NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1564 0.0000 0.0000 63.2010 32.2991 174.1714 3 K 3.4462 8.8580 126.7207 55.6032 29.7327 172.9882 4 M 4.2317 9.1354 126.0068 55.2732 33.5977 175.6951 5 K 4.6349 8.1986 119.8262 54.7365 34.5373 176.7107 6 T 4.2655 8.1461 112.2337 61.4119 69.7944 174.7941 7 H 4.3941 8.9067 123.1187 55.1039 30.0399 176.1834 8 K 4.3632 8.5948 128.7488 59.6252 31.8920 179.1199 9 G 3.8817 8.3624 103.6810 48.0051 0.0000 175.0331 10 A 4.0485 7.9844 122.2652 54.8340 18.4018 179.0847 11 K 3.7742 8.7550 117.8845 59.9667 32.3059 178.2994 12 K 4.3801 8.4248 115.6237 57.4534 31.9764 177.7894 13 R 4.6982 7.9832 114.6452 55.2813 30.6726 175.0936 14 V 4.5272 7.6525 116.8425 61.2877 33.9737 172.6884 15 K 4.5688 8.9230 127.2740 54.6900 34.4155 174.4420 16 I 4.8119 8.2378 126.7691 59.6646 39.9373 175.5211 17 T 4.3548 8.7126 119.9739 60.2003 70.8250 174.9712 18 A 3.9641 8.5870 123.4413 55.8944 18.2255 179.4990 19 S 4.1095 7.9314 109.8866 60.3698 62.9828 175.7100 20 G 3.9687 7.7884 107.7417 44.6411 0.0000 173.6310 21 K 4.0950 7.4904 119.5339 55.9011 33.3499 176.2723 22 V 4.3390 8.1227 124.0379 62.0590 32.7932 175.1721 23 V 5.0465 9.4615 126.6535 60.4602 35.1817 174.2368 24 A 4.7286 8.1489 126.0397 51.1923 22.6257 174.7546 25 M 5.1097 8.3866 121.5707 54.8826 31.7535 176.5603 26 K 4.5956 8.3804 123.8883 55.4516 35.5478 176.3157 27 T 3.9753 8.5443 114.0110 62.5468 69.6593 173.2022 28 G 3.8146 8.9591 111.8087 45.3676 0.0000 172.9250 29 K 4.5586 7.4509 118.9276 57.6027 37.8055 177.0252 30 R 4.2705 8.3128 115.7345 57.2395 29.7566 176.1364 31 H 5.1802 7.7147 121.8306 55.5792 30.6069 175.4866 32 L 3.9872 8.6498 120.8624 58.9424 41.4822 176.7902 33 N 4.0433 7.2097 113.4401 50.7187 40.4567 172.8331 34 W 3.6043 8.1246 133.7863 57.8123 28.8140 174.0841 35 Q 4.1332 6.4152 114.1211 55.1280 29.2945 170.8732 36 K 4.2905 7.7640 117.7714 53.8491 35.0255 175.9930 37 S 3.9957 8.3799 118.9725 57.1032 64.1914 175.6542 38 G 3.8591 9.0778 111.6900 49.3409 0.0000 175.6798 39 K 3.9741 8.1530 121.6936 58.8966 32.2244 177.2616 40 E 4.0805 7.6163 117.1797 58.0442 29.3649 177.7932 41 I 3.7224 8.1753 118.8179 64.5344 37.8883 177.8028 42 R 3.9630 8.6402 121.9772 59.2964 30.2935 180.0683 43 Q 4.4987 8.3448 120.1001 55.8450 27.9748 178.2983 44 K 4.6528 10.1262 116.5505 54.3156 33.6094 177.3224 45 G 4.0070 7.6960 113.2143 45.4358 0.0000 174.0950 46 R 5.1542 8.6210 123.6489 54.2877 33.8597 172.6154 47 K 4.4761 8.9553 118.6886 55.7907 36.1686 175.4703 48 F 5.2748 8.6808 125.8601 58.1523 40.8410 176.0337 49 V 3.8926 8.0659 123.2620 61.5755 32.7880 169.4772 50 L 4.4450 7.9112 127.3383 53.5798 44.4496 176.1356 51 A 4.9961 8.4944 128.2732 53.5313 17.6473 180.2723 52 K 4.0607 7.6507 114.3714 58.6187 32.0452 177.7545 53 P 4.2480 0.0000 0.0000 65.6162 31.1282 178.2603 54 E 3.8437 8.1022 117.6539 59.3629 29.2949 178.9543 55 A 3.8799 7.4177 118.7743 55.6718 18.4897 178.5618 56 E 3.9681 8.1037 118.4308 58.5902 29.7090 178.7127 57 R 3.9113 8.6364 119.2168 58.8886 30.2130 177.9632 58 I 4.3454 6.8676 117.7320 61.3461 37.2523 176.2544 59 K 4.6711 8.4714 118.1253 55.6586 34.1323 176.9379 60 L 4.9473 7.4693 120.0046 53.8897 42.0801 178.4116 61 L 4.2254 7.4225 119.9032 57.0440 40.8996 178.2042 62 L 4.1327 8.2204 124.4219 56.0524 42.3395 176.6972 63 P 4.4642 0.0000 0.0000 62.1783 32.2175 176.2496 64 Y 3.6606 8.2579 119.9235 57.0135 37.5948 170.4217 *65 E 4.1515 8.5233 114.6689 56.5550 30.5285 172.1411 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 4.16 0.00 2.19 2.14 0.00 3.89 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 1.88 1.96 0.00 3 K 8.86 3.45 0.00 1.97 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.53 7.81 4 M 9.14 4.23 0.00 2.06 2.01 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 2.62 2.58 0.00 5 K 8.20 4.63 0.00 1.71 1.69 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.39 7.81 6 T 8.15 4.27 4.38 0.00 0.00 0.00 0.00 0.00 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 7 H 8.91 4.39 0.00 3.22 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.59 4.36 0.00 1.81 1.86 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.46 7.81 9 G 8.36 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 10 A 7.98 4.05 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 11 K 8.76 3.77 0.00 1.73 2.10 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 12 K 8.42 4.38 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 13 R 7.98 4.70 0.00 1.83 1.92 0.00 3.08 