NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2922 0.0000 0.0000 63.6601 32.0048 175.8850 3 K 4.0477 8.1938 118.9196 55.3184 32.0611 174.3165 4 M 4.3007 9.3371 128.3534 54.3403 33.2377 176.0824 5 K 4.0976 8.5355 124.4305 56.4246 32.8781 176.6371 6 T 4.1828 8.3051 113.8103 60.6856 69.7502 173.4023 7 H 4.0646 8.5300 127.1182 55.9578 28.7936 175.2761 8 K 4.0976 8.5778 126.1607 58.6385 31.6655 178.9866 9 G 3.5805 8.1685 104.9819 47.8460 0.0000 175.3774 10 A 4.0573 7.9186 123.5205 54.2719 18.1538 179.3653 11 K 3.6810 7.8966 117.5522 59.5778 32.4035 178.4998 12 K 4.4947 7.5644 115.0943 56.8368 31.8933 177.9508 13 R 4.6717 7.6254 114.1791 55.7046 30.5386 174.7495 14 V 4.5639 7.5951 116.0690 62.4420 34.7356 172.2648 15 K 4.7475 8.8172 129.3404 54.6479 34.6091 174.4998 16 I 4.4983 8.5465 128.0982 60.2194 38.7902 176.1506 17 T 4.1651 8.3170 120.4853 61.4299 69.3878 173.3650 18 A 4.1563 8.8635 123.5153 54.9894 18.4011 178.0790 19 S 4.7388 7.5056 107.6766 57.6830 66.1227 174.5209 20 G 3.4752 9.0945 113.5679 44.9283 0.0000 176.8946 21 K 3.2435 8.3757 122.8745 56.8473 28.4189 173.0996 22 V 4.3833 7.6291 125.0986 62.1504 33.3620 174.8677 23 V 5.0421 8.6815 124.7416 60.5870 35.3620 173.7672 24 A 4.8014 8.2310 126.1394 51.1420 22.7438 175.2676 25 M 4.7223 8.4072 118.4531 54.4886 32.9004 177.1213 26 K 4.2951 8.5404 120.9731 56.7991 32.9228 177.2534 27 T 4.2564 8.4596 114.0806 61.5330 70.2949 174.1585 28 G 3.9756 10.3079 107.6906 45.3680 0.0000 174.5266 29 K 4.6202 7.5124 113.1100 55.6753 32.4554 176.0676 30 R 4.5905 7.6615 116.0169 56.9882 32.3571 175.7848 31 H 4.7590 7.8257 113.5309 55.3560 29.4873 175.3254 32 L 4.0005 8.4364 120.6652 57.4666 42.0112 176.3933 33 N 3.8818 6.3697 116.7692 49.4410 40.5010 173.9856 34 W 4.4844 7.6440 135.0000 57.9454 28.2093 175.3679 35 Q 3.6877 6.6054 121.3463 53.1438 28.1186 172.2794 36 K 4.2843 7.6866 118.4652 53.8121 35.0515 176.2778 37 S 3.9117 8.6900 118.1598 58.4025 63.2207 175.7580 38 G 4.0215 8.9393 110.8625 48.0031 0.0000 175.1457 39 K 3.8217 7.2390 119.8569 60.5025 32.1370 177.5800 40 E 4.0654 9.8206 119.9576 57.1887 28.9367 178.8574 41 I 3.6319 7.6092 125.0426 64.7927 37.8870 177.3392 42 R 4.1740 8.1976 117.8606 57.3618 30.4885 176.9025 43 Q 4.7342 9.7615 117.6555 55.7208 30.9341 176.3692 44 K 4.6943 7.7778 116.0843 54.6158 34.2852 176.0050 45 G 3.6205 8.3282 113.4268 46.3535 0.0000 173.1791 46 R 5.0737 8.4611 122.5382 56.3577 34.9745 173.8363 47 K 4.3059 7.8724 117.7154 57.6446 36.5905 173.3774 48 F 5.4803 8.9702 118.5425 56.0839 40.9024 175.7231 49 V 4.4224 8.0229 116.1079 59.5474 33.1822 175.2993 50 L 4.4602 8.5114 125.9755 54.1300 44.6260 176.0199 51 A 4.9428 8.7680 130.7250 53.3812 17.7542 180.0953 52 K 4.1195 7.6927 114.1527 58.7844 32.0080 177.6850 53 P 4.2754 0.0000 0.0000 65.6680 30.9772 178.2583 54 E 3.9342 7.8132 117.2218 59.7738 28.8482 178.3649 55 A 4.1096 8.1816 120.9238 53.5833 18.5914 179.0617 56 E 3.7437 8.4350 115.8411 59.8318 30.1713 179.3066 57 R 3.7281 9.2029 117.3272 59.2889 29.7844 180.1837 58 I 3.4846 7.3390 121.0652 63.9608 37.8920 176.5260 59 K 4.5739 7.9557 118.1946 56.3531 31.8901 177.0773 60 L 4.8276 8.2344 118.0209 54.1137 42.7275 178.2276 61 L 4.0079 7.7681 119.3029 56.9513 40.4240 177.5653 62 L 4.1486 8.3032 122.2907 56.4311 43.9925 176.5329 63 P 4.7938 0.0000 0.0000 62.7637 29.2835 177.2765 64 Y 3.2594 9.3830 110.0290 62.4605 38.5051 176.5699 *65 E 4.1515 8.2308 123.2933 56.5127 30.5285 178.0006 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 4.29 0.00 2.19 2.03 0.00 3.76 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 1.88 1.96 0.00 3 K 8.19 4.05 0.00 1.84 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.53 7.81 4 M 9.34 4.30 0.00 2.05 2.01 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 2.60 2.56 0.00 5 K 8.54 4.10 0.00 1.73 1.74 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 6 T 8.31 4.18 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 1.28 0.00 0.00 7 H 8.53 4.06 0.00 3.20 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.58 4.10 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.61 7.81 9 G 8.17 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.06 1.20 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 11 K 7.90 3.68 0.00 1.76 2.05 0.00 2.14 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.59 1.77 7.81 12 K 7.56 4.49 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.78 7.81 13 R 7.63 4.67 0.00 1.87 1.93 0.00 3.08 