3.4142 0.0000 0.0000 66.5358 32.7237 177.0045 36 A 4.5410 7.8073 118.3150 50.0865 20.5367 175.3240 *38 I 4.1173 7.4132 121.9057 60.4994 39.3426 176.0423 39 R 4.8370 8.3261 127.0219 54.9541 32.2839 175.8201 40 I 4.7923 8.3672 125.5119 60.5338 41.8206 173.8176 41 Q 5.9585 9.4779 125.3376 55.1382 32.3455 174.2827 42 A 4.6780 8.1227 121.2924 52.1801 20.9281 175.2495 43 E 4.2817 8.0663 120.1126 56.9553 29.5631 177.3898 44 K 4.2697 9.4305 124.7366 56.4600 31.3447 175.1625 45 R 5.5709 7.0400 119.6847 56.2359 33.9864 172.8935 46 L 5.2476 7.8439 123.7607 53.0980 46.9137 174.7219 47 V 4.9105 8.1881 117.3089 62.1518 34.3720 174.3783 48 I 4.5471 8.2351 121.9327 60.2749 39.5410 173.0733 49 N 5.1167 8.6192 125.6239 52.4767 39.4450 175.9381 50 R 4.4668 8.8018 122.8302 59.4327 30.5674 177.5807 51 E 4.0875 8.3227 117.7748 59.4960 29.9681 177.7573 52 T 3.7796 8.0090 113.5120 65.8107 69.0311 175.1207 *54 E 4.3218 8.2219 121.5024 56.4854 31.1952 177.9023 55 E 4.3050 7.8240 110.6623 56.9337 29.0503 177.0514 56 K 4.6551 7.5322 118.2038 55.8482 33.1088 176.4110 57 L 3.9702 8.2477 117.0205 53.9907 47.3733 174.8385 58 G 3.8859 8.1194 107.1754 44.7245 0.0000 173.2522 59 R 4.6651 7.0627 116.7489 55.7655 31.1033 174.4482 60 D 4.8048 8.1805 118.5744 54.0818 41.5746 175.6895 61 W 5.4185 8.7631 128.5260 56.8810 33.3703 173.3614 62 D 4.5557 7.3812 123.2545 51.8453 41.4920 178.6855 63 V 2.6938 6.7248 114.6288 64.2138 32.0669 177.5506 64 Q 3.9439 7.7744 117.1708 58.9747 28.6643 178.9001 65 E 4.0382 8.5720 117.6715 56.3547 28.4696 178.8831 *67 L 4.1364 8.1072 120.8271 56.0521 42.2879 178.7198 68 I 3.6313 7.0866 118.0135 62.4239 38.2481 175.3753 69 N 5.1370 7.9512 114.7149 53.0116 41.4531 175.2558 70 V 3.8983 7.9082 118.6943 61.8869 31.2487 175.5794 71 I 3.9629 8.8349 129.2971 61.5052 36.6486 175.3992 72 S 4.7595 7.9880 116.1186 56.9864 66.1604 173.8486 73 I 4.0332 7.7279 125.3657 61.0526 40.4427 173.7600 74 A 3.6995 7.7188 117.5719 53.1620 20.7899 175.3376 75 G 3.1352 8.4383 108.4732 43.1728 0.0000 172.6537 76 N 4.4239 7.7274 116.8301 52.8861 39.8108 174.7015 77 V 3.9722 8.0157 121.6958 61.4087 33.7145 175.0095 78 D 4.6467 8.5486 127.1176 52.3464 42.5719 173.1783 79 E 4.7903 8.4436 125.0782 54.9352 31.3990 174.9496 80 D 4.5720 8.3651 124.0476 53.9663 44.1330 174.2974 81 D 4.7065 8.6810 117.6768 55.6564 42.2255 176.6437 82 D 5.0726 7.8835 117.9233 55.0375 44.1122 175.3604 83 H 6.0242 7.6518 111.9791 54.3464 32.7101 172.6978 84 F 5.0146 8.7291 119.4583 56.4464 39.7190 171.5827 85 I 4.4019 8.3380 122.9632 59.6796 39.1147 174.2725 86 L 4.9152 8.0408 128.5294 53.3521 44.9730 175.0262 87 E 4.8402 7.9491 122.5977 55.8351 33.3744 174.1143 88 W 5.1377 8.3340 119.7108 54.3279 31.6205 176.3115 89 N 4.4410 9.0591 120.0557 54.3033 38.2987 174.5202 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 Q 8.19 4.50 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 4 L 9.16 5.37 0.00 2.01 1.88 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.51 4.27 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 0.35 0.00 0.00 1.01 0.00 0.00 6 F 7.48 5.56 0.00 3.08 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 7 I 8.36 4.10 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.04 0.99 0.00 0.00 8 V 8.83 4.56 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 0.94 0.00 0.00 0.95 0.00 0.00 9 F 8.90 5.23 0.00 2.92 2.84 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 10 Q 9.21 4.03 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.29 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 11 D 8.59 4.67 0.00 2.69 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 12 N 8.04 5.05 0.00 2.90 2.77 0.00 0.00 7.23 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 13 D 8.61 4.41 0.00 2.85 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 14 D 8.26 4.71 0.00 2.78 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 15 S 7.96 4.00 0.00 3.95 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 16 R 7.30 3.56 0.00 1.57 1.01 0.00 2.56 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 17 Y 7.19 4.10 0.00 3.12 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 18 L 7.46 3.80 0.00 0.81 1.12 0.79 0.80 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 19 A 9.04 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 2.88 0.00 2.23 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 2.48 0.00 21 A 6.47 4.09 1.25 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 0.00 0.00 22 V 7.74 4.10 2.35 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 1.11 0.00 0.00 1.09 0.00 0.00 *24 E 8.20 4.33 0.00 2.00 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 0.00 2.21 2.34 0.00 25 D 7.74 5.10 0.00 2.60 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 26 N 7.64 5.03 0.00 2.88 2.71 0.00 0.00 7.03 7.91 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 27 P 0.00 4.07 0.00 2.07 2.17 0.00 3.94 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 2.06 2.05 0.00 28 D 8.09 4.61 0.00 2.68 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 