NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2804 0.0000 0.0000 63.5222 32.4997 177.5824 3 K 3.5288 8.3578 119.1641 55.7243 30.6114 175.6342 4 M 2.9543 8.6823 113.3570 55.5077 31.3108 176.7539 5 K 3.9845 8.5284 127.0056 56.6993 32.8029 176.0653 6 T 4.3512 8.0704 109.9337 59.9007 69.8458 172.3830 7 H 3.9771 8.8902 127.9964 55.7117 29.4110 175.1927 8 K 3.9650 8.7053 126.2412 59.2534 32.2121 178.9216 9 G 4.1171 8.2203 106.1626 48.9888 0.0000 174.3818 10 A 4.0540 8.2740 123.3340 54.4778 18.5847 179.1448 11 K 4.1380 7.9276 112.3287 57.4624 31.7586 176.9461 12 K 4.6435 7.4653 115.3765 55.9887 32.7453 176.5200 13 R 4.5166 7.6571 111.3753 56.4738 30.7325 175.4169 14 V 5.2637 7.4575 118.5286 60.2421 31.4342 173.6740 15 K 4.1067 8.2959 125.5891 56.0520 33.8577 174.6768 16 I 4.8666 8.1522 126.8431 59.0342 40.0021 175.0171 17 T 4.1127 8.1509 120.1938 61.9278 68.6711 173.9765 18 A 4.2279 8.5828 123.3326 54.2398 19.0484 179.2045 19 S 4.2269 8.3444 110.2145 61.8399 63.9519 173.6898 20 G 2.9601 7.0911 109.3293 44.9701 0.0000 173.8470 21 K 4.5615 8.0047 120.0212 53.9117 35.5821 177.7105 22 V 3.8028 8.4416 125.9167 63.1556 32.8304 174.8814 23 V 5.4263 8.7520 125.8301 60.8252 35.3042 173.6543 24 A 4.9004 8.3154 126.6125 50.8083 22.7633 176.5128 25 M 4.9417 8.5198 115.5647 54.9277 31.1548 176.4547 26 K 4.5896 8.2992 122.6217 55.9247 36.3143 175.7013 27 T 4.4040 8.3638 112.3542 60.8160 70.6200 173.9400 28 G 3.5132 8.1927 110.2122 45.2534 0.0000 173.5142 29 K 4.1696 7.0747 117.7084 53.2672 35.4298 175.8870 30 R 3.4560 8.9527 117.8598 58.4548 28.7799 176.2591 31 H 3.9123 7.5415 117.2888 59.3159 27.3115 178.3289 32 L 3.1582 8.7828 117.2140 53.2468 43.1608 176.1595 33 N 4.8175 9.6019 129.0003 54.6890 39.8023 174.2456 34 W 4.1566 7.9003 126.2165 58.5140 31.1698 176.1679 35 Q 3.5543 7.6090 114.6865 55.6553 25.9275 173.0205 36 K 4.4904 8.1999 118.2563 57.3576 29.7242 175.3533 37 S 4.3369 6.8614 117.6651 56.5468 68.1374 173.5333 38 G 3.9257 10.0415 118.2757 45.4649 0.0000 174.3779 39 K 4.1070 8.0994 123.5655 56.8464 32.7578 177.3802 40 E 3.8904 8.5153 119.9897 59.6341 29.6454 179.0698 41 I 3.3328 7.7322 110.2291 63.9537 37.1560 176.0571 42 R 3.7049 7.3071 119.5466 59.6351 30.5893 175.5299 43 Q 4.3015 7.8801 119.5079 55.8325 28.0122 179.0035 44 K 4.6577 7.3989 116.8213 54.9952 35.3441 177.5331 45 G 4.1947 7.6629 113.4506 45.4499 0.0000 173.8756 46 R 5.0719 9.1321 126.5643 56.4539 33.4386 173.2971 47 K 4.7359 7.3705 122.1460 58.0362 36.0509 174.6078 48 F 5.2868 8.6520 116.9348 55.4993 39.7410 175.0309 49 V 3.8576 8.0932 114.8548 63.1477 33.6023 171.8368 50 L 3.7042 8.3284 128.2956 55.3083 43.0213 175.5454 51 A 4.6234 8.6448 125.6229 52.6726 18.3138 178.2895 52 K 4.3053 8.4835 115.9937 57.9264 32.9843 176.7052 53 P 5.3537 0.0000 0.0000 65.1059 31.1995 177.5254 54 E 4.0663 8.2363 115.6944 58.0024 29.1996 178.0174 55 A 4.2196 7.8724 122.2997 54.3210 19.6752 179.2242 56 E 3.8273 8.2099 117.2174 59.8104 29.6605 179.6415 57 R 3.8604 8.0929 117.3440 59.2413 30.2510 177.1814 58 I 4.6093 7.7124 117.8569 61.1175 37.4299 176.3192 59 K 4.7079 8.2740 119.4540 57.9975 39.0221 177.7657 60 L 4.5591 7.4267 115.6732 55.1720 41.4004 179.5966 61 L 4.0130 8.4819 120.4536 58.2256 41.9155 179.1651 62 L 4.2455 8.0222 117.1792 57.3798 41.8191 177.0398 63 P 4.1920 0.0000 0.0000 63.9075 31.1021 176.3459 64 Y 3.2243 7.6343 122.2468 57.9001 39.3790 170.4305 *65 E 4.1630 8.4877 114.7853 56.1083 30.5285 172.5646 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 P 0.00 4.28 0.00 2.24 2.25 0.00 3.79 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 1.97 2.00 0.00 3 K 8.36 3.53 0.00 2.02 2.01 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.49 7.81 4 M 8.68 2.95 0.00 2.23 2.44 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 5 K 8.53 3.98 0.00 1.75 1.83 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 6 T 8.07 4.35 4.27 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 1.27 0.00 0.00 7 H 8.89 3.98 0.00 3.19 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.71 3.97 0.00 1.76 1.86 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.38 7.81 9 G 8.22 4.12 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 0.00 0.00 0.00 10 A 8.27 4.05 1.25 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 11 K 7.93 4.14 0.00 1.80 1.98 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.43 7.81 12 K 7.47 4.64 0.00 1.98 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.60 7.81 13 R 7.66 4.52 0.00 1.84 1.93 0.00 2.98 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 