NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.4386 8.2549 117.2834 55.3758 31.9839 174.5600 9 P 4.1887 0.0000 0.0000 64.7324 30.3350 178.8355 10 F 3.9117 8.4166 120.6193 58.7136 36.2406 175.5216 11 S 4.5062 8.2650 112.3308 58.3770 67.3421 177.7210 12 D 4.4788 7.7086 124.5012 57.8725 39.7724 183.2627 13 I 3.7636 7.4504 119.9126 64.6542 37.0643 178.5888 14 I 2.5464 7.2946 117.9763 63.1904 36.9389 177.3375 15 T 4.4771 7.6752 114.3380 62.9410 68.9252 175.6829 16 S 4.1424 7.6173 116.8966 61.6871 62.7620 174.0290 17 V 4.4039 8.1500 123.8290 63.5371 30.2258 172.7148 18 R 4.0010 8.0365 118.3334 59.3193 29.8397 177.2295 19 Y 4.0834 8.2082 119.0667 60.8152 38.6254 177.9635 20 W 4.6036 8.6153 119.0388 60.5855 29.0581 177.8850 21 V 3.6464 7.9491 117.2282 66.1238 30.8975 177.6645 22 I 3.6587 8.1089 118.8265 65.1001 37.1719 178.2984 23 H 4.0719 8.1612 116.6153 58.7745 28.3629 177.6598 24 S 4.2933 8.5295 114.2132 61.3599 60.8280 175.7319 25 I 4.1203 7.5679 122.0171 63.5178 37.3232 178.2388 26 T 4.0273 7.6601 116.4941 66.8902 68.4652 176.5496 27 I 3.7154 8.3105 121.8972 64.2332 37.0847 176.3688 28 P 4.3106 0.0000 0.0000 65.7624 31.0677 178.2362 29 A 4.0180 7.2869 118.2578 55.4487 18.4692 179.5747 30 L 4.0927 8.0224 116.9634 58.0514 41.7650 179.1179 31 F 3.9567 8.8399 120.8501 61.9054 38.9819 177.3921 32 I 4.0159 8.8827 119.0562 63.7425 36.9002 178.1885 33 A 4.2072 8.2588 122.1318 55.1386 18.1839 179.9205 34 G 3.5885 8.0731 103.7411 47.7766 0.0000 175.4536 35 W 4.0767 8.0343 130.8466 59.4593 30.5543 177.4962 36 L 4.3881 7.7241 118.4109 57.0514 41.7776 178.5143 37 F 4.5083 8.5954 120.7282 60.6417 38.9721 177.3665 38 V 3.3264 7.8421 117.7190 65.6378 31.6102 177.7672 39 S 4.1889 7.2861 113.2418 62.5652 62.8212 176.0227 40 T 3.7818 8.5284 115.9627 64.4649 68.2362 175.4691 41 G 5.2395 8.1094 125.0327 46.6831 0.0000 174.1724 42 L 3.8186 7.5798 120.4800 58.3093 41.5698 179.1791 43 A 3.7041 6.1030 119.9998 55.8697 18.2638 178.7427 44 Y 4.1475 7.6625 114.7110 61.1271 37.7497 178.2817 45 D 4.4553 8.9738 122.5833 57.0058 41.1607 178.8687 46 V 3.8129 8.3380 119.0786 65.0788 32.1643 177.0872 47 F 4.5529 8.0192 114.8769 56.4330 38.7155 176.2140 48 G 3.9974 7.9626 105.5796 46.1560 0.0000 174.1363 49 T 4.0370 7.6839 108.7514 60.8028 69.2974 172.2819 50 P 4.3425 0.0000 0.0000 61.4003 32.1388 176.6244 51 R 4.0485 8.1933 122.0133 55.2431 31.2342 176.3280 52 P 4.3412 0.0000 0.0000 65.9319 31.9008 177.9193 53 D 4.3792 8.1043 117.0783 57.2425 41.2296 176.8804 54 S 4.3861 8.5895 112.1099 58.6244 63.3815 173.1375 55 Y 4.0481 7.3006 119.3070 59.1627 39.4251 174.2106 56 Y 3.9180 8.0811 123.1762 58.5743 35.8208 170.5163 57 A 5.5895 10.1360 135.0000 53.2715 20.3308 177.1929 58 Q 3.4527 7.8700 115.0319 57.5647 26.2137 173.3215 59 E 5.2266 7.5520 110.4219 54.0285 32.6568 175.3735 60 Q 4.7188 7.7554 117.7924 55.0515 29.0560 172.6344 61 R 4.3715 7.5086 122.0002 54.6461 32.6997 175.0226 62 S 4.9300 8.9812 114.7276 61.3804 64.8224 179.0652 63 I 3.6622 8.0007 117.3383 62.0381 32.7940 172.3954 64 P 4.1377 0.0000 0.0000 62.8125 32.6499 177.3499 65 L 4.2970 8.2010 120.7725 55.0141 43.0729 176.0768 *66 V 3.9936 8.1184 118.9539 61.5159 33.5446 176.0964 *67 T 4.2236 8.1692 114.8611 61.3181 70.2871 174.0930 *68 D 4.5136 8.3592 123.0880 53.6907 41.8155 176.1765 *69 R 4.2136 8.2492 120.3400 56.6587 31.3846 175.9724 *70 F 4.4840 8.2176 116.3724 56.6041 39.9565 174.3617 *72 A 4.2931 8.1878 126.3189 51.9552 20.3440 179.0986 73 K 3.8784 8.1386 123.0919 61.4069 31.4613 184.2167 74 Q 4.2403 8.4593 122.4277 61.0205 27.9081 