NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3553 8.2649 123.5826 52.1949 19.8418 176.8114 10 M 3.8631 8.7782 123.7637 56.2714 32.4004 176.2867 11 G 3.8869 7.7846 106.6780 43.7665 0.0000 170.6965 12 P 4.4940 0.0000 0.0000 62.2221 32.1819 175.1270 13 I 4.2525 8.1121 120.8613 61.2392 37.7673 175.3772 14 I 4.7444 9.0601 120.0146 59.3248 41.5769 174.1391 15 T 5.1173 8.4075 118.2493 62.0073 71.0799 173.6040 16 T 4.7201 9.2977 120.6162 60.2876 70.8560 172.4384 17 Q 5.2870 8.6340 124.9396 54.4034 31.9817 175.1057 18 V 4.6884 8.7216 114.6685 60.1203 36.6038 174.4995 19 T 5.0764 8.3948 112.1440 60.5514 71.4054 173.6961 20 I 4.6482 8.4896 121.9601 58.5103 41.8542 172.5318 21 P 4.8279 0.0000 0.0000 62.8368 31.8481 177.5073 22 K 3.8751 9.4716 124.7808 60.3073 32.0988 178.9633 23 D 4.4175 8.1816 118.7410 56.9636 40.8849 177.7988 24 L 4.4047 8.0408 117.1573 55.1031 42.0523 178.4278 25 A 4.1497 8.0321 122.2277 54.8876 18.2504 179.9154 26 G 3.6264 8.0804 103.9560 47.8895 0.0000 176.0409 27 S 4.2002 7.6570 116.8113 61.6186 62.9176 176.4102 28 I 3.9382 7.6066 121.1307 64.0365 37.2592 178.1587 29 I 3.9176 7.8617 120.8820 62.9623 37.3262 177.5004 30 G 4.2792 8.0320 104.2983 44.7752 0.0000 172.5999 31 K 3.9328 8.5489 120.1705 58.0952 32.4208 176.7758 32 G 3.9664 9.8447 112.4218 46.2051 0.0000 173.9643 33 G 3.9298 8.5883 105.8029 45.9850 0.0000 176.1025 34 Q 3.9809 7.7273 119.7840 58.9763 28.6305 179.1725 35 R 3.8940 7.8309 118.9467 59.3023 30.3206 178.0515 36 I 3.7225 7.8268 120.9237 64.7748 37.8669 178.3671 37 K 3.9123 7.9944 124.4336 60.1172 31.3435 180.5256 38 Q 4.2093 8.2724 120.2400 59.1400 28.9932 178.3405 39 I 3.7540 7.8132 121.0021 64.3562 37.1437 178.6571 40 R 4.0911 8.2263 119.1281 59.3484 29.6447 178.5788 41 H 4.3114 7.8228 117.2898 59.0396 30.0403 176.8952 42 E 4.0691 8.1559 119.6278 59.5302 29.4536 179.2430 43 S 4.4851 8.0481 112.8358 59.1836 63.4245 175.6133 44 G 3.8711 7.9162 108.2118 45.1470 0.0000 173.2752 45 A 4.5106 7.6778 121.2094 51.4422 19.8324 177.5032 46 S 4.4464 9.2330 117.0585 58.2262 64.3919 173.5690 47 I 4.9645 8.3408 124.5489 59.4376 40.0814 174.5025 48 K 4.5958 9.3778 129.0671 54.5118 34.8313 174.7541 49 I 4.9063 8.1886 127.3530 59.4731 39.0907 175.2544 50 D 4.6695 8.8601 127.6109 53.6573 41.6199 176.6171 51 E 4.1555 8.6106 119.7542 55.5269 30.1298 175.4537 52 P 4.5707 0.0000 0.0000 62.9946 32.3304 176.0921 53 L 4.3048 8.3085 123.4067 54.5839 43.5224 175.9314 *54 E 3.7046 8.9343 118.0506 57.1477 29.9512 176.0738 55 G 3.9618 8.7744 115.3161 45.7606 0.0000 171.5841 56 S 4.7517 7.9010 111.5754 56.3267 65.8568 172.8931 57 E 4.6576 8.5702 118.8006 56.0978 30.9751 175.2912 58 D 5.2894 7.9914 120.4951 52.8572 43.3809 175.6592 59 R 4.7030 8.6708 120.8506 54.4193 33.9031 174.6044 60 I 4.5200 8.3531 124.2288 60.6726 39.0257 174.5228 61 I 4.8478 9.1559 128.2994 59.9306 39.6450 174.5947 62 T 4.9506 9.1194 124.0544 61.8084 71.1377 173.3131 63 I 5.0200 9.2240 127.5805 59.7817 40.4289 174.7383 64 T 4.9633 9.4473 123.6229 61.3142 72.2812 174.0513 65 G 4.0363 8.1466 111.7106 46.7079 0.0000 172.1071 66 T 4.8092 7.9142 109.8646 60.5290 69.7815 175.2758 67 Q 3.9278 8.7003 122.0393 59.4550 28.9524 177.7833 68 D 4.3972 8.1184 119.3133 57.7189 40.8909 178.7956 69 Q 4.0593 7.9460 117.8171 59.0491 28.6787 179.0240 70 I 3.7560 7.9699 120.9486 64.1901 37.1469 178.2360 71 Q 3.9704 8.4696 120.9476 59.0332 28.8745 177.3988 72 N 4.3196 8.7932 118.2183 57.1261 38.9091 176.4418 73 A 4.0280 8.6750 122.0171 55.4822 18.4163 179.6647 74 Q 3.9498 8.2429 116.4478 59.0659 28.6069 178.5742 75 Y 4.1970 7.8561 117.8691 61.1553 38.0230 178.3745 76 L 4.0426 8.1927 119.9250 57.8967 41.4879 179.6118 77 L 4.0349 8.1776 118.3556 57.8059 41.6751 179.3543 78 Q 4.1619 8.0677 117.9946 59.2001 28.5092 178.6260 79 N 4.4091 8.3461 116.3488 56.1822 38.5457 177.3453 80 S 4.2702 7.7978 116.0560 61.4841 63.0569 174.5289 81 V 3.7985 7.4065 124.4257 63.0607 31.2804 175.3442 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 A 8.26 4.36 1.28 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 0.00 0.00 0.00 10 M 8.78 3.86 0.00 2.10 2.14 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 2.60 2.54 0.00 11 G 7.78 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.49 0.00 2.23 2.18 0.00 3.69 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 2.07 1.98 0.00 13 I 8.11 4.25 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 1.40 0.81 0.91 0.00 0.00 14 I 9.06 4.74 1.86 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 1.22 0.95 0.91 0.00 0.00 15 T 8.41 5.12 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 1.25 0.00 0.00 16 T 9.30 4.72 4.22 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 1.24 0.00 0.00 17 Q 8.63 5.29 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 18 V 8.72 4.69 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 0.80 0.00 0.00 0.91 0.00 0.00 19 T 8.39 5.08 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 20 I 8.49 4.65 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 1.23 1.42 0.91 0.00 