NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 G 3.8465 8.3393 109.7365 44.9994 0.0000 173.5416 44 P 4.0495 0.0000 0.0000 60.9325 31.9682 174.3077 45 N 4.8212 8.6847 122.9185 51.0822 41.0819 176.0938 46 K 4.0048 8.7746 127.1660 59.2433 32.3313 177.7476 47 E 4.1335 9.6080 120.3571 59.5561 29.5982 178.6263 48 T 3.8288 7.9481 115.1719 66.9728 68.4579 176.2096 49 I 3.6159 7.7197 119.8167 64.0540 38.0721 177.0604 50 N 4.1845 8.1734 118.2615 57.0652 38.6732 176.5817 51 R 4.0948 7.9704 119.7604 59.3708 30.2387 177.7507 52 E 3.9693 8.0733 118.8117 58.8633 29.3476 178.5172 53 V 3.6544 8.9046 119.6089 65.9652 31.5799 178.6550 54 S 4.2509 8.6499 114.5189 61.2265 63.3499 176.0905 55 I 3.8571 8.3814 123.1135 62.6959 37.6929 176.7847 56 L 4.1573 8.1376 121.9232 57.8079 41.8312 178.3068 57 R 3.9865 8.1991 118.7187 59.8720 30.0354 178.3794 58 H 4.2895 8.0271 117.4006 58.9792 30.2878 176.5671 59 S 4.1526 8.8286 115.2357 62.2078 62.2376 175.5322 60 Y 3.9496 8.3831 121.9975 60.4627 38.6458 177.9128 61 Q 4.0239 8.4599 118.9880 58.9424 28.9435 179.9247 62 K 3.8888 7.9399 120.4974 59.2792 32.3576 178.2688 63 E 3.7825 7.9309 118.8585 59.8542 29.2647 179.7249 64 I 3.5673 7.1596 116.0972 63.7465 38.2221 177.2288 65 Q 4.0077 7.7578 119.9357 59.2515 28.9837 177.9331 66 A 3.6956 8.4077 123.3539 54.5022 18.2711 179.5162 67 K 4.0061 7.7913 117.5127 59.4949 32.0459 178.9575 68 E 3.9399 8.8834 119.9549 59.7481 29.1133 179.4803 69 T 4.0312 7.7922 115.2599 66.7183 68.6956 176.0795 70 M 4.0111 8.4805 120.5392 58.7285 32.2150 178.0265 71 K 3.8347 8.6425 119.9689 59.4708 32.2511 178.4202 72 E 3.8500 7.8620 119.5239 59.3342 29.5670 178.2796 73 V 3.5211 7.8336 118.3225 66.2838 31.3709 177.4863 74 L 4.0087 7.8196 117.6516 58.2881 41.5607 179.6545 75 S 4.1227 7.7573 114.3911 62.1986 62.7633 176.9657 76 D 4.3625 7.9706 120.8315 57.0074 40.6297 178.1635 77 N 4.2463 8.7187 118.3410 57.2735 38.9451 176.3901 78 M 3.9664 8.7734 120.3590 58.4385 32.0669 178.2327 79 E 3.8861 8.0281 117.9917 59.7823 29.7732 179.6898 80 V 3.4167 8.0148 118.1035 66.0737 31.5805 177.8091 81 L 3.7734 7.7335 119.3975 58.4190 41.9004 179.0745 82 S 4.1454 8.3243 114.0032 61.4327 62.7430 175.9126 83 D 4.5239 8.1848 120.3647 56.9696 41.2885 177.2083 84 H 4.8514 7.6552 113.6193 55.1977 29.6310 174.7475 85 I 3.7213 7.2019 122.1368 60.1476 37.9802 174.8973 86 V 3.8602 7.4883 124.6897 62.5892 32.3656 175.1234 87 I 4.2784 7.9994 116.5207 60.3980 39.8573 172.2867 88 E 3.4795 9.7975 125.7113 59.5130 27.2869 172.9200 89 G 4.2778 8.8615 116.4116 45.3602 0.0000 172.0911 90 L 4.5714 7.6235 120.4796 52.5044 44.6621 175.0712 91 S 4.5796 8.5291 120.3179 56.3962 63.4390 174.1094 92 A 3.9767 8.7542 130.5906 55.3040 17.6146 179.0068 93 E 3.9160 7.6294 116.1343 59.6780 29.7645 178.9246 94 E 4.0759 8.3050 118.6918 59.6437 29.5085 179.5031 95 I 3.6843 7.8041 119.0448 64.2911 36.8930 178.2979 96 I 3.8608 7.5477 120.1537 63.5972 37.2176 177.7536 97 K 4.0266 8.1642 120.8714 59.9907 32.1639 178.5705 98 M 4.1544 7.5994 119.7349 57.7681 31.5516 178.6578 99 G 3.7635 7.9473 104.7144 46.7079 0.0000 174.8444 100 E 4.3614 8.5259 120.0362 57.9927 29.6718 177.9819 101 T 4.1167 7.3130 116.2978 66.0877 68.4507 176.0090 102 V 4.2870 7.4887 115.3010 62.9279 35.6677 174.4126 *103 L 4.1257 7.3470 126.5808 54.6120 41.4528 181.9147 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 43 G 8.34 3.85 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 0.00 0.00 0.00 44 P 0.00 4.05 0.00 2.27 2.11 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 45 N 8.68 4.82 0.00 2.71 2.70 0.00 0.00 6.76 6.25 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 46 K 8.77 4.00 0.00 1.78 1.84 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.54 7.81 47 E 9.61 4.13 0.00 2.07 1.93 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 2.32 2.44 0.00 48 T 7.95 3.83 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 49 I 7.72 3.62 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 1.35 0.98 0.00 0.00 50 N 8.17 4.18 0.00 2.90 2.89 0.00 0.00 7.30 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 51 R 7.97 4.09 0.00 2.10 1.98 0.00 3.52 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 52 E 8.07 3.97 0.00 2.03 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 2.31 2.33 0.00 53 V 8.90 3.65 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 