181.7895 75 Q 4.1993 8.1409 122.9848 61.0462 28.2656 182.9643 76 V 3.9172 8.3810 124.2189 66.3960 31.7031 180.6357 77 E 4.2248 8.7907 122.3172 62.0918 29.5675 181.2518 78 T 4.1000 8.6137 118.4207 66.7846 68.3459 178.1895 *79 F 4.2378 8.3199 125.1887 62.6096 37.8033 180.0134 80 L 4.2378 7.8747 124.0583 60.2333 41.0021 181.2563 81 E 4.3872 8.8687 121.5291 62.5746 29.4661 181.2141 82 Q 4.1935 8.8239 122.3183 60.3604 27.9540 180.9962 83 L 4.2674 8.4229 129.0253 60.1032 41.4522 180.9098 84 K 4.5394 7.7075 126.6983 57.1556 31.8536 179.8548 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 8 R 8.25 4.44 0.00 1.95 2.05 0.00 2.99 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 9 P 0.00 4.19 0.00 2.45 1.78 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 10 F 8.42 3.91 0.00 2.91 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 11 S 8.27 4.51 0.00 3.95 3.91 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 12 D 7.71 4.48 0.00 2.71 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 13 I 7.45 3.76 1.58 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 1.52 0.19 1.03 0.00 0.00 14 I 7.29 2.55 1.64 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 1.00 0.17 0.68 0.00 0.00 15 T 7.68 4.48 4.48 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 1.24 0.00 0.00 16 S 7.62 4.14 0.00 3.77 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 17 V 8.15 4.40 2.17 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 0.94 0.00 0.00 1.03 0.00 0.00 18 R 8.04 4.00 0.00 1.97 1.97 0.00 3.27 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 19 Y 8.21 4.08 0.00 2.94 2.83 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 W 8.62 4.60 0.00 3.76 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 21 V 7.95 3.65 2.35 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 1.07 0.00 0.00 1.07 0.00 0.00 22 I 8.11 3.66 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.70 0.00 0.00 23 H 8.16 4.07 0.00 2.86 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.53 4.29 0.00 4.19 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 25 I 7.57 4.12 2.03 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 1.53 0.96 0.91 0.00 0.00 26 T 7.66 4.03 4.17 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 1.19 0.00 0.00 27 I 8.31 3.72 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 1.00 0.00 0.00 28 P 0.00 4.31 0.00 2.16 2.07 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 29 A 7.29 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.09 0.00 1.95 1.77 0.94 0.84 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 31 F 8.84 3.96 0.00 3.17 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 32 I 8.88 4.02 1.95 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 0.88 0.96 0.00 0.00 33 A 8.26 4.21 1.41 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 0.00 0.00 34 G 8.07 3.59 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 0.00 0.00 0.00 35 W 8.03 4.08 0.00 3.37 3.24 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 36 L 7.72 4.39 0.00 2.10 1.81 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.60 4.51 0.00 3.09 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.33 1.83 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 0.58 0.00 0.00 0.89 0.00 0.00 39 S 7.29 4.19 0.00 3.87 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 40 T 8.53 3.78 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 1.22 0.00 0.00 41 G 8.11 5.24 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 0.00 42 L 7.58 3.82 0.00 1.19 2.01 1.20 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 A 6.10 3.70 0.82 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 0.00 0.00 0.00 0.00 0.00 44 Y 7.66 4.15 0.00 3.08 2.76 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 45 D 8.97 4.46 0.00 2.59 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 3.81 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 0.29 0.00 0.00 0.99 0.00 0.00 47 F 8.02 4.55 0.00 3.40 3.07 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 0.00 0.00 0.00 0.00 48 G 7.