NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4629 8.1933 115.4112 57.7981 64.6149 174.3625 2 E 3.7490 8.8794 124.4946 58.4764 29.1717 177.6657 3 L 3.9210 8.7199 121.3643 58.5374 42.5940 178.3237 4 D 4.3899 7.8098 117.9953 57.2783 40.7919 178.8543 5 A 3.9597 7.9085 120.6875 55.1927 18.2971 179.6591 6 K 3.9328 7.8831 115.6957 59.3905 32.2869 179.1490 7 L 4.0767 8.3331 121.0372 58.3334 42.0966 178.8119 8 N 4.9432 8.5619 118.0796 55.7270 38.2241 177.3671 9 K 4.1052 7.8398 118.1911 58.3129 32.1914 178.1714 10 L 4.4666 7.9015 118.0570 54.3191 42.2257 177.2354 11 G 3.9925 8.1249 107.3896 44.9011 0.0000 173.8406 12 V 4.1910 7.5183 119.9375 61.4288 32.8631 174.2106 13 D 5.0808 8.2293 124.2391 51.9310 42.2395 175.1724 14 R 4.4582 8.3099 118.4108 56.2020 30.9448 176.3116 15 I 4.1311 7.8104 118.6412 61.2659 38.7247 175.6156 16 A 4.9391 8.4569 128.0353 51.4339 20.4999 175.0300 17 I 4.5714 9.1499 122.2643 60.2564 40.8113 174.6979 18 S 5.2492 8.4742 119.9088 55.9686 63.6220 172.4264 19 P 4.4888 0.0000 0.0000 64.5270 31.6700 176.1039 20 Y 4.7143 7.5537 117.0101 57.2292 38.8085 174.7136 21 K 4.0993 8.3449 122.9651 56.8834 33.2567 175.9992 22 Q 3.8978 8.8673 132.5648 56.9471 28.5587 173.8577 23 W 4.6993 7.6502 115.9222 56.6669 29.8043 176.2116 24 T 4.4124 8.4640 112.1929 61.1154 69.5687 173.4347 25 R 4.6334 8.1575 120.3448 54.4090 34.1706 174.9354 26 G 4.1195 8.7070 107.5122 43.7561 0.0000 172.9144 27 Y 4.3228 8.3136 121.4507 59.2818 39.1502 176.5613 28 M 2.9024 8.1970 124.0948 55.3059 29.3739 176.6590 29 E 4.1718 7.6716 119.5510 54.8920 30.3437 174.5424 30 P 4.3739 0.0000 0.0000 64.0300 31.8787 176.6341 31 G 4.0517 8.9136 110.0184 45.2864 0.0000 173.5793 32 N 4.5853 7.3980 116.0631 53.0996 39.3811 174.3600 33 I 4.2741 8.2316 121.8807 60.3291 38.7406 175.2537 34 G 4.3258 8.5484 111.2754 44.3556 0.0000 172.5135 35 N 5.1488 8.8958 115.4070 52.8374 38.7673 174.3288 36 G 4.1956 8.2553 106.2117 45.5031 0.0000 171.9465 37 Y 5.1146 7.7314 115.6445 55.7129 40.9275 174.5695 38 V 4.4698 8.4819 119.6011 61.3608 34.3115 174.4788 39 T 4.6863 8.3892 119.6639 60.4797 70.5099 171.9596 40 G 4.1642 8.1325 111.8240 44.5920 0.0000 171.8620 41 L 4.6387 8.3188 118.5833 52.5340 43.7800 176.3864 42 K 4.4988 8.6255 124.0776 54.5429 34.4098 175.4145 43 V 4.5100 8.2642 119.0999 59.6501 34.5313 174.8492 44 D 4.7007 8.3359 122.1445 53.1440 44.7738 174.5793 45 A 4.6934 8.4490 124.6143 50.4497 21.8943 175.5663 46 G 4.3144 8.4053 110.1153 44.0925 0.0000 171.7378 47 V 4.6300 7.9447 117.5589 59.8377 34.8248 174.3130 48 R 4.4561 8.1373 114.3553 57.1368 32.3887 176.9363 *64 R 4.2055 8.7603 115.0626 55.0744 32.4438 177.5516 65 A 3.9940 9.0688 125.8311 56.0339 19.6606 180.9012 66 E 3.9232 8.3259 114.7712 59.1323 29.5793 178.5571 67 T 4.6551 7.6675 106.5664 61.3810 69.5811 175.0170 68 K 4.3798 8.0975 122.7789 57.1523 34.2716 177.2778 69 N 3.8950 8.6500 119.8138 54.1752 37.8332 177.6933 70 A 3.9905 8.9311 133.2731 53.0836 18.0821 177.5790 71 Y 4.4191 8.6579 125.5217 58.0123 38.8574 175.3226 72 I 3.9608 7.7224 121.3499 57.9819 37.2731 177.9467 73 G 3.2707 7.8327 117.2108 46.2434 0.0000 174.5077 74 Q 4.3804 8.6004 120.7836 53.9230 27.4664 174.1231 75 I 4.4074 7.5832 120.7870 58.6980 41.0573 174.3715 76 N 4.8208 8.5471 122.6516 51.7246 39.6413 174.3727 77 M 4.6909 8.4193 120.8325 53.4111 33.7163 175.2479 78 T 4.6301 8.0921 109.5881 60.1153 71.6389 173.3155 79 T 4.3266 8.3832 120.1118 62.3066 69.8309 174.0289 80 A 4.8092 8.3520 128.7730 50.4378 21.3451 176.5681 81 S 4.1656 8.2950 115.0264 58.6560 63.0755 173.9265 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 S 8.19 4.46 0.00 4.01 4.06 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 0.00 0.00 0.00 0.00 2 E 8.88 3.75 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 3 L 8.72 3.92 0.00 1.74 1.65 0.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.81 4.39 0.00 2.87 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 5 A 7.91 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 6 K 7.88 3.93 0.00 1.90 1.88 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 7 L 8.33 4.08 0.00 1.94 1.69 0.89 0.51 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 8 N 8.56 4.94 0.00 2.93 2.84 0.00 0.00 6.57 7.63 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 9 K 7.84 4.11 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.70 7.81 10 L 7.90 4.47 0.00 1.71 1.69 0.91 0.97 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 11 G 8.12 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.52 4.19 2.16 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 0.96 0.00 0.00 0.91 0.00 0.00 13 D 8.23 