NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3712 8.4345 117.0992 57.9677 62.9360 174.3895 3 T 4.2369 8.0060 123.4535 61.1140 70.5981 171.7190 4 I 3.9716 8.5156 120.2042 67.5956 35.7814 174.7943 5 E 4.5163 8.1613 120.5998 60.9023 29.9280 180.8514 6 E 4.4486 8.0977 119.1113 61.6790 30.0070 183.3461 7 R 4.4758 8.1169 122.8936 61.3739 31.1146 182.2286 8 V 4.0181 7.4440 121.8247 60.5985 28.9808 178.7990 *11 I 4.2504 7.1487 123.5679 60.0336 38.3006 177.0971 12 I 3.7506 7.2382 120.0583 60.5545 36.4906 178.2027 *17 G 3.7814 8.7646 116.6395 46.0587 0.0000 172.9185 18 V 4.7587 8.2042 126.1761 60.0615 36.0243 171.8321 19 K 4.1515 8.8618 126.9614 54.7680 32.5325 178.7271 20 Q 4.1268 9.1255 128.8982 60.6479 27.9983 178.3757 21 E 4.4092 8.1735 120.8129 61.5671 30.0005 181.0908 22 E 4.4509 8.2420 120.4534 60.8613 31.1900 180.9938 23 V 4.2018 7.7188 119.3105 61.3877 29.3519 178.8846 24 T 4.1296 7.6723 118.1747 60.8901 69.9776 177.9202 25 N 4.8287 8.6813 128.1082 51.9683 35.6642 173.0533 26 N 4.9332 7.6239 114.4662 53.4169 41.8645 177.6826 *29 F 4.7404 8.1734 118.8588 58.3241 40.4303 183.4464 30 V 3.8810 7.3706 116.7754 63.8780 33.1344 180.0929 31 E 3.9499 8.6627 117.8003 58.3787 27.1212 180.5127 32 D 4.5445 9.5414 119.9292 57.5446 41.0302 181.8734 33 L 4.1402 8.0722 118.8777 55.0986 41.4843 178.9693 34 G 4.0093 7.1912 102.4370 46.7576 0.0000 172.7905 35 A 4.0747 8.8598 124.3405 55.1278 19.9475 180.1233 *37 S 4.4989 8.1932 114.0675 58.9529 64.3272 180.3886 38 L 4.5447 7.8231 121.0228 55.1015 40.8972 180.6303 39 D 4.4344 7.8027 120.0798 58.2027 39.5379 183.5696 40 T 4.1643 7.9681 113.5702 63.5902 69.2834 179.9895 41 V 3.6691 7.8553 123.1819 67.3168 31.6525 184.0301 42 E 4.5129 8.2569 120.5202 60.2153 29.5367 181.3769 43 L 4.2362 7.5750 123.7144 60.9870 41.0732 185.0000 44 V 3.9048 7.9110 122.7379 66.9065 31.3637 180.5251 45 M 4.2732 7.4397 118.2253 59.5416 31.4749 179.9955 46 A 4.4586 7.8796 123.0100 55.6739 18.7669 180.4171 47 L 4.1766 8.1707 123.3282 60.0796 40.8944 181.7383 48 E 4.3022 9.0330 121.2684 61.7433 29.0159 182.7873 49 E 4.3527 7.9767 119.8444 61.7972 29.7064 182.2908 50 E 4.3773 8.2368 116.2986 57.8796 30.2696 179.5581 *51 F 4.3396 7.9464 115.8089 57.6061 39.1538 181.1658 52 D 4.5934 7.4210 119.1501 55.9664 38.6525 179.1007 53 T 4.4614 8.1790 111.6819 62.7117 69.2358 177.9164 *64 T 4.4148 8.8905 115.8244 62.4176 72.0188 179.5586 65 T 4.4640 7.5881 118.2509 61.3102 69.9060 178.1140 66 V 4.4161 8.3085 120.1168 63.3249 32.4177 174.9860 67 Q 4.0582 8.1040 122.4794 58.7943 28.3387 180.9350 68 A 4.2011 7.9873 118.9531 53.8796 18.5447 178.3939 69 A 4.3425 7.7484 119.6670 53.8292 18.3405 177.9910 70 I 4.6306 7.6895 114.7280 62.2788 41.4660 181.2722 71 D 4.5655 7.9309 123.7702 56.2833 40.7334 180.5063 *72 Y 4.2803 7.9802 119.1728 60.0401 37.3499 180.4251 73 I 4.5031 7.7090 118.6879 60.5231 36.2399 178.2901 74 N 4.9265 8.2358 117.1839 54.8174 40.2181 178.9307 75 G 3.6376 7.7411 109.5755 49.1301 0.0000 174.3934 *76 H 4.1897 7.7524 120.8505 54.8174 27.5937 177.7635 77 Q 3.9664 8.6636 123.0093 54.6192 27.9015 170.3033 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 S 8.43 4.37 0.00 3.65 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 4.24 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 1.21 0.00 0.00 4 I 8.52 3.97 1.87 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 1.50 1.10 0.91 0.00 0.00 5 E 8.16 4.52 0.00 2.06 1.89 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 2.21 1.93 0.00 6 E 8.10 4.45 0.00 2.06 1.89 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 2.23 1.94 0.00 7 R 8.12 4.48 0.00 1.91 1.86 0.00 3.24 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 8 V 7.44 4.02 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 0.67 0.00 0.00 0.93 0.00 0.00 *11 I 7.15 4.25 1.87 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 1.11 0.91 0.00 0.00 12 I 7.24 3.75 1.87 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 1.16 1.10 0.91 0.00 0.00 *17 G 8.