NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6729 8.3644 120.4689 54.2495 42.3273 174.2752 3 V 4.2305 8.1075 122.4768 60.7693 35.5777 172.5609 4 F 5.3038 9.6430 127.2074 56.3600 42.2823 174.6502 5 L 5.1143 9.7021 125.9775 53.2551 45.5953 172.1072 6 M 4.3181 8.8706 118.7732 54.3237 34.4554 175.2606 7 I 4.6731 8.7495 126.7016 60.2252 38.6016 175.4676 8 R 5.1972 8.9858 128.9973 55.2117 33.4121 176.5173 9 R 4.4727 9.1567 121.1879 57.5273 35.0356 173.7926 *10 H 3.9974 8.4192 119.8315 55.1956 26.9914 172.9690 11 K 4.7443 8.8621 114.1189 57.6491 32.5283 175.5232 12 T 4.7918 8.0871 108.4524 60.2775 71.3212 173.0019 13 T 5.0362 8.3405 119.0312 62.6385 72.6401 172.9816 14 I 4.5225 9.0425 128.3617 59.7020 39.5085 174.7433 15 F 5.0580 9.1119 126.3023 56.5364 39.7869 175.0465 16 T 4.9157 8.7677 117.9480 60.6929 71.3728 172.0655 17 D 5.2757 8.2272 124.2895 51.9371 42.5485 174.2995 18 A 3.9937 8.0194 119.1730 52.8899 23.1234 177.7159 19 K 3.8443 9.1664 124.0824 59.0904 31.5248 179.9716 *22 S 4.2447 9.0052 118.2588 58.7019 64.5651 175.4186 23 T 4.6679 7.8219 109.6324 60.3493 70.7572 175.7394 24 V 3.5968 8.6000 124.2380 67.0779 31.4436 178.8384 *25 F 4.2195 7.9046 119.5923 61.9186 38.2015 180.5917 26 E 4.3804 8.0602 121.5359 58.9830 29.1482 180.0699 27 L 4.2190 7.7922 125.5184 59.8173 41.0716 185.0000 28 K 4.3132 8.0077 126.4021 60.1522 31.4516 182.1928 29 R 4.1972 7.5353 118.5354 61.8281 29.1111 183.4505 30 I 3.9268 7.5229 119.2188 64.0278 37.4068 178.2321 31 V 3.7834 7.9184 121.5816 66.6630 31.5327 178.1839 32 E 4.4821 7.7085 119.5830 60.4987 29.1866 181.1288 33 G 4.3043 8.0408 106.2054 45.7912 0.0000 174.5796 34 I 4.5123 8.1319 120.0872 61.5205 38.8694 180.0368 35 L 4.1945 8.0243 122.2929 54.4799 41.8453 179.5255 36 K 4.0385 7.9142 120.6091 56.9770 29.0220 181.1261 37 R 4.7582 7.2437 121.3773 54.3673 34.0114 175.4649 38 P 4.6591 0.0000 0.0000 60.3024 31.6720 173.9479 39 P 4.0871 0.0000 0.0000 63.4117 31.8183 177.1905 *46 K 4.0294 8.3974 121.5524 55.2650 34.0495 177.2875 47 D 4.6143 9.4528 131.5435 55.2553 38.1724 176.2592 48 D 4.9827 9.3475 124.2178 54.4506 41.4851 177.5089 49 Q 4.8607 7.7398 121.9442 54.6272 32.0548 177.7170 50 L 4.6464 8.2333 115.2995 56.3228 42.0260 173.9027 *62 F 4.3804 8.0105 118.8898 57.7016 38.4511 176.6106 63 T 4.6690 7.7489 124.3772 60.6977 70.7638 176.1398 64 S 4.1973 8.4538 115.8462 61.8319 63.1282 175.7584 65 Q 4.3983 8.1655 119.0924 57.1735 28.6399 176.9347 66 T 4.5174 7.6668 108.1524 60.8651 71.6085 178.8637 67 A 4.7267 8.1860 123.8545 50.1626 18.9813 175.1696 68 R 4.9541 8.3455 120.8881 53.5147 32.5498 176.2434 69 P 3.6713 0.0000 0.0000 65.7145 31.0891 178.0667 70 Q 4.1891 7.8260 112.0262 57.3207 29.4382 176.4957 71 A 4.7142 7.6515 122.0081 50.4801 20.0857 172.7872 72 P 5.1548 0.0000 0.0000 61.3307 32.7441 176.3364 73 A 4.3376 8.6126 125.1512 52.0543 20.1202 176.2479 74 T 4.6933 8.3565 117.6727 62.2838 70.0242 174.9258 75 V 4.2269 8.6815 125.2004 62.8674 33.3293 174.3483 *91 E 4.2712 8.1204 117.4026 55.1015 30.2964 174.1824 92 P 4.1531 0.0000 0.0000 62.3859 32.0356 175.9469 93 F 4.9462 7.9771 119.2894 56.1892 40.0938 175.8647 94 S 4.2545 8.6223 116.4046 58.9145 63.0035 173.6578 95 S 4.6192 8.3446 116.4143 56.0847 63.1171 172.3743 96 P 4.3907 0.0000 0.0000 61.9502 31.6900 174.3775 97 P 4.5417 0.0000 0.0000 61.8394 32.0820 176.1922 98 E 4.0466 8.4326 119.4363 56.0346 29.8340 177.2217 99 L 3.9863 8.4574 124.9634 54.5762 42.8084 175.1002 100 P 4.4194 0.0000 0.0000 62.6277 32.3687 177.0035 101 D 4.3592 8.8322 121.6056 57.7975 40.8480 179.1116 102 V 3.8549 7.7704 109.3971 63.2432 31.5920 176.3743 103 M 4.4425 7.7966 118.4521 54.9162 32.6618 176.4258 104 K 4.3011 7.6725 118.5621 55.3198 33.1320 175.3386 105 P 4.4431 0.0000 0.0000 62.9360 31.3946 176.4188 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 D 8.36 4.67 0.00 2.54 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 0.00 0.00 0.00 0.00 3 V 8.11 4.23 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 0.97 0.00 0.00 0.93 0.00 0.00 4 F 9.64 5.30 0.00 3.10 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 5 L 9.70 5.11 0.00 1.23 1.48 0.92 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.87 4.32 0.00 1.63 1.80 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.84 0.00 7 I 8.75 4.67 1.85 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 1.19 0.57 0.95 0.00 0.00 8 R 8.99 5.20 0.00 1.53 1.73 0.00 3.24 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 9 R 9.16 4.47 0.00 1.72 1.73 0.00 3.42 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 *10 H 8.42 4.00 0.00 3.04 2.06 0.00 7.14 0.00 0.00 0.00 0.