29 A 6.86 4.19 1.25 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 0.00 0.00 30 E 8.76 4.77 0.00 2.09 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 *32 Q 8.33 4.31 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 33 H 8.65 5.29 0.00 3.10 3.29 0.00 5.93 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.34 4.28 0.00 1.99 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 35 P 0.00 3.41 0.00 2.19 1.97 0.00 3.76 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 1.99 2.02 0.00 36 A 7.81 4.54 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 *38 I 7.41 4.12 2.06 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 1.15 0.60 1.06 0.00 0.00 39 R 8.33 4.84 0.00 1.76 1.74 0.00 2.94 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 40 I 8.37 4.79 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 1.00 0.00 0.00 41 Q 9.48 5.96 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 42 A 8.12 4.68 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.28 0.00 2.10 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 2.41 2.44 0.00 44 K 9.43 4.27 0.00 2.01 2.01 0.00 1.98 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.57 7.81 45 R 7.04 5.57 0.00 1.84 1.88 0.00 3.28 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 46 L 7.84 5.25 0.00 1.59 1.56 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.19 4.91 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 0.97 0.00 0.00 0.95 0.00 0.00 48 I 8.24 4.55 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.37 1.38 0.00 0.00 49 N 8.62 5.12 0.00 2.81 2.80 0.00 0.00 7.13 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 50 R 8.80 4.47 0.00 1.98 2.10 0.00 3.60 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 51 E 8.32 4.09 0.00 1.99 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 2.32 2.41 0.00 52 T 8.01 3.78 4.37 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 1.17 0.00 0.00 *54 E 8.22 4.32 0.00 2.07 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 0.00 2.58 2.43 0.00 55 E 7.82 4.30 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 2.39 2.55 0.00 56 K 7.53 4.66 0.00 1.60 1.72 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.33 1.33 7.81 57 L 8.25 3.97 0.00 1.38 1.46 0.52 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.12 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 0.00 0.00 0.00 59 R 7.06 4.67 0.00 2.01 1.95 0.00 3.06 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 60 D 8.18 4.80 0.00 2.74 2.86 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 61 W 8.76 5.42 0.00 3.09 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 62 D 7.38 4.56 0.00 2.60 2.55 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 63 V 6.72 2.69 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 0.81 0.00 0.00 0.84 0.00 0.00 64 Q 7.77 3.94 0.00 1.84 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.73 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 65 E 8.57 4.04 0.00 1.49 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 2.21 2.00 0.00 *67 L 8.11 4.14 0.00 1.81 1.83 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.09 3.63 1.87 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 1.33 0.71 0.89 0.00 0.00 69 N 7.95 5.14 0.00 2.80 2.92 0.00 0.00 6.74 7.56 0.00 0.00 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 7.91 3.90 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 1.00 0.00 0.00 0.93 0.00 0.00 71 I 8.83 3.96 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.94 0.00 0.00 72 S 7.99 4.76 0.00 3.94 3.81 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 73 I 7.73 4.03 1.83 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.75 0.00 0.00 74 A 7.72 3.70 -0.31 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 75 G 8.44 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.73 4.42 0.00 2.56 2.61 0.00 0.00 6.97 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 77 V 8.02 3.97 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 0.55 0.00 0.00 0.74 0.00 0.00 78 D 8.55 4.65 0.00 2.59 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.79 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 80 D 8.37 4.57 0.00 2.68 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 81 D 8.68 4.71 0.00 2.63 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 82 D 7.88 5.07 0.00 2.58 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 83 H 7.65 6.02 0.00 3.21 3.46 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.73 5.01 0.00 3.15 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 85 I 8.34 4.40 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.32 0.95 0.00 0.00 86 L 8.04 4.92 0.00 1.57 1.28 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.95 4.84 0.00 2.16 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 1.97 2.12 0.00 88 W 8.33 5.14 0.00 3.16 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 89 N 9.06 4.44 0.00 2.71 2.80 0.00 0.00 6.89 7.56 0.00 0.00 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.