NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7489 8.3193 115.3326 57.9615 64.8004 170.8378 2 W 4.2614 8.7627 128.3161 56.7100 31.5172 176.1689 3 D 4.6423 8.0810 110.2086 51.5023 46.3804 177.6201 4 V 4.1253 8.1081 117.5310 62.1572 36.6405 174.0804 5 I 4.4018 8.7309 135.0000 62.0944 37.7852 173.9954 6 K 4.5281 8.9079 126.9571 57.8341 33.5160 177.0375 7 H 4.7965 5.2900 116.7748 54.6160 32.8821 172.5722 8 P 4.5510 0.0000 0.0000 61.7236 30.8337 174.3963 9 H 4.1912 7.9796 120.6411 56.7747 29.2974 175.0103 10 V 4.2485 7.9783 122.4304 61.1795 34.0416 174.2265 11 T 4.0531 8.3844 118.9213 62.0899 69.2860 172.9288 12 E 3.7022 8.0901 121.4557 59.4624 30.0278 179.8481 13 K 4.3712 8.8083 117.1548 57.5305 31.5386 180.9140 14 A 4.0070 7.4630 122.9674 56.4653 21.1764 180.5538 15 M 3.6674 8.8048 116.1316 58.1686 32.4946 179.0213 16 N 4.1262 9.8189 116.7554 55.1739 37.7761 176.6224 17 D 5.3344 9.3608 122.5074 57.6444 40.9052 178.2895 18 M 4.5238 7.6534 120.2233 56.1070 32.3859 178.3413 19 D 4.4677 7.5834 116.4362 53.8913 41.3592 180.3422 20 F 3.2764 12.0000 108.0839 58.4777 40.7347 176.7176 *22 N 4.6502 7.3293 117.0250 53.3184 40.4608 174.4026 23 K 4.4605 8.4869 117.0530 57.9780 31.2844 174.6371 24 L 4.6379 7.8363 121.6987 55.7642 44.7267 173.0780 25 Q 5.9294 7.2531 122.8391 53.9943 31.5841 174.7346 26 F 5.0872 8.7749 119.3542 56.6975 44.1184 172.6851 27 A 4.7888 8.2017 121.5301 51.4643 19.5586 177.2662 28 V 4.0432 9.6625 118.0319 61.8013 32.5839 178.3853 29 D 4.1391 7.9575 126.3804 56.7698 42.9236 176.0255 30 D 5.0839 9.0306 121.3277 54.0894 37.9001 176.2231 31 R 4.1055 8.1510 115.4895 56.4612 29.3784 177.1645 32 A 3.3792 7.9940 119.1608 54.1504 17.4617 175.8011 33 S 4.7567 7.3904 117.6596 57.1952 65.4276 174.9469 34 K 4.4527 7.5936 116.2819 58.6337 32.9019 178.3178 35 G 4.5704 8.2405 102.0362 46.5829 0.0000 177.0902 36 E 3.7696 8.1409 120.6665 58.3622 32.5663 178.4956 37 V 3.3519 10.4235 117.5492 63.5312 30.6926 179.2322 38 A 2.9484 6.5521 117.1037 51.3599 22.3499 181.5243 39 D 4.5900 7.0613 103.9300 53.9372 43.2648 183.4369 40 A 3.1260 8.2909 127.5490 52.9984 20.4908 179.4068 41 V 3.1454 7.0161 114.0412 65.3710 32.1157 178.0845 42 E 3.7020 9.7150 118.2349 59.9994 29.9001 179.2807 43 E 4.0472 8.0998 117.2254 60.0175 29.6208 178.8946 44 Q 4.2106 8.4893 118.3438 57.6473 28.9168 175.2209 45 Y 4.1846 9.4360 124.3104 57.6338 40.0238 177.2233 46 D 3.5416 8.1878 121.6003 53.7646 42.2116 177.5538 47 V 3.6171 8.0909 113.9429 60.4813 34.5723 176.9880 48 T 4.4516 7.9648 115.4959 61.7955 69.5628 176.6597 49 V 3.9159 7.4980 115.1187 61.6001 29.6056 176.3997 50 E 4.0384 7.7740 122.4556 57.6362 30.5792 180.3064 51 Q 4.3642 7.1378 122.9902 57.2126 34.9076 173.8248 52 V 5.1835 7.5518 126.2976 64.2382 34.1956 170.4992 53 N 5.3009 7.8396 120.6282 52.1754 43.5065 172.8385 54 T 5.0755 8.0448 108.2906 60.6046 72.1315 172.8147 55 Q 4.4650 8.5086 122.1381 57.5653 33.4436 174.2554 56 N 4.7929 9.2278 119.7012 52.6229 39.1001 176.0555 57 T 3.3561 9.1669 110.4784 61.0693 68.4709 171.7165 58 M 4.3487 8.3203 121.7839 55.2014 31.9676 175.7378 59 D 4.8883 8.7246 133.3666 55.6124 39.6145 176.2857 60 G 3.5955 8.1594 113.1756 44.7836 0.0000 173.6849 61 E 4.2748 7.2610 117.8145 55.0627 30.5320 175.5387 62 K 4.6090 8.3770 120.8061 54.6312 34.8382 174.8155 63 K 4.7685 10.7800 127.4383 55.8274 33.4823 176.0543 64 A 5.1907 8.7054 125.1698 50.5409 23.3943 174.9071 65 V 5.8428 8.4087 117.9548 60.6822 35.7120 174.4753 66 V 4.8570 8.8565 126.5747 59.5848 33.5045 174.5814 67 R 4.2427 8.6783 128.1156 56.5302 30.6076 176.1278 68 L 4.2692 8.4679 123.9245 54.4624 42.3714 176.5938 69 S 4.5079 8.6676 114.9150 