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.86 4.74 0.00 1.74 1.87 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 12 T 8.09 4.79 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 1.24 0.00 0.00 13 T 8.34 5.04 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 1.36 0.00 0.00 14 I 9.04 4.52 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 1.28 0.65 0.97 0.00 0.00 15 F 9.11 5.06 0.00 2.91 3.10 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 16 T 8.77 4.92 4.29 0.00 0.00 0.00 0.00 0.00 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 17 D 8.23 5.28 0.00 2.11 2.42 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 18 A 8.02 3.99 1.15 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 0.00 0.00 19 K 9.17 3.84 0.00 1.62 1.57 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.36 7.81 *22 S 9.01 4.24 0.00 3.65 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 23 T 7.82 4.67 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 1.23 0.00 0.00 24 V 8.60 3.60 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 0.83 0.00 0.00 0.92 0.00 0.00 *25 F 7.90 4.22 0.00 2.33 2.27 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 26 E 8.06 4.38 0.00 1.95 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 2.32 2.31 0.00 27 L 7.79 4.22 0.00 1.64 1.67 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.01 4.31 0.00 1.76 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 29 R 7.54 4.20 0.00 1.87 1.96 0.00 3.24 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 1.56 1.54 0.00 30 I 7.52 3.93 2.03 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 1.73 1.21 0.92 0.00 0.00 31 V 7.92 3.78 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 1.05 0.00 0.00 0.96 0.00 0.00 32 E 7.71 4.48 0.00 2.02 1.98 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 2.26 2.09 0.00 33 G 8.04 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 0.00 0.00 0.00 0.00 34 I 8.13 4.51 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 1.16 0.86 0.91 0.00 0.00 35 L 8.02 4.19 0.00 1.66 1.59 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.91 4.04 0.00 1.95 1.72 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.23 7.81 37 R 7.24 4.76 0.00 1.66 1.73 0.00 3.21 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 38 P 0.00 4.66 0.00 2.08 1.86 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 39 P 0.00 4.09 0.00 2.02 2.03 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 *46 K 8.40 4.03 0.00 1.71 1.78 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 47 D 9.45 4.61 0.00 2.83 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 48 D 9.35 4.98 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.86 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.39 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 50 L 8.23 4.65 0.00 1.61 1.50 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *62 F 8.01 4.38 0.00 2.32 2.21 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 0.00 63 T 7.75 4.67 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 1.24 0.00 0.00 64 S 8.45 4.20 0.00 4.05 4.15 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 65 Q 8.17 4.40 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.89 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 66 T 7.67 4.52 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 67 A 8.19 4.73 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 68 R 8.35 4.95 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 69 P 0.00 3.67 0.00 1.69 1.47 0.00 3.45 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.44 0.00 70 Q 7.83 4.19 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.22 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 71 A 7.65 4.71 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 72 P 0.00 5.15 0.00 1.88 2.02 0.00 3.80 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 73 A 8.61 4.34 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 74 T 8.36 4.69 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 1.16 0.00 0.00 75 V 8.68 4.23 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 0.82 0.00 0.00 0.90 0.00 0.00 *91 E 8.12 4.27 0.00 2.20 1.90 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 2.19 2.28 0.00 92 P 0.00 4.15 0.00 2.01 1.92 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 93 F 7.98 4.95 0.00 3.09 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 94 S 8.62 4.25 0.00 4.01 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 95 S 8.34 4.62 0.00 3.87 3.83 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 96 P 0.00 4.39 0.00 2.09 1.98 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 97 P 0.00 4.54 0.00 2.04 2.00 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 98 E 8.43 4.05 0.00 1.96 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 2.32 2.25 0.00 99 L 8.46 3.99 0.00 1.58 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.42 0.00 2.21 1.96 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 101 D 8.83 4.36 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.77 3.85 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 0.70 0.00 0.00 0.93 0.00 0.00 103 M 7.80 4.44 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 104 K 7.67 4.30 0.00 1.78 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.57 7.81 105 P 0.00 4.44 0.00 2.04 1.95 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.