NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.3309 8.4401 121.4698 55.6152 33.2214 176.1909 13 A 3.5876 8.1918 111.7425 53.7445 17.9804 176.5392 14 R 4.0296 10.3009 120.4162 60.0672 31.5013 174.5782 15 K 4.1186 7.8009 114.8199 57.2329 31.9331 176.9963 16 L 3.9015 8.6822 121.1465 57.5418 42.4575 177.6162 17 S 4.1305 9.1826 112.9376 60.5943 62.2997 173.9998 18 P 4.2718 0.0000 0.0000 66.4855 30.9449 177.7414 19 V 3.5726 8.0038 115.8748 65.9776 31.2135 177.1911 20 E 3.7085 8.5495 117.5020 59.8134 29.8266 179.8989 21 L 3.9787 10.1052 118.5107 57.5520 41.5513 179.0841 22 E 3.8738 10.0940 119.0683 59.8526 29.3551 178.9291 23 K 4.4981 8.7584 120.5101 59.6674 32.4752 177.4013 24 L 3.8008 8.0410 119.3641 57.9781 41.5417 179.8277 25 V 3.6163 7.8142 117.8828 65.1843 31.0445 178.6172 26 R 4.2194 8.5618 115.0293 56.2212 29.6829 176.6019 27 E 4.4240 7.4516 121.2141 57.0313 31.8526 177.9880 28 K 3.6864 8.3394 118.7877 59.3216 32.3312 178.3696 29 K 3.9027 8.3372 119.1543 59.4825 31.7691 178.9323 30 R 3.8461 7.8903 117.1743 59.7083 30.1804 177.8501 31 E 3.9473 7.8451 117.2974 57.6309 29.7431 178.7975 32 L 4.1501 8.7187 118.8563 55.7675 41.8458 180.5827 33 M 2.8132 9.7995 112.4105 56.4309 33.6299 176.5219 34 E 4.2619 8.3178 118.3963 55.6272 31.4968 176.4602 35 L 4.1675 8.3722 125.6326 55.7467 39.7960 177.2807 36 R 4.6047 7.3475 130.6300 54.4317 30.4157 176.4096 37 F 5.0679 7.2252 116.7852 58.3879 41.0829 172.5905 38 Q 3.8439 8.3729 126.3027 57.9661 29.1142 177.6239 39 A 4.0921 7.0105 122.4838 51.8972 17.2976 178.9772 40 S 3.6322 6.8417 110.7358 62.5500 63.2095 176.1094 41 I 3.4242 7.8775 117.7863 63.6961 40.0783 180.3509 42 G 3.5937 7.8852 98.6893 46.9360 0.0000 175.5868 43 Q 4.1291 5.7400 116.3653 56.9740 29.2814 175.8618 44 L 4.5541 8.4301 118.6631 56.7436 44.4215 178.6407 45 S 4.3582 8.6506 108.3960 59.1259 61.6679 175.5677 46 Q 4.0008 8.3364 123.3482 59.0948 29.1012 177.8628 47 N 5.4826 8.1247 118.1145 54.8744 37.0632 175.6130 48 H 4.4870 7.6269 118.4963 56.2797 29.6780 174.0835 49 K 4.6767 8.8184 123.3374 57.6940 40.3500 176.3423 50 I 3.7353 8.7595 125.7858 63.8322 38.0180 172.3338 51 R 3.7849 7.8594 127.7947 55.2364 27.3964 172.5083 52 D 4.6096 7.8261 122.8727 53.2528 39.5384 175.3362 53 L 3.9210 9.0874 119.2632 56.1110 42.3766 176.6292 54 K 4.3383 8.7388 130.4993 57.0886 29.2411 177.6813 55 R 3.9710 7.9682 116.2340 57.6935 29.3968 178.0508 56 Q 3.9411 8.5806 116.8334 53.7246 29.1994 175.6599 57 I 2.7807 7.5264 115.1431 62.0660 37.8494 173.5664 58 A 4.3313 8.3046 129.6584 50.4079 18.8676 176.8451 59 R 3.9184 8.7606 123.5669 57.1594 28.9517 174.9212 60 L 3.4939 7.7563 124.4281 54.9425 42.9668 176.6475 61 L 3.3651 8.4695 128.6897 56.5701 37.9684 175.2355 *62 T 4.1515 7.6699 114.0215 61.1167 69.1019 175.7733 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 12 E 8.44 4.33 0.00 1.94 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 2.19 2.31 0.00 13 A 8.19 3.59 1.10 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 0.00 0.00 14 R 10.30 4.03 0.00 1.78 1.98 0.00 3.33 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 15 K 7.80 4.12 0.00 1.85 1.79 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.46 7.81 16 L 8.68 3.90 0.00 1.89 1.75 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.18 4.13 0.00 4.15 3.82 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 0.00 0.00 0.00 18 P 0.00 4.27 0.00 2.19 2.10 0.00 3.62 0.00 0.00 3.79 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 19 V 8.00 3.57 2.26 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 1.06 0.00 0.00 0.93 0.00 0.00 20 E 8.55 3.71 0.00 2.23 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 2.33 2.53 0.00 21 L 10.11 3.98 