0.00 21 P 0.00 4.83 0.00 2.11 1.98 0.00 3.66 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 2.11 2.10 0.00 22 K 9.47 3.88 0.00 1.92 2.08 0.00 1.33 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.49 7.81 23 D 8.18 4.42 0.00 2.66 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.40 0.00 1.86 1.69 0.92 0.90 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 25 A 8.03 4.15 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 26 G 8.08 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.66 4.20 0.00 3.98 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 28 I 7.61 3.94 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.74 0.92 0.00 0.00 29 I 7.86 3.92 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 1.46 0.79 0.91 0.00 0.00 30 G 8.03 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 0.00 0.00 0.00 0.00 31 K 8.55 3.93 0.00 1.89 1.72 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.03 7.81 32 G 9.84 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 33 G 8.59 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 34 Q 7.73 3.98 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 35 R 7.83 3.89 0.00 1.93 1.99 0.00 3.24 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 36 I 7.83 3.72 2.01 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 1.39 1.19 0.99 0.00 0.00 37 K 7.99 3.91 0.00 1.83 1.82 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.34 7.81 38 Q 8.27 4.21 0.00 2.14 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 39 I 7.81 3.75 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.03 0.93 0.00 0.00 40 R 8.23 4.09 0.00 1.88 1.99 0.00 3.12 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 41 H 7.82 4.31 0.00 3.10 3.33 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.16 4.07 0.00 2.27 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 2.34 2.19 0.00 43 S 8.05 4.49 0.00 4.28 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 44 G 7.92 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.68 4.51 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 46 S 9.23 4.45 0.00 3.75 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 4.96 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.91 0.00 0.00 48 K 9.38 4.60 0.00 1.75 1.62 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.38 7.81 49 I 8.19 4.91 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 1.34 0.79 0.91 0.00 0.00 50 D 8.86 4.67 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 4.16 0.00 1.95 1.88 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 2.31 2.24 0.00 52 P 0.00 4.57 0.00 2.07 2.05 0.00 3.76 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 1.99 2.00 0.00 53 L 8.31 4.30 0.00 1.72 1.64 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *54 E 8.93 3.70 0.00 1.75 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.92 0.00 55 G 8.77 3.96 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 56 S 7.90 4.75 0.00 3.82 3.72 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 57 E 8.57 4.66 0.00 1.90 1.91 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 2.29 2.24 0.00 58 D 7.99 5.29 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 4.70 0.00 1.72 1.77 0.00 3.11 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 60 I 8.35 4.52 2.01 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 1.34 0.67 0.91 0.00 0.00 61 I 9.16 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 1.22 0.67 0.93 0.00 0.00 62 T 9.12 4.95 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 63 I 9.22 5.02 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.90 0.00 0.00 64 T 9.45 4.96 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 65 G 8.15 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.91 4.81 4.42 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 1.25 0.00 0.00 67 Q 8.70 3.93 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 68 D 8.12 4.40 0.00 2.77 2.73 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 69 Q 7.95 4.06 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.41 0.00 70 I 7.97 3.76 1.98 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 1.40 0.85 0.88 0.00 0.00 71 Q 8.47 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.18 0.00 72 N 8.79 4.32 0.00 3.00 3.02 0.00 0.00 7.12 7.57 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 73 A 8.68 4.03 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 74 Q 8.24 3.95 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 75 Y 7.86 4.20 0.00 3.24 2.91 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 76 L 8.19 4.04 0.00 1.73 1.75 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.18 4.03 0.00 1.76 1.73 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.07 4.16 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 79 N 8.35 4.41 0.00 2.83 2.90 0.00 0.00 7.13 7.97 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 80 S 7.80 4.27 0.00 4.04 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 81 V 7.41 3.80 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.