NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3994 0.0000 0.0000 62.3736 32.2189 175.1747 2 K 4.1219 7.9586 118.3500 55.6673 33.9853 176.1039 3 I 3.6705 8.2619 123.9722 60.7369 39.0236 175.8275 4 K 4.5605 8.4088 123.6499 54.8860 34.4361 175.3908 5 T 4.5515 8.0145 120.8146 61.8656 70.3919 176.3932 6 V 3.8313 8.2369 124.9864 62.8667 29.4783 176.2825 7 R 4.0032 8.5086 124.4535 59.0812 30.2890 177.5425 8 G 3.7079 8.0614 104.5997 47.8976 0.0000 175.4735 9 A 4.1906 8.0354 123.3973 54.3530 18.3071 178.6212 10 A 4.3654 8.0205 116.5761 53.2021 18.5652 178.4770 11 K 4.5620 7.7189 115.7847 55.7918 32.9957 176.5653 12 R 4.5069 7.5745 113.1114 55.2618 30.5904 174.5584 13 F 5.2182 7.8968 115.9242 56.1027 42.5673 174.2888 14 K 4.6682 9.1963 124.3134 55.0354 35.6583 175.9600 15 K 4.6062 9.1998 129.2705 55.3624 33.6198 176.0907 16 T 4.2864 7.9891 114.4279 61.3391 70.0480 174.4504 17 G 3.9562 8.4426 106.8523 45.0067 0.0000 172.2153 18 K 4.0735 7.2327 119.8791 55.2460 35.8320 175.2753 19 G 3.6530 8.9281 109.6348 48.1417 0.0000 174.2136 20 G 3.9208 7.1802 107.2499 46.0061 0.0000 173.6158 21 F 4.9207 8.2811 114.3634 54.2607 41.1534 174.3205 22 K 4.0628 8.1581 115.8730 57.6294 29.9476 173.7337 23 H 5.1485 8.7707 124.1048 54.5032 30.5843 174.3122 24 K 4.5929 8.3368 120.2934 56.6125 32.1125 177.1035 25 H 4.4150 8.6120 124.1619 55.7055 30.9720 173.0222 26 A 4.0668 8.3815 127.7907 53.2174 18.6719 175.4036 27 N 4.3101 9.3302 113.9128 54.3902 36.6129 175.1517 28 L 4.6035 7.2712 118.3577 52.3643 42.8832 174.2205 29 R 5.2949 7.6021 130.4398 56.4157 30.9193 175.7123 30 H 4.4114 8.5880 113.7891 56.2473 27.9257 176.5527 31 I 4.1041 8.8826 122.8805 61.9169 38.7133 176.1628 32 L 4.6523 8.2025 120.2544 55.1388 45.6398 177.7259 33 T 3.9615 8.0612 114.4237 64.8364 67.4312 175.4213 34 K 4.1670 7.8989 118.2417 58.3593 33.2815 177.2572 35 K 3.9876 7.3206 119.0847 56.0628 32.5641 177.3701 36 A 4.2190 8.4947 125.9381 51.9628 20.4611 178.2876 37 T 3.8484 8.4619 113.1078 65.3414 68.6409 176.0487 38 K 3.9266 8.1609 122.0527 58.7867 31.9931 178.0979 39 R 3.8943 7.9179 120.9972 59.2833 30.2906 177.9509 40 K 4.3045 7.8747 116.8946 58.0358 32.6244 178.7155 41 R 3.9528 7.9553 118.3498 59.0241 30.1336 176.8999 42 H 4.4597 7.8470 113.5350 56.9530 29.0830 175.7888 43 L 4.3748 7.6253 117.9032 54.6317 41.9632 177.7716 44 R 4.1047 7.9058 118.9965 58.2247 30.4813 175.5917 45 P 4.3196 0.0000 0.0000 62.5698 31.7051 175.3838 46 K 4.5371 8.4242 119.2029 55.4903 34.4999 175.4770 47 A 4.6444 8.4183 128.8991 51.0724 22.0477 174.3424 48 M 5.0912 8.2519 112.9529 53.4494 34.3721 175.9997 49 V 3.9321 8.6597 111.9180 61.3718 32.4713 176.3302 50 S 4.3955 8.3610 115.7188 56.9304 63.5426 177.8041 51 K 3.4896 8.4666 125.0979 56.5011 34.3265 176.2493 52 G 3.9618 8.3321 105.0251 48.5710 0.0000 174.7474 53 D 4.5740 8.6262 122.0610 56.2266 40.8601 178.3276 54 L 3.9785 7.9785 121.4723 58.3888 41.8951 179.2179 55 G 3.8657 7.3644 103.3164 46.9004 0.0000 174.3406 56 L 4.3057 7.7430 120.9462 56.6404 42.2236 178.5265 57 V 3.4417 7.3026 117.5974 66.4983 31.1259 178.4708 58 I 3.8875 7.7469 117.4393 63.4482 37.0461 176.9627 59 A 4.4616 8.0968 119.8318 52.8577 19.5081 178.3889 60 C 4.3798 8.4702 116.6060 61.2113 29.3017 173.2950 61 L 5.2023 7.2095 118.9143 53.4993 40.1902 173.5797 62 P 4.3522 0.0000 0.0000 66.6031 31.5206 177.5932 63 Y 3.9594 7.7043 114.9607 59.7575 38.5477 175.4112 64 A 4.2734 8.2067 127.5930 52.9960 18.3391 177.2520 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 1 P 0.00 4.40 0.00 2.07 2.11 0.00 3.65 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 1.93 2.09 0.00 2 K 7.96 4.12 0.00 2.07 1.91 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 3 I 8.26 3.67 2.22 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 1.04 0.00 0.00 4 K 8.41 4.56 0.00 1.68 1.65 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 5 T 8.01 4.55 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 1.31 0.00 0.00 6 V 8.24 3.83 2.23 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 1.06 0.00 0.00 0.94 0.00 0.00 7 R 8.51 4.00 0.00 1.81 1.97 0.00 3.34 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 8 G 8.06 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 0.00 0.00 0.00 9 A 8.04 4.19 1.51 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 10 A 8.02 4.37 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 11 K 7.72 4.56 0.00 1.84 1.78 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.54 7.81 12 R 7.57 4.51 0.00 1.34 