NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2309 8.2649 123.5794 52.6186 20.1184 176.1959 6 D 4.2246 8.1431 114.8780 56.2982 38.6638 172.9651 7 T 4.3546 8.4955 115.9595 61.7917 70.8120 173.2878 8 P 4.3695 0.0000 0.0000 63.3740 31.9710 175.7654 9 T 4.6519 8.1700 117.1602 61.6097 69.7147 173.7790 10 A 4.2753 8.4941 128.1244 51.8433 19.6312 176.7729 11 C 4.9733 8.6361 119.6706 55.2793 43.7063 174.3821 12 C 4.6118 8.3785 119.8540 55.7757 40.9861 173.6474 13 F 4.5616 8.5027 121.5502 57.2304 40.5870 175.3504 14 S 4.5022 7.5482 113.3416 56.8448 65.7039 172.7358 15 Y 5.0426 8.0179 118.8082 56.0497 40.5019 175.8060 16 T 4.0872 8.5074 117.9889 62.6833 67.8946 174.1659 17 S 4.8107 8.7470 121.1260 57.8929 63.5399 173.5761 18 R 4.3853 7.3757 119.9558 54.0984 32.0586 175.3134 19 Q 2.0000 8.0694 123.4445 55.9350 29.1596 175.8634 20 I 4.1425 6.5169 125.0624 58.6870 39.0124 173.8484 21 P 3.9164 0.0000 0.0000 62.8386 31.7846 176.9251 22 Q 3.0699 8.6890 124.1915 58.9042 28.9138 177.6212 23 N 4.5970 7.7459 112.1553 54.0586 37.9072 175.8016 24 F 4.5252 8.3637 118.7808 59.6171 39.3331 174.8748 25 I 4.6412 7.4767 121.3733 59.6675 38.3382 175.0867 26 A 4.7392 8.8481 126.0104 52.8003 21.2132 175.8042 27 A 4.6330 7.7090 115.1610 51.7743 22.6950 174.4610 28 Y 5.1930 7.9082 116.1531 55.9174 41.6259 174.4170 29 F 4.3658 8.5566 116.9828 56.0149 44.0113 173.3241 30 E 5.0866 8.5601 121.3494 55.0410 30.7782 176.3391 31 T 4.1690 8.5924 115.0092 61.1143 70.1523 174.3878 32 S 4.2297 8.0090 115.0723 58.1294 62.8888 175.5362 33 S 4.2790 8.5257 120.7763 60.8331 62.9380 175.4165 34 Q 4.1256 8.0897 119.7965 58.1449 28.1224 176.0690 35 C 4.5190 8.0185 116.2461 56.4587 40.7287 174.9740 36 S 4.1932 8.4990 116.5969 60.4726 63.0015 174.7329 37 K 4.6567 7.1592 119.8006 53.4338 35.4395 174.3611 38 P 4.5210 0.0000 0.0000 63.0807 32.2612 175.4847 39 G 4.2511 7.8691 102.9174 45.5613 0.0000 172.2736 40 V 4.7816 8.1477 121.5824 60.7358 34.9135 174.0841 41 I 4.8326 8.8341 128.7050 59.7661 39.2255 174.7023 42 F 5.2720 9.4589 126.9640 56.4662 41.1716 174.6884 43 L 5.3139 9.2254 125.6125 53.6111 43.9114 176.1563 44 T 4.7586 8.9925 117.4062 60.8740 70.0992 175.9580 45 K 3.8238 9.1622 122.2395 59.2031 32.1416 178.0792 46 R 4.3843 7.9505 116.7853 55.3739 29.9252 175.5988 47 S 3.7869 7.9834 110.4993 59.3194 61.0531 172.0473 48 R 4.5731 8.0933 119.6371 55.3313 31.8731 174.7846 49 Q 5.1637 8.6747 124.6803 54.6860 30.4950 175.1585 50 V 4.6108 8.9512 123.5246 61.3465 35.4643 174.6918 51 C 5.2107 8.7112 124.2791 55.6271 42.7592 172.0105 *53 D 3.3700 8.4571 117.8824 53.1255 40.3786 173.9380 54 P 4.1407 0.0000 0.0000 64.6668 31.5716 177.4277 55 S 4.2490 8.1513 112.9640 59.0897 63.6461 174.4951 56 E 4.2978 7.7173 122.5578 55.3073 31.3597 176.7125 57 E 3.8924 8.7129 123.5606 59.4545 29.7287 179.8055 58 W 4.1061 8.1515 116.0719 59.4057 27.9744 178.3705 59 V 2.8569 6.3536 118.4166 65.5092 30.9724 177.6281 60 Q 3.8291 7.5678 117.6988 58.8563 28.5299 179.0468 61 K 3.9351 7.9444 120.2302 59.8681 32.2429 178.2624 62 Y 4.2165 8.1893 116.9527 61.1784 37.7790 178.9800 63 V 3.1290 8.0690 119.1836 65.9415 31.4841 178.0663 64 S 4.0257 8.0615 112.7566 61.5632 62.0414 175.8756 65 D 4.3380 8.3421 120.8641 57.0705 40.5369 178.4735 66 L 4.1570 7.9564 119.3112 57.9265 41.7423 179.1008 67 E 4.1708 7.9575 117.2097 58.8494 29.5186 177.6102 68 L 4.3974 8.0214 122.6120 54.8251 42.0573 176.3384 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 5 A 8.26 4.23 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 6 D 8.14 4.22 0.00 2.89 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 7 T 8.50 4.35 4.21 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 1.18 0.00 0.00 8 P 0.00 4.37 0.00 2.02 1.99 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 9 T 8.17 4.65 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 1.18 0.00 0.00 10 A 8.49 4.28 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 C 8.64 4.97 0.00 2.40 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 12 C 8.38 4.61 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 4.56 0.00 2.97 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 14 S 7.55 4.50 0.00 3.92 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 15 Y 8.02 5.04 0.00 3.02 2.89 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 16 T 8.51 4.09 4.43 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 0.00 0.00 0.00 1.56 0.00 0.00 17 S 8.75 4.81 0.00 4.07 