58.3575 62.1451 175.0671 70 E 4.0783 8.3703 115.1931 56.7012 27.9283 173.8167 71 D 4.8888 7.2523 117.9967 54.4889 41.0568 178.0103 72 D 4.8729 8.5850 118.8246 52.3894 41.0624 173.8821 73 D 5.0128 8.2789 119.1142 56.0340 46.5921 175.6152 *75 Q 4.0882 7.8939 117.1447 57.6116 28.5704 178.5790 76 E 2.7931 7.3100 116.5270 56.9634 33.6932 177.2169 77 V 3.6785 7.8275 123.4547 64.5767 30.4147 176.0319 78 A 4.6106 7.5671 125.6804 51.7015 18.5675 176.8210 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 8.32 4.75 0.00 3.93 3.93 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 2 W 8.76 4.26 0.00 3.65 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 0.00 0.00 0.00 0.00 3 D 8.08 4.64 0.00 1.82 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.11 4.13 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 0.65 0.00 0.00 0.86 0.00 0.00 5 I 8.73 4.40 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.37 0.81 0.00 0.00 6 K 8.91 4.53 0.00 1.56 1.57 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 1.38 7.81 7 H 5.29 4.80 0.00 3.30 3.39 0.00 5.50 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.55 0.00 2.05 2.16 0.00 4.08 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 1.99 2.03 0.00 9 H 7.98 4.19 0.00 3.07 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.98 4.25 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 0.97 0.00 0.00 11 T 8.38 4.05 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 1.21 0.00 0.00 12 E 8.09 3.70 0.00 1.99 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 0.00 2.32 2.45 0.00 13 K 8.81 4.37 0.00 1.87 1.77 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.49 7.81 14 A 7.46 4.01 1.24 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 0.00 0.00 0.00 15 M 8.80 3.67 0.00 1.90 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.40 2.47 0.00 16 N 9.82 4.13 0.00 3.54 3.19 0.00 0.00 7.15 7.95 0.00 0.00 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 D 9.36 5.33 0.00 2.80 2.87 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 0.00 0.00 0.00 18 M 7.65 4.52 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 19 D 7.58 4.47 0.00 2.31 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 12.00 3.28 0.00 3.20 3.28 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 *22 N 7.33 4.65 0.00 3.03 2.97 0.00 0.00 7.10 7.22 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 23 K 8.49 4.46 0.00 1.93 1.78 0.00 1.96 0.00 0.00 2.41 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.49 7.81 24 L 7.84 4.64 0.00 2.47 1.74 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.25 5.93 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.16 0.00 26 F 8.77 5.09 0.00 2.82 3.19 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 27 A 8.20 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.66 4.04 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 0.64 0.00 0.00 0.97 0.00 0.00 29 D 7.96 4.14 0.00 2.58 2.59 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 30 D 9.03 5.08 0.00 2.81 3.14 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 0.00 0.00 0.00 0.00 31 R 8.15 4.11 0.00 1.91 1.89 0.00 3.29 0.00 0.00 3.23 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 32 A 7.99 3.38 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 33 S 7.39 4.76 0.00 3.80 3.69 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 34 K 7.59 4.45 0.00 1.83 1.68 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.43 7.81 35 G 8.24 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.77 0.00 2.09 2.10 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 2.24 2.33 0.00 37 V 10.42 3.35 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 