NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.0208 0.0000 0.0000 63.3730 32.5345 177.4112 3 K 4.2131 7.9191 117.7716 56.1712 29.9090 172.9384 4 M 4.1973 9.1927 127.6817 55.5063 33.4863 175.8171 5 K 4.4682 8.2827 121.4379 55.0122 33.7205 176.6759 6 T 4.0010 8.3349 113.8096 61.3056 69.5846 173.8730 7 H 4.1910 8.5996 126.1725 56.0869 28.6740 175.5069 8 K 4.1644 8.5281 127.2299 59.0529 31.6904 179.1065 9 G 3.6655 7.8591 104.8578 47.3459 0.0000 175.3763 10 A 4.1111 8.3644 122.7267 54.9155 18.4431 179.2720 11 K 3.5798 8.1139 116.2798 59.9534 32.2711 178.2163 12 K 4.3463 7.7760 115.9765 57.8875 31.9228 177.7588 13 R 4.7322 8.5373 116.6451 55.0445 30.2159 175.0598 14 V 4.3909 7.5873 114.4042 61.6801 33.8450 171.7994 15 K 4.5979 8.9145 126.6520 54.6281 34.6849 174.3516 16 I 4.7994 8.2794 126.3745 59.8700 39.6038 175.4392 17 T 4.5465 8.8760 119.6785 60.3513 71.3452 174.8101 18 A 4.0204 8.5807 122.9323 55.9393 18.4615 179.2652 19 S 4.1991 7.9450 109.2350 59.7614 63.0765 175.0958 20 G 3.8872 7.7629 108.3122 45.3071 0.0000 173.6866 21 K 4.2020 7.6660 118.4908 55.5160 33.5362 175.9178 22 V 4.6549 8.1178 122.3529 61.2560 33.8414 174.3698 23 V 5.6382 9.5235 127.5533 60.4753 34.2939 174.1448 24 A 5.1876 8.3625 127.4749 50.2694 23.5196 174.5867 25 M 4.3993 8.5291 118.7337 55.2280 33.6087 175.9923 26 K 4.5033 8.3257 119.1392 54.9392 33.6238 176.8964 27 T 4.0572 8.2378 114.6326 62.2170 69.4794 173.4690 28 G 3.6617 8.1654 112.0592 45.4413 0.0000 174.4422 29 K 4.6834 7.6456 117.9662 56.8077 33.2490 177.4583 30 R 4.2219 8.2391 119.8592 59.1957 30.3599 176.6593 31 H 4.6843 7.9272 109.8560 55.5676 31.5666 174.5719 32 L 4.0018 8.4778 121.0959 58.2720 41.6118 177.2765 33 N 4.2600 7.5224 113.4413 52.3183 39.4103 174.5605 34 W 4.8099 8.1971 135.0000 58.6335 30.7101 173.9359 35 Q 4.2584 7.0908 114.0627 55.3182 29.4356 172.1634 36 K 4.5931 8.0730 123.1329 53.7626 36.4327 176.8543 37 S 4.2069 8.6317 116.7687 58.3038 63.4253 175.5844 38 G 3.6131 8.6936 110.3005 48.6312 0.0000 175.5984 39 K 3.7535 8.2092 120.7092 59.3473 31.7008 177.4003 40 E 4.1354 7.5512 118.2779 57.6922 29.8644 178.0135 41 I 3.8031 7.9885 123.6081 65.0537 37.9772 177.2908 42 R 4.0275 8.1283 118.7684 59.7548 30.0640 179.2448 43 Q 4.4096 7.7597 116.2789 56.0282 27.6048 177.9733 44 K 4.6502 7.6236 115.2215 54.4489 33.5493 177.3448 45 G 4.2292 7.6876 114.7735 45.4516 0.0000 169.8216 46 R 4.7309 8.7339 126.0010 55.4979 30.1934 175.4410 47 K 4.2584 7.8814 124.0783 57.7946 33.4104 174.1232 48 F 5.2287 7.7913 118.1064 56.7329 40.6661 175.3921 49 V 4.3922 7.6203 110.8450 61.1811 34.8710 172.3360 50 L 4.6009 7.9287 123.2973 54.3456 45.0451 174.9447 51 A 4.9655 9.6843 130.1939 53.7860 17.9798 180.6936 52 K 3.9967 7.7727 113.9351 58.9001 32.1017 177.7434 53 P 4.2563 0.0000 0.0000 65.4976 31.4566 178.1815 54 E 3.9267 7.8862 117.7071 58.3992 29.2117 178.7158 55 A 4.1422 7.6362 120.3366 54.3120 19.7112 178.4007 56 E 3.7707 8.0447 118.0525 59.8091 29.4878 179.5551 57 R 3.8195 8.2785 117.9397 59.3783 30.0015 178.9635 58 I 3.6495 7.3969 117.9192 63.8417 37.3678 177.4942 59 K 4.3263 7.9267 118.3118 56.3621 33.5130 176.6001 60 L 4.8231 7.5188 121.3441 53.1754 39.7571 175.5403 61 L 4.1168 6.9231 120.4205 57.9104 41.6313 179.1143 62 L 4.1062 7.9390 123.2735 55.6721 42.3944 176.1258 63 P 4.6494 0.0000 0.0000 62.2774 32.8996 176.1803 64 Y 3.1916 8.0802 119.1056 59.1521 37.2210 171.5069 *65 E 4.1515 8.5290 114.1979 56.7390 30.5285 171.4536 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 2 P 0.00 4.02 0.00 2.20 2.12 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 K 7.92 4.21 0.00 1.89 2.07 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.53 7.81 4 M 9.19 4.20 0.00 2.06 2.00 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 2.61 2.58 0.00 5 K 8.28 4.47 0.00 1.74 1.73 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 6 T 8.33 4.00 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 1.26 0.00 0.00 7 H 8.60 4.19 0.00 3.17 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.53 4.16 0.00 1.86 1.84 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.59 7.81 9 G 7.