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 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 0.68 0.00 0.00 0.93 0.00 0.00 19 K 8.86 4.15 0.00 1.68 1.72 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.00 7.81 20 Q 9.13 4.13 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 21 E 8.17 4.41 0.00 2.06 1.89 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 2.23 1.94 0.00 22 E 8.24 4.45 0.00 2.06 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 2.23 1.94 0.00 23 V 7.72 4.20 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 24 T 7.67 4.13 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 1.21 0.00 0.00 25 N 8.68 4.83 0.00 2.73 2.69 0.00 0.00 6.46 7.99 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 26 N 7.62 4.93 0.00 2.67 2.65 0.00 0.00 6.83 7.43 0.00 0.00 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 F 8.17 4.74 0.00 2.22 2.36 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 30 V 7.37 3.88 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 31 E 8.66 3.95 0.00 1.98 1.60 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 2.23 1.87 0.00 32 D 9.54 4.54 0.00 2.60 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 33 L 8.07 4.14 0.00 1.66 1.62 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.19 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.86 4.07 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 *37 S 8.19 4.50 0.00 3.69 3.92 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 38 L 7.82 4.54 0.00 1.57 1.67 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.80 4.43 0.00 2.74 2.62 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 40 T 7.97 4.16 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 1.21 0.00 0.00 41 V 7.86 3.67 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 0.71 0.00 0.00 0.93 0.00 0.00 42 E 8.26 4.51 0.00 1.97 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 2.31 1.94 0.00 43 L 7.57 4.24 0.00 1.55 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.91 3.90 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 0.75 0.00 0.00 0.93 0.00 0.00 45 M 7.44 4.27 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 46 A 7.88 4.46 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 47 L 8.17 4.18 0.00 1.68 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.03 4.30 0.00 1.92 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 2.24 2.20 0.00 49 E 7.98 4.35 0.00 2.06 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 2.24 2.19 0.00 50 E 8.24 4.38 0.00 1.98 1.89 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 2.21 1.87 0.00 *51 F 7.95 4.34 0.00 2.25 2.21 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 52 D 7.42 4.59 0.00 2.79 2.54 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 53 T 8.18 4.46 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 1.21 0.00 0.00 *64 T 8.89 4.41 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 1.21 0.00 0.00 65 T 7.59 4.46 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 1.21 0.00 0.00 66 V 8.31 4.42 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 0.70 0.00 0.00 0.93 0.00 0.00 67 Q 8.10 4.06 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 68 A 7.99 4.20 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 69 A 7.75 4.34 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 70 I 7.69 4.63 1.87 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 1.16 0.61 0.91 0.00 0.00 71 D 7.93 4.57 0.00 2.62 2.60 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 *72 Y 7.98 4.28 0.00 2.23 2.33 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 73 I 7.71 4.50 1.87 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 1.16 0.91 0.00 0.00 74 N 8.24 4.93 0.00 2.68 2.68 0.00 0.00 6.85 7.51 0.00 0.00 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 G 7.74 3.64 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 0.00 0.00 0.00 *76 H 7.75 4.19 0.00 3.03 2.91 0.00 7.36 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.66 3.97 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.