14 V 7.46 5.26 2.12 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 0.99 0.00 0.00 0.96 0.00 0.00 15 K 8.30 4.11 0.00 1.89 1.67 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.45 7.81 16 I 8.15 4.87 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.10 0.89 0.00 0.00 17 T 8.15 4.11 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 1.21 0.00 0.00 18 A 8.58 4.23 1.31 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 0.00 0.00 0.00 19 S 8.34 4.23 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.09 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 0.00 0.00 0.00 21 K 8.00 4.56 0.00 1.69 1.75 0.00 1.54 0.00 0.00 1.36 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.29 7.81 22 V 8.44 3.80 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 0.93 0.00 0.00 0.96 0.00 0.00 23 V 8.75 5.43 2.25 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 0.93 0.00 0.00 1.07 0.00 0.00 24 A 8.32 4.90 1.23 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 0.00 0.00 25 M 8.52 4.94 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 26 K 8.30 4.59 0.00 1.61 1.55 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.29 7.81 27 T 8.36 4.40 4.19 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 1.17 0.00 0.00 28 G 8.19 3.51 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 0.00 0.00 0.00 29 K 7.07 4.17 0.00 1.49 1.52 0.00 1.91 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 30 R 8.95 3.46 0.00 1.85 1.95 0.00 3.40 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 31 H 7.54 3.91 0.00 3.32 3.35 0.00 5.95 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 32 L 8.78 3.16 0.00 1.83 2.03 1.25 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.60 4.82 0.00 2.99 3.10 0.00 0.00 6.84 7.95 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 34 W 7.90 4.16 0.00 3.30 3.32 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 35 Q 7.61 3.55 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 36 K 8.20 4.49 0.00 1.51 1.61 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.31 7.81 37 S 6.86 4.34 0.00 4.13 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 38 G 10.04 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 39 K 8.10 4.11 0.00 1.99 2.00 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.37 7.81 40 E 8.52 3.89 0.00 2.06 1.76 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 2.25 2.31 0.00 41 I 7.73 3.33 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 1.16 0.00 0.00 42 R 7.31 3.70 0.00 1.77 2.14 0.00 3.29 0.00 0.00 3.22 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 43 Q 7.88 4.30 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 44 K 7.40 4.66 0.00 1.88 1.64 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.22 1.38 7.81 45 G 7.66 4.19 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 0.00 0.00 0.00 46 R 9.13 5.07 0.00 1.68 1.83 0.00 3.36 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 47 K 7.37 4.74 0.00 1.80 1.92 0.00 1.07 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 1.06 7.81 48 F 8.65 5.29 0.00 3.10 3.03 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 0.00 0.00 0.00 49 V 8.09 3.86 2.07 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 0.77 0.00 0.00 0.89 0.00 0.00 50 L 8.33 3.70 0.00 2.10 1.68 0.97 1.18 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 51 A 8.64 4.62 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 52 K 8.48 4.31 0.00 1.80 1.76 0.00 1.51 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.44 7.81 53 P 0.00 5.35 0.00 2.31 2.30 0.00 3.94 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 2.08 1.97 0.00 54 E 8.24 4.07 0.00 2.20 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 0.00 2.38 2.37 0.00 55 A 7.87 4.22 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 56 E 8.21 3.83 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 57 R 8.09 3.86 0.00 1.80 1.90 0.00 3.00 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 58 I 7.71 4.61 1.96 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 1.39 0.71 0.90 0.00 0.00 59 K 8.27 4.71 0.00 1.77 1.80 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 60 L 7.43 4.56 0.00 1.79 1.65 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.48 4.01 0.00 1.63 1.78 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.02 4.25 0.00 1.68 1.76 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.19 0.00 2.22 2.24 0.00 3.96 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 64 Y 7.63 3.22 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.