0.94 0.00 0.00 0.96 0.00 0.00 54 S 8.65 4.25 0.00 4.06 4.14 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 55 I 8.38 3.86 1.94 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 1.33 1.02 0.00 0.00 56 L 8.14 4.16 0.00 1.95 1.57 0.95 0.86 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 57 R 8.20 3.99 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 58 H 8.03 4.29 0.00 3.19 3.40 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.83 4.15 0.00 3.93 4.07 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 60 Y 8.38 3.95 0.00 3.17 3.16 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 61 Q 8.46 4.02 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 62 K 7.94 3.89 0.00 1.88 1.88 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 63 E 7.93 3.78 0.00 1.75 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 2.45 0.00 64 I 7.16 3.57 1.64 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 1.48 0.69 0.68 0.00 0.00 65 Q 7.76 4.01 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 66 A 8.41 3.70 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 67 K 7.79 4.01 0.00 1.77 1.92 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 68 E 8.88 3.94 0.00 2.10 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 2.32 2.64 0.00 69 T 7.79 4.03 4.23 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 1.20 0.00 0.00 70 M 8.48 4.01 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 71 K 8.64 3.83 0.00 1.93 1.81 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 72 E 7.86 3.85 0.00 2.24 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 0.00 2.30 2.31 0.00 73 V 7.83 3.52 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 0.97 0.00 0.00 0.98 0.00 0.00 74 L 7.82 4.01 0.00 1.75 1.72 0.91 0.71 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 75 S 7.76 4.12 0.00 3.93 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 76 D 7.97 4.36 0.00 2.82 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 77 N 8.72 4.25 0.00 2.81 2.87 0.00 0.00 7.20 6.90 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 78 M 8.77 3.97 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 79 E 8.03 3.89 0.00 2.13 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 2.34 2.39 0.00 80 V 8.01 3.42 2.33 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 0.99 0.00 0.00 1.00 0.00 0.00 81 L 7.73 3.77 0.00 1.75 1.60 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.32 4.15 0.00 3.79 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 83 D 8.18 4.52 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 84 H 7.66 4.85 0.00 3.19 3.31 0.00 5.74 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 85 I 7.20 3.72 1.86 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 0.74 0.95 0.00 0.00 86 V 7.49 3.86 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 1.02 0.00 0.00 0.98 0.00 0.00 87 I 8.00 4.28 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 1.30 0.52 0.98 0.00 0.00 88 E 9.80 3.48 0.00 2.10 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 2.19 2.29 0.00 89 G 8.86 4.28 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 0.00 90 L 7.62 4.57 0.00 1.54 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.53 4.58 0.00 3.88 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 92 A 8.75 3.98 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 93 E 7.63 3.92 0.00 1.96 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 2.35 0.00 94 E 8.31 4.08 0.00 2.15 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 2.33 2.35 0.00 95 I 7.80 3.68 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 1.83 1.54 0.91 0.00 0.00 96 I 7.55 3.86 2.04 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 0.54 0.91 0.00 0.00 97 K 8.16 4.03 0.00 1.81 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 98 M 7.60 4.15 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 99 G 7.95 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 0.00 100 E 8.53 4.36 0.00 2.09 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 2.29 2.50 0.00 101 T 7.31 4.12 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 102 V 7.49 4.29 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 0.61 0.00 0.00 0.93 0.00 0.00 *103 L 7.35 4.13 0.00 1.57 1.64 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.