1.68 0.00 3.02 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.30 0.00 13 F 7.90 5.22 0.00 2.92 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 14 K 9.20 4.67 0.00 1.87 1.71 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.59 7.81 15 K 9.20 4.61 0.00 2.00 1.77 0.00 1.56 0.00 0.00 0.79 0.00 0.00 2.67 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 0.85 7.81 16 T 7.99 4.29 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 1.22 0.00 0.00 17 G 8.44 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 18 K 7.23 4.07 0.00 1.82 1.56 0.00 1.48 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 1.28 7.81 19 G 8.93 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 3.92 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 0.00 0.00 0.00 21 F 8.28 4.92 0.00 3.17 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 22 K 8.16 4.06 0.00 1.85 1.84 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.49 7.81 23 H 8.77 5.15 0.00 3.21 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.34 4.59 0.00 1.73 1.68 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.36 7.81 25 H 8.61 4.41 0.00 3.18 3.23 0.00 5.72 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 26 A 8.38 4.07 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 27 N 9.33 4.31 0.00 2.90 2.98 0.00 0.00 6.66 7.78 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 28 L 7.27 4.60 0.00 1.61 1.52 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.60 5.29 0.00 1.93 2.01 0.00 3.03 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 30 H 8.59 4.41 0.00 3.16 3.07 0.00 5.71 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.88 4.10 1.88 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 0.47 0.92 0.00 0.00 32 L 8.20 4.65 0.00 1.65 1.61 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.06 3.96 4.25 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 1.22 0.00 0.00 34 K 7.90 4.17 0.00 1.91 1.92 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.46 7.81 35 K 7.32 3.99 0.00 2.01 1.82 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.55 7.81 36 A 8.49 4.22 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 37 T 8.46 3.85 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 38 K 8.16 3.93 0.00 1.86 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.55 7.81 39 R 7.92 3.89 0.00 1.85 2.14 0.00 3.28 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 40 K 7.87 4.30 0.00 1.86 1.83 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.69 7.81 41 R 7.96 3.95 0.00 1.91 2.09 0.00 3.27 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 42 H 7.85 4.46 0.00 3.10 3.33 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.63 4.37 0.00 1.75 1.69 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.91 4.10 0.00 1.77 1.95 0.00 3.20 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 45 P 0.00 4.32 0.00 2.15 2.03 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 46 K 8.42 4.54 0.00 2.01 1.81 0.00 1.46 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.29 1.46 7.81 47 A 8.42 4.64 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 48 M 8.25 5.09 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 49 V 8.66 3.93 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 0.86 0.00 0.00 1.07 0.00 0.00 50 S 8.36 4.40 0.00 3.97 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 51 K 8.47 3.49 0.00 1.93 1.77 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.48 7.81 52 G 8.33 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 53 D 8.63 4.57 0.00 2.67 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 54 L 7.98 3.98 0.00 1.81 1.93 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.36 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 56 L 7.74 4.31 0.00 1.89 1.61 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.30 3.44 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.27 0.00 0.00 58 I 7.75 3.89 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.00 0.95 0.00 0.00 59 A 8.10 4.46 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 60 C 8.47 4.38 0.00 2.99 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 61 L 7.21 5.20 0.00 1.68 1.62 0.61 0.50 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 62 P 0.00 4.35 0.00 2.09 2.14 0.00 3.78 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 2.09 2.13 0.00 63 Y 7.70 3.96 0.00 2.97 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 64 A 8.21 4.27 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