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 4.04 4.30 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 1.30 0.00 0.00 50 P 0.00 4.34 0.00 0.70 1.40 0.00 3.60 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 51 R 8.19 4.05 0.00 1.54 1.42 0.00 2.81 0.00 0.00 2.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 52 P 0.00 4.34 0.00 2.22 2.17 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 53 D 8.10 4.38 0.00 2.56 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 54 S 8.59 4.39 0.00 3.84 3.91 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 55 Y 7.30 4.05 0.00 2.93 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 56 Y 8.08 3.92 0.00 3.23 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 0.00 0.00 0.00 57 A 10.14 5.59 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 58 Q 7.87 3.45 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 7.64 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 59 E 7.55 5.23 0.00 2.08 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 2.05 2.11 0.00 60 Q 7.76 4.72 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 61 R 7.51 4.37 0.00 1.60 1.51 0.00 2.86 0.00 0.00 2.76 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.25 0.00 62 S 8.98 4.93 0.00 3.84 3.80 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 0.00 0.00 0.00 63 I 8.00 3.66 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.89 0.97 0.00 0.00 64 P 0.00 4.14 0.00 2.07 2.02 0.00 3.79 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 65 L 8.20 4.30 0.00 1.60 1.34 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 *66 V 8.12 3.99 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 *67 T 8.17 4.22 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 *68 D 8.36 4.51 0.00 2.44 2.51 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 0.00 0.00 0.00 0.00 *69 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *70 F 8.22 4.48 0.00 2.04 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 0.00 0.00 0.00 0.00 *72 A 8.19 4.29 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 73 K 8.14 3.88 0.00 1.77 1.84 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 74 Q 8.46 4.24 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 75 Q 8.14 4.20 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.04 0.00 76 V 8.38 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 0.71 0.00 0.00 0.93 0.00 0.00 77 E 8.79 4.22 0.00 1.93 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 2.25 2.21 0.00 78 T 8.61 4.10 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 *79 F 8.32 4.24 0.00 2.29 2.35 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 80 L 7.87 4.24 0.00 1.73 1.64 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.87 4.39 0.00 1.91 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 2.25 2.21 0.00 82 Q 8.82 4.19 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 83 L 8.42 4.27 0.00 1.73 1.64 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.71 4.54 0.00 1.89 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.