NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9547 8.3549 109.7339 45.0098 0.0000 174.2345 10 S 4.5670 7.6566 115.4893 55.5358 66.8635 171.7423 11 L 4.1668 9.2262 128.6765 54.5016 43.5163 174.6165 12 D 5.0798 8.7127 127.0133 52.9929 41.8523 175.5883 13 L 4.3767 9.0131 126.4376 54.4688 42.5244 176.4517 14 H 4.3435 7.8123 119.8908 58.1393 29.7979 175.2780 15 G 3.9472 9.0536 115.6188 45.1556 0.0000 173.3181 16 L 4.2721 7.2900 119.0468 54.3361 42.5624 177.2063 17 H 4.5011 8.4367 117.5381 55.5261 30.6274 176.9921 18 V 3.5838 8.3097 123.0586 66.1195 31.4333 178.0327 19 D 4.3225 8.0756 118.3605 56.7512 39.0934 178.1960 20 E 3.8739 8.1713 120.4818 58.3633 29.6192 178.3272 21 A 3.9594 8.1279 120.9445 55.3500 18.4448 179.7320 22 L 3.5921 8.0544 117.5635 57.4372 41.5446 179.4045 23 E 3.7984 8.0756 119.4680 59.5838 29.5141 178.6344 24 H 4.0977 8.2011 116.3089 58.6388 28.7562 177.3885 25 L 3.7611 7.9066 122.2698 58.3077 41.8139 178.6846 26 M 3.9230 7.8518 117.9225 58.8364 32.2505 178.3155 27 R 3.9148 7.8409 118.1273 59.3734 30.2243 179.3542 28 V 3.6277 8.0790 118.2104 65.7502 31.5046 178.0947 29 L 3.9674 7.9900 118.9390 57.5510 41.3703 178.9759 30 E 3.9735 8.3271 119.2323 59.2190 29.6459 178.7022 31 K 3.9125 8.1264 119.4689 59.7169 32.2618 178.9516 32 K 4.0972 8.5380 119.0228 59.5130 31.8809 179.6987 33 T 3.9878 8.1679 116.2967 66.5927 68.4254 176.2910 34 E 3.9810 8.6381 121.6773 59.3803 29.6349 178.7961 35 E 3.9470 8.2785 118.4976 59.5185 29.6246 179.1270 36 F 4.8209 8.7720 122.3399 60.5151 39.1522 177.1560 37 K 3.8994 8.0015 117.8072 59.6108 32.7675 179.0728 38 Q 4.1713 7.9215 118.4250 58.1462 28.7833 176.8651 39 N 4.8879 8.0332 113.0640 52.0835 41.2358 176.6548 40 G 3.3099 8.2285 107.0951 47.9212 0.0000 171.3395 41 G 4.0485 8.6311 107.3663 43.9143 0.0000 172.2861 42 K 3.9658 8.3652 122.6911 56.3843 32.8571 175.3334 43 P 3.7527 0.0000 0.0000 62.2740 32.1981 174.6910 44 Y 5.2176 6.9942 116.2191 55.8946 41.0663 173.2950 45 L 4.7039 9.0262 123.0116 53.3615 44.8034 174.9642 46 S 5.0247 8.7741 121.2641 57.5658 64.0687 172.4553 47 V 4.7065 8.9250 127.8164 61.1831 34.1334 174.1207 48 I 4.8464 9.0241 130.0380 60.5951 37.5250 176.4331 49 T 4.3291 9.0985 118.6504 61.7854 70.4650 174.9542 50 G 3.6361 7.0178 110.8746 46.0193 0.0000 172.9947 51 R 4.4797 8.9686 114.3807 54.2051 31.6523 173.7857 52 G 3.2237 8.1711 106.9430 44.4357 0.0000 174.0677 *57 G 3.8842 8.4489 115.6357 43.6975 0.0000 175.0631 58 G 3.8545 8.0429 109.0855 46.7343 0.0000 176.3591 59 V 3.7679 8.8772 123.6930 64.0504 31.7251 175.3964 60 A 4.2598 8.1437 121.3723 53.7138 18.9228 178.4855 61 R 4.1017 7.7368 116.6502 55.7452 31.4594 177.6177 62 I 3.7732 8.2919 124.7460 64.2276 37.3133 178.3949 63 K 3.8268 7.9622 119.9288 59.2474 32.0356 176.9050 64 P 4.2901 0.0000 0.0000 65.2272 31.2583 178.3859 65 A 3.9871 7.6272 118.3502 55.2686 18.2701 179.8745 66 V 3.4838 8.1151 117.0373 66.1136 31.5042 178.1176 67 I 3.4342 8.0412 119.9814 64.2266 36.8863 178.2476 68 K 3.9380 8.2572 120.3739 59.6407 31.9345 177.9333 69 Y 4.0370 8.1669 119.7600 60.8455 38.6117 178.3066 70 L 4.2961 8.3103 119.7617 58.1103 41.8559 179.6703 71 I 3.8768 8.2175 119.9457 64.5756 36.8386 178.6783 72 S 4.1801 8.2594 115.1790 60.9650 62.5432 175.5219 73 H 4.7292 7.4612 116.7244 54.5905 29.1614 174.3835 74 S 3.7659 7.7145 114.6350 59.5389 60.8400 172.1353 75 F 4.5444 8.3710 118.5659 57.1837 39.6341 176.0572 76 R 4.6153 8.7613 122.2238 55.8522 31.7797 175.2611 77 F 5.5470 7.8709 115.8888 56.0853 41.1070 173.1336 78 S 4.6801 9.1763 113.5323 56.6260 66.4745 172.9645 79 E 4.9403 8.7577 123.2523 54.3157 29.1082 175.6439 80 I 3.8519 8.5127 126.7026 62.9058 38.7548 175.9060 81 K 4.6830 7.5425 118.5725 53.6664 35.2791 173.5007 82 P 4.5009 0.0000 0.0000 64.6341 31.6935 177.0921 83 G 4.0505 9.4785 110.5626 45.9153 0.0000 171.8441 84 C 5.2076 8.3958 121.3031 57.5304 34.0547 172.3582 85 L 5.0323 9.0451 126.8331 52.9756 44.3353 175.7036 86 K 4.8751 9.2273 123.4347 55.0116 33.9557 175.4213 87 V 4.8121 8.7992 126.8848 61.3368 33.2153 174.9340 88 M 4.6842 8.9848 128.8771 55.4023 32.6294 176.5883 89 L 4.4118 8.3223 122.4878 54.9265 41.5658 176.6168 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 9 G 8.35 3.95 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 0.00 0.00 0.00 10 S 7.66 4.57 0.00 3.80 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 11 L 9.23 4.17 0.00 1.72 1.50 0.85 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.71 5.08 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.01 4.38 0.00 1.66 1.63 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.81 4.34 0.00 3.00 3.37 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.05 3.95 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 0.00 0.00 0.00 16 L 7.29 4.27 0.00 1.78 1.62 0.91 1.08 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 17 H 8.44 4.50 0.00 3.16 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.31 3.58 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 1.16 0.00 0.00 0.92 0.00 0.00 19 D 8.08 4.32 0.00 2.94 2.92 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 20 E 8.17 3.87 0.00 2.05 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 2.45 2.35 0.00 21 A 8.13 3.96 1.34 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 0.00 0.00 0.00 22 L 8.05 3.59 0.00 1.58 1.41 0.97 0.87 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 