NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3762 8.2893 120.3260 54.2547 33.2621 173.9395 2 P 4.5698 0.0000 0.0000 61.6301 30.4685 174.3640 3 R 4.3129 9.0189 126.2626 56.7057 32.8333 176.2251 4 L 5.0693 8.8235 120.8568 53.1054 44.5701 175.6150 5 K 4.8399 9.1081 124.8536 54.8805 34.0978 174.8834 6 V 4.8325 9.3579 129.0947 60.8804 34.3804 173.9680 7 K 4.9053 8.4447 128.4189 54.2138 35.1841 174.5666 8 L 4.4069 8.6200 130.0108 55.6830 42.2059 177.1101 9 V 4.7618 9.0955 119.7731 60.1611 33.9309 176.2267 10 K 4.4198 7.7950 120.6159 53.9616 34.3743 175.3935 11 S 4.1467 8.8857 120.9203 58.6582 62.7186 172.1551 12 P 4.7959 0.0000 0.0000 62.8769 31.9731 174.0515 13 I 3.9167 7.3092 120.9651 65.9192 36.4952 175.0031 14 G 3.7706 8.6275 112.7606 45.4607 0.0000 172.0960 15 Y 4.5354 8.1312 117.9507 55.7375 39.9742 174.3131 16 P 4.4895 0.0000 0.0000 62.2067 33.3822 177.5512 17 K 3.8552 8.7572 119.9726 59.9982 31.9886 178.6579 18 D 4.4339 8.2351 118.4690 57.2186 38.8608 179.0654 19 Q 4.0852 8.1117 119.2533 58.1492 28.6056 178.7274 20 K 4.0806 8.0661 119.1039 58.7911 31.9438 179.4330 21 A 3.9649 8.6719 121.6245 54.9905 18.4139 179.1013 22 A 3.9078 8.4327 119.8070 55.7554 18.3116 179.6950 23 L 3.9620 7.6927 116.7751 58.0093 41.6150 179.8544 24 K 3.9095 7.7785 119.2656 59.4067 31.8894 178.7957 25 A 4.0164 8.0172 120.5762 55.0226 18.4531 179.1231 26 L 4.1940 8.3134 115.6951 55.1718 41.8081 177.7840 27 G 3.7274 7.5769 106.5400 46.3044 0.0000 173.9039 28 L 4.7020 8.0527 121.2158 53.3278 40.7885 176.6685 29 R 4.2262 8.8759 123.1430 57.7279 31.0396 177.9471 30 R 4.3280 7.4099 117.3764 55.2107 31.2617 176.6049 31 L 4.1582 8.1494 119.3620 55.5881 42.1897 177.4198 32 Q 3.9089 9.1476 117.1471 56.8937 27.2366 172.6575 33 Q 4.5562 7.4459 120.0334 55.1954 30.4342 174.2483 34 E 5.0229 8.7184 126.0432 55.2093 31.1743 175.5023 35 R 4.6021 9.4073 124.3553 54.5804 33.9023 174.1542 36 V 4.8237 8.5327 119.1395 59.9542 33.0775 174.9305 37 L 4.8728 8.5647 125.5976 52.0831 45.4612 175.9916 38 E 4.0718 8.8116 122.3811 56.9428 30.1681 176.6327 39 D 4.5996 8.7790 126.7758 53.6208 39.9761 175.5059 40 T 4.7624 7.8158 115.7183 58.2086 73.3779 172.6112 41 P 4.3605 0.0000 0.0000 66.2430 31.4845 178.0279 42 A 3.9138 8.2092 118.1622 55.9458 17.9299 179.2209 43 I 3.6826 7.9295 115.6634 64.4492 37.3842 178.8872 44 R 4.0210 9.2188 119.4445 59.3730 29.7242 179.1882 45 G 3.6459 8.1591 104.3632 47.9059 0.0000 175.2570 46 N 4.4491 7.8169 117.7287 56.1185 38.3830 177.4215 47 V 3.5111 7.3472 119.8077 66.3478 31.5156 177.6055 48 E 3.8601 8.8121 118.3223 59.5959 29.1396 179.4664 49 K 4.0166 8.1044 118.3013 58.6876 32.4008 178.3628 50 V 4.0256 7.0441 110.9380 60.8053 32.3821 177.6989 51 A 3.8754 7.5635 125.0310 55.8266 18.2047 180.1216 52 H 4.5573 7.6353 107.5479 56.7661 29.1071 175.3799 53 L 4.6340 8.1045 119.9920 54.5984 43.2760 175.7723 54 V 4.9440 7.6426 118.1066 61.0267 35.5058 174.5340 55 R 4.6625 8.6972 122.0528 54.2607 32.9111 174.9966 56 V 4.8444 8.4709 123.5126 61.0098 34.1392 174.1714 57 E 4.6894 8.7714 127.6825 54.2859 32.4661 175.2076 58 V 4.0594 8.4702 126.4860 63.2287 33.0905 176.3657 59 V 4.2123 8.6041 127.9769 62.3501 33.3715 175.0836 *60 E 4.1603 8.4383 121.2501 55.6752 30.3181 174.8075 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 1 M 8.29 4.38 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.57 0.00 2.25 2.14 0.00 3.37 0.00 0.00 4.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 3 R 9.02 4.31 0.00 1.79 2.04 0.00 3.09 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 4 L 8.82 5.07 0.00 1.55 1.54 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.11 4.84 0.00 1.76 1.66 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.35 7.81 6 V 9.36 4.