0.67 0.00 0.00 0.88 0.00 0.00 38 A 6.55 2.95 1.31 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 39 D 7.06 4.59 0.00 3.04 1.91 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 40 A 8.29 3.13 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 41 V 7.02 3.15 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 0.86 0.00 0.00 0.71 0.00 0.00 42 E 9.71 3.70 0.00 2.04 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 2.32 2.37 0.00 43 E 8.10 4.05 0.00 2.09 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 2.40 2.44 0.00 44 Q 8.49 4.21 0.00 2.01 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 45 Y 9.44 4.18 0.00 3.00 2.87 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 0.00 0.00 0.00 46 D 8.19 3.54 0.00 2.65 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.62 2.38 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 0.77 0.00 0.00 1.13 0.00 0.00 48 T 7.96 4.45 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 49 V 7.50 3.92 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 0.77 0.00 0.00 0.91 0.00 0.00 50 E 7.77 4.04 0.00 2.05 1.92 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 2.27 2.37 0.00 51 Q 7.14 4.36 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 52 V 7.55 5.18 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 0.88 0.00 0.00 0.90 0.00 0.00 53 N 7.84 5.30 0.00 2.67 2.67 0.00 0.00 6.31 7.05 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 54 T 8.04 5.08 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 1.20 0.00 0.00 55 Q 8.51 4.46 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 56 N 9.23 4.79 0.00 2.70 2.34 0.00 0.00 7.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 9.17 3.36 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 58 M 8.32 4.35 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 59 D 8.72 4.89 0.00 2.79 2.77 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 60 G 8.16 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.26 4.27 0.00 2.29 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 0.00 2.45 2.25 0.00 62 K 8.38 4.61 0.00 1.73 2.18 0.00 1.63 0.00 0.00 2.02 0.00 0.00 3.35 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 K 10.78 4.77 0.00 1.78 1.71 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.32 7.81 64 A 8.71 5.19 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.41 5.84 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 0.94 0.00 0.00 1.07 0.00 0.00 66 V 8.86 4.86 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 1.01 0.00 0.00 0.75 0.00 0.00 67 R 8.68 4.24 0.00 1.89 1.85 0.00 3.31 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 68 L 8.47 4.27 0.00 1.62 1.64 1.12 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.67 4.51 0.00 4.31 3.87 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 0.00 0.00 0.00 70 E 8.37 4.08 0.00 2.19 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 0.00 2.22 2.30 0.00 71 D 7.25 4.89 0.00 2.81 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 0.00 0.00 0.00 72 D 8.58 4.87 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.28 5.01 0.00 2.69 2.65 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 *75 Q 7.89 4.09 0.00 2.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.34 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 76 E 7.31 2.79 0.00 1.97 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 0.00 2.18 2.21 0.00 77 V 7.83 3.68 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 0.91 0.00 0.00 78 A 7.57 4.61 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 * Residues marked with a * may have inaccurate shift predictions.