0.00 1.80 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 E 10.09 3.87 0.00 2.31 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 2.30 2.31 0.00 23 K 8.76 4.50 0.00 1.90 2.05 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 24 L 8.04 3.80 0.00 1.99 1.65 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.81 3.62 2.26 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 1.06 0.00 0.00 0.92 0.00 0.00 26 R 8.56 4.22 0.00 1.79 1.98 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 27 E 7.45 4.42 0.00 1.91 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 0.00 2.12 2.16 0.00 28 K 8.34 3.69 0.00 1.78 1.67 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.60 1.03 7.81 29 K 8.34 3.90 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 R 7.89 3.85 0.00 1.77 2.00 0.00 3.39 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 31 E 7.85 3.95 0.00 1.78 1.76 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 1.97 2.19 0.00 32 L 8.72 4.15 0.00 1.74 1.57 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 M 9.80 2.81 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 34 E 8.32 4.26 0.00 2.09 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 2.29 2.25 0.00 35 L 8.37 4.17 0.00 1.79 1.81 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.35 4.60 0.00 1.77 1.96 0.00 3.33 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 37 F 7.23 5.07 0.00 2.96 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 38 Q 8.37 3.84 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.53 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 39 A 7.01 4.09 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 40 S 6.84 3.63 0.00 3.98 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 41 I 7.88 3.42 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 1.34 0.91 0.93 0.00 0.00 42 G 7.89 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 43 Q 5.74 4.13 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 44 L 8.43 4.55 0.00 1.95 1.66 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.65 4.36 0.00 3.92 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 46 Q 8.34 4.00 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 47 N 8.12 5.48 0.00 3.10 3.07 0.00 0.00 6.37 7.90 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 48 H 7.63 4.49 0.00 3.18 3.55 0.00 5.81 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.82 4.68 0.00 1.87 1.47 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.24 7.81 50 I 8.76 3.74 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 1.30 1.12 0.91 0.00 0.00 51 R 7.86 3.78 0.00 1.99 2.05 0.00 3.42 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 52 D 7.83 4.61 0.00 2.81 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 53 L 9.09 3.92 0.00 1.74 1.64 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.74 4.34 0.00 1.88 2.11 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.23 7.81 55 R 7.97 3.97 0.00 1.71 2.04 0.00 3.26 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 1.65 1.62 0.00 56 Q 8.58 3.94 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.54 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 57 I 7.53 2.78 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 1.42 0.65 0.91 0.00 0.00 58 A 8.30 4.33 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 59 R 8.76 3.92 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 60 L 7.76 3.49 0.00 1.64 1.54 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.47 3.37 0.00 1.85 1.78 0.92 0.88 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 *62 T 7.67 4.15 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 * Residues marked with a * may have inaccurate shift predictions.