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.53 0.00 14 V 7.60 4.56 2.18 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 0.59 0.00 0.00 0.96 0.00 0.00 15 K 8.82 4.75 0.00 1.96 1.69 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 16 I 8.55 4.50 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.08 1.17 0.00 0.00 17 T 8.32 4.17 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 1.41 0.00 0.00 18 A 8.86 4.16 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 19 S 7.51 4.74 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.09 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.24 0.00 1.79 1.38 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.81 1.30 7.81 22 V 7.63 4.38 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.88 0.00 0.00 23 V 8.68 5.04 2.28 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 1.43 0.00 0.00 1.19 0.00 0.00 24 A 8.23 4.80 1.27 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 25 M 8.41 4.72 0.00 2.03 2.02 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 2.37 0.00 26 K 8.54 4.30 0.00 1.64 1.75 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.38 7.81 27 T 8.46 4.26 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 10.31 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 0.00 0.00 0.00 29 K 7.51 4.62 0.00 1.85 1.84 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.47 7.81 30 R 7.66 4.59 0.00 1.79 1.96 0.00 3.43 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 31 H 7.83 4.76 0.00 3.24 3.30 0.00 5.53 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.44 4.00 0.00 1.72 1.77 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 N 6.37 3.88 0.00 2.81 2.82 0.00 0.00 6.80 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 7.64 4.48 0.00 3.35 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 6.61 3.69 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.57 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 36 K 7.69 4.28 0.00 1.65 1.62 0.00 1.84 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.34 7.81 37 S 8.69 3.91 0.00 3.94 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 8.94 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.24 3.82 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 40 E 9.82 4.07 0.00 2.17 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 2.31 2.31 0.00 41 I 7.61 3.63 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.43 0.91 0.00 0.00 42 R 8.20 4.17 0.00 1.84 1.99 0.00 3.22 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 43 Q 9.76 4.73 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 44 K 7.78 4.69 0.00 1.83 1.72 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.45 7.81 45 G 8.33 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 5.07 0.00 1.64 1.86 0.00 3.26 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 47 K 7.87 4.31 0.00 1.81 1.90 0.00 1.24 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.63 7.81 48 F 8.97 5.48 0.00 2.85 2.96 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 0.00 0.00 0.00 0.00 49 V 8.02 4.42 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 0.64 0.00 0.00 0.98 0.00 0.00 50 L 8.51 4.46 0.00 1.56 1.53 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.77 4.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.12 0.00 1.97 1.85 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 53 P 0.00 4.28 0.00 2.17 2.23 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 54 E 7.81 3.93 0.00 2.27 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 2.29 2.33 0.00 55 A 8.18 4.11 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 56 E 8.43 3.74 0.00 2.16 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 2.24 2.35 0.00 57 R 9.20 3.73 0.00 2.04 1.84 0.00 3.18 0.00 0.00 3.13 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 58 I 7.34 3.48 2.11 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 1.28 0.69 0.90 0.00 0.00 59 K 7.96 4.57 0.00 1.79 1.81 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.37 7.81 60 L 8.23 4.83 0.00 1.35 1.15 0.57 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.77 4.01 0.00 1.74 1.62 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.30 4.15 0.00 1.68 1.85 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.79 0.00 2.61 1.51 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.09 0.00 64 Y 9.38 3.26 0.00 3.06 2.91 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 *65 E 8.23 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.