NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.4699 0.0000 0.0000 61.6288 32.8197 176.1786 13 P 4.2106 0.0000 0.0000 61.9172 32.1398 176.3419 14 I 2.0000 7.7256 122.0618 63.7504 37.9570 178.3339 15 S 4.2008 7.8145 113.8640 60.3937 62.6795 174.8803 16 S 4.6231 7.8159 114.1829 57.9180 63.8054 174.6085 17 W 4.5480 8.4275 123.8499 57.0129 29.4434 176.3580 18 S 4.7991 9.2761 118.8427 57.3030 65.4824 175.5034 19 V 4.0395 8.1289 121.1359 65.7847 31.1280 177.4894 20 D 4.3615 8.0673 118.3303 57.3438 40.7497 178.2058 21 D 4.1238 8.1293 119.4805 57.2409 40.6707 179.0499 22 V 3.9211 7.9429 118.7308 66.1977 31.5180 178.1411 23 S 4.1421 8.4483 115.2276 61.7991 62.6776 176.5716 24 N 4.2572 8.2825 119.0552 56.0942 38.0445 177.1143 25 F 4.1639 7.9381 120.9006 61.4269 39.7823 177.0394 26 I 3.2528 7.8331 119.3986 64.3070 36.6894 178.4375 27 R 3.8133 7.7916 118.1040 59.0508 29.9278 177.4074 28 E 4.4035 7.6724 115.5703 55.1276 29.8867 176.0284 29 L 3.8124 7.0428 122.5841 53.9195 42.1861 174.8442 30 P 4.1651 0.0000 0.0000 62.5330 31.4106 175.9554 31 G 3.9127 7.7955 110.5651 46.0115 0.0000 172.0066 32 C 4.3515 8.4755 115.0041 60.2031 28.3354 173.1724 33 Q 4.4385 7.3893 117.5641 53.9616 32.4608 173.4685 34 D 4.3208 7.9734 116.9724 53.1167 43.2696 174.2863 35 Y 5.1507 8.1859 122.2961 57.1531 38.7688 177.7768 36 V 3.6949 8.4662 123.7440 65.2926 31.2196 178.0269 37 D 4.4083 8.1985 119.1270 57.0823 40.3264 178.2444 38 D 4.4392 8.3153 118.8442 57.6051 40.9275 178.8947 39 F 3.9930 8.4640 118.0805 60.5179 39.0602 177.8902 40 I 3.8164 8.3125 119.8683 64.5288 36.6778 178.2522 41 Q 4.0667 8.1854 119.3943 58.6114 28.8951 177.3473 42 Q 4.3428 7.6153 115.9035 54.2388 29.9421 175.2528 43 E 3.7090 7.8289 118.2527 57.3591 27.5010 176.5111 44 I 4.1070 7.5051 119.6729 60.6066 37.4405 175.8905 45 D 5.0144 8.3325 126.8655 51.5860 42.1967 177.1510 46 G 3.6978 9.0223 105.4178 48.4051 0.0000 175.7378 47 Q 3.9438 8.0596 118.6655 58.7168 29.1114 178.4757 48 A 4.1202 8.6480 121.9831 54.9851 18.2618 179.3460 49 L 4.0307 8.4086 119.3449 58.4381 41.9273 179.3042 50 L 3.9623 7.7535 117.9151 57.1125 41.5945 178.5817 51 L 4.4689 7.5142 116.9772 54.1239 42.0755 176.4872 52 L 4.1003 7.1234 122.0997 54.6375 42.3427 175.8995 53 K 4.7548 8.5974 124.2765 53.8019 35.8468 176.6819 54 E 3.9629 8.9113 119.2606 59.9121 29.1178 179.9066 55 K 3.8658 7.9721 117.9513 60.3310 32.4560 178.8360 56 H 4.2070 8.0726 117.1567 58.6239 28.5171 177.7033 57 L 3.9067 7.8008 118.9487 57.7342 41.2354 179.3784 58 V 3.7315 8.0498 118.3742 66.0624 31.4922 177.8615 59 N 4.5451 8.3231 114.6620 54.7436 38.4855 175.8293 60 A 4.4314 7.6305 121.7775 51.9673 19.3426 177.0363 *62 G 3.5738 7.7796 106.8111 46.0558 0.0000 173.3047 *64 K 4.0868 7.8675 124.5449 55.5625 34.7906 176.1070 65 L 4.0374 8.3649 123.2422 58.2212 42.1217 179.4206 66 G 3.6908 8.1095 105.1348 47.6340 0.0000 173.5394 67 P 4.2683 0.0000 0.0000 64.7713 31.4081 178.5466 68 A 3.9400 7.8426 119.4025 55.2522 18.2705 179.6170 69 R 4.0147 8.3527 117.5676 59.6581 30.1054 178.9059 70 K 4.0259 8.0745 118.1416 59.2886 31.9242 179.5300 71 I 3.7661 7.9016 120.1556 64.4976 37.1389 178.4478 72 V 3.6201 7.9694 118.8315 66.1865 31.2720 177.9219 73 A 4.0346 8.3298 120.5443 54.8524 18.1546 179.5660 74 K 3.9474 8.2673 118.2854 59.5982 32.3535 179.0294 75 V 3.4489 8.1186 118.9486 66.1366 31.2182 177.8108 76 E 3.9731 7.9977 115.9508 59.3773 29.3381 178.9359 77 S 4.2565 7.8494 114.5172 61.3333 63.2166 176.2412 78 I 3.8207 7.6861 122.6593 63.7508 36.9282 176.5346 79 K 4.1322 7.7526 123.7551 56.6487 32.1820 176.2219 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 P 0.00 4.47 0.00 2.38 2.21 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 13 P 0.00 4.21 0.00 2.23 1.94 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 14 I 7.73 2.00 1.31 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.14 0.16 0.00 0.00 15 S 7.81 4.20 0.00 3.92 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 16 S 7.82 4.62 0.00 4.06 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 17 W 8.43 4.55 0.00 3.44 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 18 S 9.28 4.80 0.00 4.05 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 19 V 8.13 4.04 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 1.50 0.00 0.00 0.99 0.00 0.00 20 D 8.07 4.36 0.00 2.72 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 21 D 8.13 4.12 0.00 2.84 1.95 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 0.00 0.00 0.00 0.00 22 V 7.94 3.92 2.53 0.00 0.00 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 0.00 0.00 1.39 0.00 0.00 23 S 8.45 4.14 0.00 4.07 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 24 N 8.28 4.26 