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 14 V 7.65 4.53 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 0.65 0.00 0.00 1.01 0.00 0.00 15 K 8.92 4.57 0.00 1.88 1.70 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.38 7.81 16 I 8.24 4.81 1.85 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 1.38 1.14 0.91 0.00 0.00 17 T 8.71 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 1.26 0.00 0.00 18 A 8.59 3.96 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 19 S 7.93 4.11 0.00 3.85 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 20 G 7.79 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 0.00 0.00 0.00 21 K 7.49 4.09 0.00 1.75 1.41 0.00 1.74 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.29 7.81 22 V 8.12 4.34 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 0.74 0.00 0.00 0.94 0.00 0.00 23 V 9.46 5.05 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 1.34 0.00 0.00 1.02 0.00 0.00 24 A 8.15 4.73 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 8.39 5.11 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 26 K 8.38 4.60 0.00 1.68 1.67 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.33 7.81 27 T 8.54 3.98 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 1.22 0.00 0.00 28 G 8.96 3.81 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 0.00 0.00 0.00 29 K 7.45 4.56 0.00 1.77 1.75 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 30 R 8.31 4.27 0.00 1.86 1.96 0.00 3.53 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 31 H 7.71 5.18 0.00 3.27 3.36 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.65 3.99 0.00 1.71 1.86 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.21 4.04 0.00 2.79 2.78 0.00 0.00 6.89 7.68 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 34 W 8.12 3.60 0.00 3.36 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 35 Q 6.42 4.13 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 36 K 7.76 4.29 0.00 1.67 1.65 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.38 7.81 37 S 8.38 4.00 0.00 3.95 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 38 G 9.08 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.15 3.97 0.00 1.78 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 40 E 7.62 4.08 0.00 2.22 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 41 I 8.18 3.72 1.87 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 1.42 0.51 0.95 0.00 0.00 42 R 8.64 3.96 0.00 1.83 2.19 0.00 3.09 0.00 0.00 3.15 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 43 Q 8.34 4.50 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 44 K 10.13 4.65 0.00 1.91 1.72 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 45 G 7.70 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 0.00 0.00 0.00 46 R 8.62 5.15 0.00 1.66 1.85 0.00 3.24 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 47 K 8.96 4.48 0.00 1.77 1.88 0.00 1.32 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.47 7.81 48 F 8.68 5.27 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.89 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 0.63 0.00 0.00 0.96 0.00 0.00 50 L 7.91 4.44 0.00 1.51 1.52 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.49 5.00 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 52 K 7.65 4.06 0.00 1.96 1.85 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 53 P 0.00 4.25 0.00 2.18 2.39 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 54 E 8.10 3.84 0.00 2.06 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 2.35 2.34 0.00 55 A 7.42 3.88 1.33 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 0.00 0.00 56 E 8.10 3.97 0.00 2.22 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 2.28 2.36 0.00 57 R 8.64 3.91 0.00 1.79 1.90 0.00 3.06 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 58 I 6.87 4.35 1.98 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 1.69 0.71 0.90 0.00 0.00 59 K 8.47 4.67 0.00 1.89 1.81 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.39 7.81 60 L 7.47 4.95 0.00 1.63 1.63 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.42 4.23 0.00 1.92 1.75 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.22 4.13 0.00 1.69 1.84 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.46 0.00 2.22 2.21 0.00 4.04 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 64 Y 8.26 3.66 0.00 2.97 3.06 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 *65 E 8.52 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.