23 E 8.08 3.80 0.00 2.06 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 2.16 2.28 0.00 24 H 8.20 4.10 0.00 3.29 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.91 3.76 0.00 1.60 1.44 0.72 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.85 3.92 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 27 R 7.84 3.91 0.00 1.89 1.96 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 28 V 8.08 3.63 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 1.01 0.00 0.00 0.96 0.00 0.00 29 L 7.99 3.97 0.00 1.84 1.62 0.20 0.45 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 30 E 8.33 3.97 0.00 2.09 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 0.00 2.35 2.37 0.00 31 K 8.13 3.91 0.00 1.92 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 32 K 8.54 4.10 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.60 7.81 33 T 8.17 3.99 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 34 E 8.64 3.98 0.00 2.19 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 0.00 2.33 2.43 0.00 35 E 8.28 3.95 0.00 2.27 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 2.35 2.58 0.00 36 F 8.77 4.82 0.00 3.08 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 37 K 8.00 3.90 0.00 2.00 2.12 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.48 7.81 38 Q 7.92 4.17 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.10 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 39 N 8.03 4.89 0.00 2.57 2.72 0.00 0.00 7.12 7.67 0.00 0.00 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 G 8.23 3.31 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 0.00 41 G 8.63 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.37 3.97 0.00 1.54 1.30 0.00 1.43 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 1.24 7.81 43 P 0.00 3.75 0.00 2.08 1.86 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 44 Y 6.99 5.22 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.03 4.70 0.00 1.73 1.54 0.90 0.86 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 46 S 8.77 5.02 0.00 4.13 4.01 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 0.00 0.00 0.00 47 V 8.93 4.71 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 0.83 0.00 0.00 0.86 0.00 0.00 48 I 9.02 4.85 1.86 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 1.28 0.45 0.93 0.00 0.00 49 T 9.10 4.33 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 1.13 0.00 0.00 50 G 7.02 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.97 4.48 0.00 1.71 1.87 0.00 3.35 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 52 G 8.17 3.22 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 0.00 0.00 0.00 0.00 *57 G 8.45 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.04 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.88 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 60 A 8.14 4.26 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 61 R 7.74 4.10 0.00 2.13 1.86 0.00 3.18 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 62 I 8.29 3.77 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 1.53 0.89 0.87 0.00 0.00 63 K 7.96 3.83 0.00 1.78 1.78 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.48 1.49 7.81 64 P 0.00 4.29 0.00 2.20 2.09 0.00 3.73 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 2.15 0.00 65 A 7.63 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.48 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 0.92 0.00 0.00 0.85 0.00 0.00 67 I 8.04 3.43 2.01 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 1.07 0.00 0.00 68 K 8.26 3.94 0.00 2.00 2.02 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.53 7.81 69 Y 8.17 4.04 0.00 3.24 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 70 L 8.31 4.30 0.00 1.88 1.94 0.40 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.22 3.88 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.44 0.96 0.00 0.00 72 S 8.26 4.18 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.46 4.73 0.00 3.26 3.32 0.00 5.81 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.71 3.77 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.37 4.54 0.00 3.20 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 76 R 8.76 4.62 0.00 1.81 1.85 0.00 3.12 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 77 F 7.87 5.55 0.00 3.11 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 78 S 9.18 4.68 0.00 3.85 3.90 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 79 E 8.76 4.94 0.00 2.12 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 2.23 2.32 0.00 80 I 8.51 3.85 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.94 0.00 0.00 81 K 7.54 4.68 0.00 1.92 1.84 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.40 7.81 82 P 0.00 4.50 0.00 2.05 2.05 0.00 3.71 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 2.03 2.10 0.00 83 G 9.48 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.40 5.21 0.00 2.94 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 85 L 9.05 5.03 0.00 1.50 1.49 0.61 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 86 K 9.23 4.88 0.00 1.59 1.57 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.85 0.87 7.81 87 V 8.80 4.81 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 1.07 0.00 0.00 0.89 0.00 0.00 88 M 8.98 4.68 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 89 L 8.32 4.41 0.00 1.09 1.51 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.