0.00 2.75 2.93 0.00 0.00 6.67 7.73 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 25 F 7.94 4.16 0.00 2.81 3.35 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 26 I 7.83 3.25 1.57 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.36 0.64 0.00 0.00 27 R 7.79 3.81 0.00 1.84 1.89 0.00 3.21 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 28 E 7.67 4.40 0.00 2.00 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 2.25 2.32 0.00 29 L 7.04 3.81 0.00 1.38 1.50 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.17 0.00 2.20 2.04 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 31 G 7.80 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 32 C 8.48 4.35 0.00 2.97 2.96 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 33 Q 7.39 4.44 0.00 1.53 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 34 D 7.97 4.32 0.00 2.41 2.37 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 35 Y 8.19 5.15 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 3.69 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 1.02 0.00 0.00 1.00 0.00 0.00 37 D 8.20 4.41 0.00 2.77 2.81 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 38 D 8.32 4.44 0.00 3.14 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 39 F 8.46 3.99 0.00 3.27 3.23 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 0.00 40 I 8.31 3.82 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.95 0.00 0.00 41 Q 8.19 4.07 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 42 Q 7.62 4.34 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 43 E 7.83 3.71 0.00 2.11 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 2.28 2.27 0.00 44 I 7.51 4.11 2.19 0.00 0.00 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 1.61 0.80 1.14 0.00 0.00 45 D 8.33 5.01 0.00 3.14 2.90 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 0.00 0.00 0.00 46 G 9.02 3.70 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 0.00 0.00 0.00 47 Q 8.06 3.94 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 48 A 8.65 4.12 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 49 L 8.41 4.03 0.00 2.00 1.86 1.25 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.75 3.96 0.00 1.80 1.65 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.51 4.47 0.00 1.72 1.68 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.12 4.10 0.00 1.77 1.80 0.85 0.60 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 53 K 8.60 4.75 0.00 1.77 1.67 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.38 7.81 54 E 8.91 3.96 0.00 2.03 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 0.00 2.41 2.46 0.00 55 K 7.97 3.87 0.00 1.88 1.99 0.00 1.30 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.09 7.81 56 H 8.07 4.21 0.00 3.37 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.80 3.91 0.00 1.58 1.67 0.98 0.79 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 58 V 8.05 3.73 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 1.01 0.00 0.00 0.94 0.00 0.00 59 N 8.32 4.55 0.00 2.86 2.84 0.00 0.00 6.96 6.87 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 60 A 7.63 4.43 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 G 7.78 3.57 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 *64 K 7.87 4.09 0.00 1.80 1.78 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 65 L 8.36 4.04 0.00 1.74 1.66 0.91 0.97 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 66 G 8.11 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 0.00 0.00 0.00 67 P 0.00 4.27 0.00 2.01 2.08 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 68 A 7.84 3.94 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 69 R 8.35 4.01 0.00 1.86 2.11 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 70 K 8.07 4.03 0.00 2.05 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.65 7.81 71 I 7.90 3.77 2.09 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 1.43 0.79 1.11 0.00 0.00 72 V 7.97 3.62 2.24 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 1.07 0.00 0.00 1.08 0.00 0.00 73 A 8.33 4.03 1.43 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 0.00 0.00 0.00 74 K 8.27 3.95 0.00 2.11 2.24 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.82 1.89 7.81 75 V 8.12 3.45 2.26 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 0.86 0.00 0.00 1.08 0.00 0.00 76 E 8.00 3.97 0.00 2.14 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 0.00 2.37 2.57 0.00 77 S 7.85 4.26 0.00 4.08 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 78 I 7.69 3.82 1.84 0.00 0.00 0.79 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 0.78 0.84 0.00 0.00 79 K 7.75 4.13 0.00 1.60 1.59 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.