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 4.11 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 11 K 8.11 3.58 0.00 1.80 1.95 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.42 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.83 7.81 12 K 7.78 4.35 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.79 7.81 13 R 8.54 4.73 0.00 1.77 1.93 0.00 3.10 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 14 V 7.59 4.39 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 0.57 0.00 0.00 0.92 0.00 0.00 15 K 8.91 4.60 0.00 1.90 1.72 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.52 7.81 16 I 8.28 4.80 1.77 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 1.44 1.14 0.94 0.00 0.00 17 T 8.88 4.55 4.29 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 1.29 0.00 0.00 18 A 8.58 4.02 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.95 4.20 0.00 3.84 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 20 G 7.76 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 21 K 7.67 4.20 0.00 1.65 1.39 0.00 1.64 0.00 0.00 0.77 0.00 0.00 2.62 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.05 1.24 7.81 22 V 8.12 4.65 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 0.94 0.00 0.00 0.88 0.00 0.00 23 V 9.52 5.64 2.14 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 1.25 0.00 0.00 1.07 0.00 0.00 24 A 8.36 5.19 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.53 4.40 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 26 K 8.33 4.50 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.33 7.81 27 T 8.24 4.06 4.25 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 1.22 0.00 0.00 28 G 8.17 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.65 4.68 0.00 1.99 1.83 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.46 7.81 30 R 8.24 4.22 0.00 1.86 2.05 0.00 3.42 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 31 H 7.93 4.68 0.00 3.23 3.31 0.00 5.55 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 32 L 8.48 4.00 0.00 1.70 1.82 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.52 4.26 0.00 2.77 2.82 0.00 0.00 6.72 7.68 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 34 W 8.20 4.81 0.00 3.28 3.31 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 35 Q 7.09 4.26 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.51 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 36 K 8.07 4.59 0.00 1.69 1.61 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 37 S 8.63 4.21 0.00 3.96 3.98 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 38 G 8.69 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.21 3.75 0.00 1.78 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.48 7.81 40 E 7.55 4.14 0.00 2.16 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 2.33 2.42 0.00 41 I 7.99 3.80 1.86 0.00 0.00 0.83 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 0.62 0.91 0.00 0.00 42 R 8.13 4.03 0.00 1.76 2.13 0.00 3.25 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 43 Q 7.76 4.41 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 44 K 7.62 4.65 0.00 1.94 1.70 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.46 7.81 45 G 7.69 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 0.00 0.00 0.00 0.00 46 R 8.73 4.73 0.00 1.80 1.77 0.00 3.43 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 47 K 7.88 4.26 0.00 2.00 1.96 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.23 7.81 48 F 7.79 5.23 0.00 3.02 2.93 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 0.00 0.00 0.00 49 V 7.62 4.39 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 0.61 0.00 0.00 0.99 0.00 0.00 50 L 7.93 4.60 0.00 1.50 1.47 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 A 9.68 4.97 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 52 K 7.77 4.00 0.00 1.85 1.86 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 53 P 0.00 4.26 0.00 2.21 2.27 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 54 E 7.89 3.93 0.00 2.22 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 2.30 2.29 0.00 55 A 7.64 4.14 1.30 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 0.00 0.00 0.00 56 E 8.04 3.77 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 57 R 8.28 3.82 0.00 1.83 1.93 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 58 I 7.40 3.65 1.99 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 1.72 0.72 0.90 0.00 0.00 59 K 7.93 4.33 0.00 1.95 1.82 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.41 7.81 60 L 7.52 4.82 0.00 1.46 1.45 0.46 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 61 L 6.92 4.12 0.00 1.75 1.66 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.94 4.11 0.00 1.69 1.80 0.97 1.00 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 63 P 0.00 4.65 0.00 2.69 2.19 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 64 Y 8.08 3.19 0.00 3.00 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 *65 E 8.53 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.