NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 3.9671 8.0393 120.3911 62.8632 32.6064 174.2899 13 T 4.5403 8.2777 117.1805 58.7506 70.3709 172.4541 14 L 4.4752 8.5403 126.7906 54.0399 44.4523 176.7535 15 T 5.0492 8.2237 114.4241 60.4568 70.1525 172.8021 16 I 4.5153 8.8693 129.5233 59.5093 40.2244 174.5438 17 R 5.0290 8.5864 125.3564 54.5041 32.1524 175.2406 18 L 4.6878 9.2304 124.7374 53.1672 43.7602 175.7722 19 L 5.0841 8.2771 124.7668 53.1425 44.4074 175.2397 *21 H 4.7653 8.5144 119.0760 55.3344 29.8060 174.9900 22 G 3.9154 9.0147 111.6434 47.1770 0.0000 176.1770 23 K 4.0797 8.0457 119.2949 59.3273 32.3254 178.2784 24 E 4.2291 8.2978 119.9124 58.5869 29.5609 178.7323 25 V 3.7892 7.6659 118.3453 65.4474 31.4528 178.3917 26 G 3.5488 7.9943 105.4117 47.7129 0.0000 175.1814 27 S 4.0989 8.0758 114.2195 61.2826 62.3595 176.0317 28 I 3.8576 7.0887 119.9247 64.3824 37.2568 178.2476 29 I 3.8486 7.9525 120.9891 63.2358 37.1608 177.8392 30 G 4.2808 7.9734 104.2935 44.5329 0.0000 172.7126 31 K 4.0887 8.3034 117.9467 57.6805 32.1831 177.9390 32 K 3.6285 9.6010 121.3932 57.0360 29.7993 176.0881 33 G 3.9297 8.3735 106.6056 46.5803 0.0000 176.1352 34 E 3.9849 8.2325 121.3097 59.1424 29.3056 179.1653 35 S 4.1239 7.9126 114.9442 61.3884 63.1798 176.5880 36 V 3.7536 7.4639 120.1553 64.5579 31.3106 177.9854 37 K 4.1239 7.9140 119.9306 58.9966 32.0612 179.7451 38 K 4.0713 7.6047 118.2149 56.8678 32.1643 178.6316 *40 R 4.2112 7.9465 116.5544 55.9423 31.9852 177.4936 41 E 3.9551 8.6406 116.0009 59.7798 29.6857 178.8352 42 E 4.1485 8.6179 117.4395 59.3485 29.4397 178.9059 43 S 4.1731 8.1792 113.3145 59.4894 63.5322 175.9167 44 G 3.9094 8.2299 106.6823 45.2664 0.0000 172.9459 45 A 4.4332 7.6738 120.9668 50.8979 20.2252 177.6972 46 R 4.1894 8.9367 121.9096 55.9156 31.3313 175.2989 47 I 5.0317 8.4055 127.0940 59.5478 39.9758 174.2575 48 N 4.9489 8.9726 126.2571 51.7979 41.2903 173.0528 49 I 4.8741 8.2694 127.1724 59.3718 38.6244 175.8008 50 S 4.2822 8.7376 122.6871 58.3857 63.4745 174.4905 51 E 3.9177 8.6484 121.6952 57.8105 29.8382 177.8458 52 G 4.0644 8.7488 108.3500 46.1045 0.0000 173.4974 53 N 4.6351 8.2068 120.0380 52.3472 37.5431 174.2601 54 C 4.5919 7.5081 119.0108 57.7058 30.3712 173.4781 55 P 4.2596 0.0000 0.0000 65.0329 31.1780 175.9964 56 E 4.9316 8.0651 116.5072 54.4781 32.1739 175.8924 57 R 4.7963 8.6397 122.3452 54.3347 34.6127 174.3886 58 I 4.6393 8.5531 121.6871 59.7177 40.1814 174.6267 59 I 4.7951 9.0200 128.2572 59.9931 39.4936 174.6085 60 T 4.9515 9.1964 124.5962 61.9153 70.7151 173.5635 61 L 5.3334 9.0894 126.4836 52.9752 44.4283 175.5486 62 A 5.5114 8.7589 124.0779 50.5196 23.1823 174.7895 63 G 3.4389 8.6568 103.6290 43.7719 0.0000 171.9888 64 P 4.3353 0.0000 0.0000 62.5157 33.2683 177.3059 65 T 3.6664 8.4491 117.0284 66.8290 68.3734 176.3380 66 N 4.4471 8.3477 117.6354 56.6425 38.6438 177.0588 67 A 4.2668 7.8652 122.5738 54.6874 18.4886 179.5264 68 I 3.6342 7.7621 118.3380 64.5324 37.1491 178.6820 69 F 4.4683 8.3970 118.9835 60.4712 38.5045 177.6933 70 K 3.9828 7.9833 116.6930 59.5495 32.0166 178.6695 71 A 4.1869 7.8121 119.3125 55.2829 18.6067 179.1169 72 F 4.3595 8.5624 118.8262 61.3592 39.4586 177.7355 73 A 4.0109 8.0977 116.9922 53.1236 18.1080 179.0290 *75 I 3.9527 7.6585 122.1845 62.8952 39.3970 178.1583 76 I 3.4769 7.4019 120.7886 64.6135 36.6961 178.2693 77 D 4.3206 7.9520 119.5299 57.1511 40.3468 178.8507 78 K 3.9508 7.8111 119.0105 59.4404 32.4006 178.5379 79 L 4.1241 7.9493 118.5871 57.5336 41.5262 179.0068 80 E 4.0776 8.0819 118.1632 59.2424 29.5098 177.3699 81 E 4.2358 7.6651 121.9149 56.9751 29.8555 176.9567 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 12 V 8.04 3.97 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 0.99 0.00 0.00 0.92 0.00 0.00 13 T 8.28 4.54 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 1.19 0.00 0.00 14 L 8.54 4.48 0.00 1.53 1.54 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.22 5.05 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 1.19 0.00 0.00 16 I 8.87 4.52 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.82 0.00 0.00 17 R 8.59 5.03 0.00 1.65 1.83 0.00 3.18 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 18 L 9.23 4.69 0.00 1.59 1.63 1.