5.08 0.00 2.72 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 14 R 8.31 4.46 0.00 1.74 1.86 0.00 3.29 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 15 I 7.81 4.13 1.97 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 1.27 0.88 0.91 0.00 0.00 16 A 8.46 4.94 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 17 I 9.15 4.57 2.00 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 1.12 0.77 0.92 0.00 0.00 18 S 8.47 5.25 0.00 3.80 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 19 P 0.00 4.49 0.00 2.38 2.21 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.15 0.00 20 Y 7.55 4.71 0.00 3.30 3.04 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 0.00 0.00 0.00 21 K 8.34 4.10 0.00 1.61 1.43 0.00 1.74 0.00 0.00 1.35 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.32 7.81 22 Q 8.87 3.90 0.00 1.94 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 23 W 7.65 4.70 0.00 3.75 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.46 4.41 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 1.27 0.00 0.00 25 R 8.16 4.63 0.00 1.73 1.87 0.00 2.21 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.10 0.00 26 G 8.71 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.31 4.32 0.00 2.90 2.89 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 28 M 8.20 2.90 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.95 0.00 29 E 7.67 4.17 0.00 2.08 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 2.28 2.33 0.00 30 P 0.00 4.37 0.00 2.17 2.04 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 31 G 8.91 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.40 4.59 0.00 2.73 2.76 0.00 0.00 6.83 7.33 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 33 I 8.23 4.27 1.88 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 1.24 0.66 0.92 0.00 0.00 34 G 8.55 4.33 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 0.00 35 N 8.90 5.15 0.00 2.91 2.84 0.00 0.00 6.67 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.26 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.73 5.11 0.00 2.58 2.41 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 38 V 8.48 4.47 2.13 0.00 0.00 0.00 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 0.95 0.00 0.00 39 T 8.39 4.69 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 1.25 0.00 0.00 40 G 8.13 4.16 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 0.00 0.00 0.00 41 L 8.32 4.64 0.00 1.58 1.57 0.92 0.75 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 42 K 8.63 4.50 0.00 1.65 1.64 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.43 7.81 43 V 8.26 4.51 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 0.81 0.00 0.00 0.93 0.00 0.00 44 D 8.34 4.70 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.45 4.69 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.41 4.31 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 0.00 47 V 7.94 4.63 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 0.82 0.00 0.00 0.93 0.00 0.00 48 R 8.14 4.46 0.00 1.87 1.78 0.00 3.07 0.00 0.00 3.23 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 *64 R 8.76 4.21 0.00 1.90 1.81 0.00 3.33 0.00 0.00 3.35 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 65 A 9.07 3.99 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 66 E 8.33 3.92 0.00 1.97 1.98 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 2.39 2.22 0.00 67 T 7.67 4.66 4.38 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 1.39 0.00 0.00 68 K 8.10 4.38 0.00 1.86 1.80 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.61 7.81 69 N 8.65 3.90 0.00 2.98 1.96 0.00 0.00 6.94 7.35 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 70 A 8.93 3.99 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 71 Y 8.66 4.42 0.00 2.93 2.99 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 0.00 0.00 0.00 72 I 7.72 3.96 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.86 0.00 0.00 73 G 7.83 3.27 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 0.00 74 Q 8.60 4.38 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 75 I 7.58 4.41 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.83 0.00 0.00 76 N 8.55 4.82 0.00 2.69 2.70 0.00 0.00 6.83 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 77 M 8.42 4.69 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 78 T 8.09 4.63 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 1.19 0.00 0.00 79 T 8.38 4.33 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 1.19 0.00 0.00 80 A 8.35 4.81 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.29 4.17 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.