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 7 K 8.44 4.91 0.00 1.82 1.59 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 8 L 8.62 4.41 0.00 1.80 1.55 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.10 4.76 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 0.87 0.00 0.00 0.94 0.00 0.00 10 K 7.79 4.42 0.00 1.66 1.63 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.47 7.81 11 S 8.89 4.15 0.00 3.90 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 12 P 0.00 4.80 0.00 2.32 2.26 0.00 3.82 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 2.06 1.98 0.00 13 I 7.31 3.92 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.93 0.00 0.00 14 G 8.63 3.77 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 0.00 0.00 0.00 15 Y 8.13 4.54 0.00 3.06 2.92 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 0.00 0.00 0.00 0.00 16 P 0.00 4.49 0.00 2.46 2.01 0.00 3.98 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 17 K 8.76 3.86 0.00 1.77 1.91 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.49 7.81 18 D 8.24 4.43 0.00 2.87 2.98 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 19 Q 8.11 4.09 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 20 K 8.07 4.08 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.66 7.81 21 A 8.67 3.96 1.37 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 0.00 0.00 0.00 22 A 8.43 3.91 1.37 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 0.00 0.00 0.00 23 L 7.69 3.96 0.00 1.80 1.91 0.88 1.21 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 24 K 7.78 3.91 0.00 1.78 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 8.02 4.02 1.34 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 0.00 0.00 0.00 26 L 8.31 4.19 0.00 1.55 1.71 0.90 0.91 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 27 G 7.58 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 28 L 8.05 4.70 0.00 1.60 1.64 0.89 0.92 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 29 R 8.88 4.23 0.00 1.74 1.90 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 30 R 7.41 4.33 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 L 8.15 4.16 0.00 1.71 1.59 0.96 0.94 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 32 Q 9.15 3.91 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.45 4.56 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 34 E 8.72 5.02 0.00 1.88 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 2.25 2.29 0.00 35 R 9.41 4.60 0.00 1.78 1.69 0.00 3.11 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 36 V 8.53 4.82 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 0.77 0.00 0.00 0.93 0.00 0.00 37 L 8.56 4.87 0.00 1.55 1.51 0.94 0.53 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 38 E 8.81 4.07 0.00 1.95 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 2.29 2.38 0.00 39 D 8.78 4.60 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.76 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 1.26 0.00 0.00 41 P 0.00 4.36 0.00 2.17 2.14 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 42 A 8.21 3.91 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 43 I 7.93 3.68 2.00 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 1.51 1.30 0.90 0.00 0.00 44 R 9.22 4.02 0.00 2.11 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 45 G 8.16 3.65 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 0.00 0.00 0.00 46 N 7.82 4.45 0.00 2.89 2.84 0.00 0.00 6.59 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 47 V 7.35 3.51 2.17 0.00 0.00 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 0.99 0.00 0.00 48 E 8.81 3.86 0.00 2.17 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 2.55 2.47 0.00 49 K 8.10 4.02 0.00 1.88 1.96 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 50 V 7.04 4.03 1.90 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 0.67 0.00 0.00 0.95 0.00 0.00 51 A 7.56 3.88 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 52 H 7.64 4.56 0.00 3.21 3.43 0.00 5.68 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.10 4.63 0.00 1.41 1.78 0.58 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.64 4.94 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 0.82 0.00 0.00 0.91 0.00 0.00 55 R 8.70 4.66 0.00 1.76 1.77 0.00 3.12 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 56 V 8.47 4.84 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 0.76 0.00 0.00 0.91 0.00 0.00 57 E 8.77 4.69 0.00 2.05 1.72 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 2.18 2.21 0.00 58 V 8.47 4.06 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 0.79 0.00 0.00 0.93 0.00 0.00 59 V 8.60 4.21 2.19 0.00 0.00 0.00 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 0.93 0.00 0.00 *60 E 8.44 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.