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.28 5.08 0.00 1.64 1.53 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.51 4.77 0.00 3.35 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.01 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 0.00 0.00 0.00 23 K 8.05 4.08 0.00 1.92 1.97 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.53 7.81 24 E 8.30 4.23 0.00 2.16 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 2.32 2.34 0.00 25 V 7.67 3.79 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 1.10 0.00 0.00 0.98 0.00 0.00 26 G 7.99 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.08 4.10 0.00 3.87 4.07 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 28 I 7.09 3.86 2.00 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 1.51 0.75 0.91 0.00 0.00 29 I 7.95 3.85 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 1.46 1.08 0.91 0.00 0.00 30 G 7.97 4.28 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 0.00 31 K 8.30 4.09 0.00 1.98 1.77 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.47 7.81 32 K 9.60 3.63 0.00 1.91 1.91 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.42 7.81 33 G 8.37 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 0.00 0.00 0.00 34 E 8.23 3.98 0.00 2.23 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 2.29 2.34 0.00 35 S 7.91 4.12 0.00 4.17 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 36 V 7.46 3.75 2.20 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 0.75 0.00 0.00 0.94 0.00 0.00 37 K 7.91 4.12 0.00 1.88 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.45 7.81 38 K 7.60 4.07 0.00 1.86 1.91 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.25 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.62 7.81 *40 R 7.95 4.21 0.00 2.10 2.00 0.00 3.20 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 41 E 8.64 3.96 0.00 2.00 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 2.36 2.31 0.00 42 E 8.62 4.15 0.00 2.00 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 2.35 2.40 0.00 43 S 8.18 4.17 0.00 4.25 4.14 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 44 G 8.23 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 0.00 0.00 0.00 45 A 7.67 4.43 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 46 R 8.94 4.19 0.00 1.88 1.81 0.00 3.03 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 47 I 8.41 5.03 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.99 0.92 0.00 0.00 48 N 8.97 4.95 0.00 2.83 2.64 0.00 0.00 6.67 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.27 4.87 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 1.41 0.73 0.91 0.00 0.00 50 S 8.74 4.28 0.00 3.86 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 51 E 8.65 3.92 0.00 1.98 1.94 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 2.32 2.26 0.00 52 G 8.75 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.21 4.64 0.00 2.70 2.77 0.00 0.00 7.02 7.65 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 54 C 7.51 4.59 0.00 3.14 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 55 P 0.00 4.26 0.00 2.19 2.13 0.00 3.54 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 2.12 2.13 0.00 56 E 8.07 4.93 0.00 1.80 1.82 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 2.21 2.24 0.00 57 R 8.64 4.80 0.00 1.69 1.78 0.00 3.21 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 58 I 8.55 4.64 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 1.22 0.75 0.96 0.00 0.00 59 I 9.02 4.80 1.90 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 1.24 0.86 0.93 0.00 0.00 60 T 9.20 4.95 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 1.25 0.00 0.00 61 L 9.09 5.33 0.00 1.49 1.54 1.04 0.80 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 62 A 8.76 5.51 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 63 G 8.66 3.44 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 0.00 0.00 0.00 64 P 0.00 4.34 0.00 2.17 1.98 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 65 T 8.45 3.67 4.26 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 0.91 0.00 0.00 66 N 8.35 4.45 0.00 2.85 2.94 0.00 0.00 7.03 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.87 4.27 1.42 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 0.00 0.00 68 I 7.76 3.63 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 0.67 0.00 0.00 69 F 8.40 4.47 0.00 3.24 3.02 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 70 K 7.98 3.98 0.00 1.98 1.93 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.66 7.81 71 A 7.81 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.56 4.36 0.00 3.21 3.33 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 A 8.10 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 3.95 1.87 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 1.40 0.74 0.84 0.00 0.00 76 I 7.40 3.48 1.73 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 -0.33 0.80 0.00 0.00 77 D 7.95 4.32 0.00 2.77 2.68 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 0.00 0.00 0.00 0.00 78 K 7.81 3.95 0.00 1.70 1.95 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.57 7.81 79 L 7.95 4.12 0.00 1.75 1.68 0.89 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 80 E 8.08 4.08 0.00 2.12 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 2.46 0.00 81 E 7.67 4.24 0.00 2.07 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 2.34 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.