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 18 R 7.38 4.39 0.00 1.82 1.73 0.00 3.19 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 19 Q 8.07 2.00 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.74 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 20 I 6.52 4.14 2.00 0.00 0.00 1.11 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 0.86 1.03 0.00 0.00 21 P 0.00 3.92 0.00 0.49 1.36 0.00 3.15 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.69 0.00 22 Q 8.69 3.07 0.00 1.40 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.04 1.42 0.00 23 N 7.75 4.60 0.00 2.92 2.89 0.00 0.00 6.05 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 24 F 8.36 4.53 0.00 3.17 3.09 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 0.00 0.00 0.00 25 I 7.48 4.64 1.69 0.00 0.00 0.55 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 0.59 0.91 0.00 0.00 26 A 8.85 4.74 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 27 A 7.71 4.63 1.10 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 0.00 0.00 28 Y 7.91 5.19 0.00 2.69 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.37 0.00 2.89 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 30 E 8.56 5.09 0.00 1.86 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 2.37 2.49 0.00 31 T 8.59 4.17 4.34 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 1.18 0.00 0.00 32 S 8.01 4.23 0.00 3.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.28 0.00 4.01 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 34 Q 8.09 4.13 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 35 C 8.02 4.52 0.00 2.99 2.82 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 36 S 8.50 4.19 0.00 4.04 4.10 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 37 K 7.16 4.66 0.00 1.92 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.36 7.81 38 P 0.00 4.52 0.00 2.15 2.05 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 39 G 7.87 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 0.00 0.00 0.00 0.00 40 V 8.15 4.78 1.65 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 0.23 0.00 0.00 0.73 0.00 0.00 41 I 8.83 4.83 2.02 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 1.26 0.86 1.04 0.00 0.00 42 F 9.46 5.27 0.00 3.12 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 43 L 9.23 5.31 0.00 1.97 1.67 1.02 0.78 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 44 T 8.99 4.76 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 1.40 0.00 0.00 45 K 9.16 3.82 0.00 1.67 1.92 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.64 1.56 7.81 46 R 7.95 4.38 0.00 1.70 1.89 0.00 3.36 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 47 S 7.98 3.79 0.00 4.05 3.96 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 48 R 8.09 4.57 0.00 1.94 1.86 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 49 Q 8.67 5.16 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 50 V 8.95 4.61 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 1.01 0.00 0.00 1.11 0.00 0.00 51 C 8.71 5.21 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 3.37 0.00 1.58 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 0.00 0.00 0.00 0.00 54 P 0.00 4.14 0.00 2.08 2.01 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 55 S 8.15 4.25 0.00 3.91 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 56 E 7.72 4.30 0.00 1.85 1.64 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 2.32 2.24 0.00 57 E 8.71 3.89 0.00 2.04 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 2.38 2.37 0.00 58 W 8.15 4.11 0.00 3.19 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 59 V 6.35 2.86 1.66 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 0.79 0.00 0.00 -0.63 0.00 0.00 60 Q 7.57 3.83 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 61 K 7.94 3.94 0.00 1.89 2.09 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.56 7.81 62 Y 8.19 4.22 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.07 3.13 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 0.41 0.00 0.00 0.37 0.00 0.00 64 S 8.06 4.03 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.34 0.00 2.63 2.69 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 66 L 7.96 4.16 0.00 1.91 1.83 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.96 4.17 0.00 2.11 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 0.00 2.57 2.54 0.00 68 L 8.02 4.40 0.00 1.60 1.57 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.