NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 M 4.4543 8.3049 120.3524 55.2322 33.3989 174.7833 26 L 4.3893 8.3467 122.5016 51.8376 43.2308 176.1923 27 S 4.3600 9.1762 116.9830 58.5156 65.9556 174.7555 28 C 3.9664 8.6019 121.0006 62.9042 27.7557 175.9657 29 E 3.9272 8.2196 120.3817 59.3878 29.1650 178.7449 30 L 3.9996 7.8973 118.6539 58.2075 41.5087 179.1297 31 Y 3.9033 8.1242 115.2469 61.1416 38.1248 178.7587 32 R 4.1653 8.3685 119.1685 59.3351 30.1771 178.7269 33 M 4.2087 8.4746 118.7285 58.6806 32.1320 178.2062 34 S 4.2855 8.2663 113.3029 60.7739 62.9667 174.9169 35 T 4.3215 7.6210 111.1123 62.4140 68.9101 174.5149 36 Y 4.6590 8.1439 119.4846 58.0213 38.2908 177.8253 37 S 4.2941 8.3362 117.0966 60.7316 63.2179 174.9765 38 T 4.6294 7.8640 109.4830 61.0653 68.8755 173.7100 39 F 3.8502 7.8436 123.8077 57.5827 39.8932 173.5999 40 P 4.2638 0.0000 0.0000 62.3250 31.7987 175.9491 41 A 4.3192 8.1190 123.2964 52.1284 19.7304 178.0612 42 G 3.9410 8.7212 108.0575 45.1009 0.0000 174.2744 43 V 3.7759 7.4638 120.5120 62.0025 31.8533 174.6265 44 P 4.5960 0.0000 0.0000 63.8366 31.3558 176.5032 45 V 4.4632 7.2805 111.9835 59.0210 35.0991 175.7068 46 S 4.2812 8.1977 117.6692 57.8778 63.9288 175.2112 47 E 3.0324 8.2910 121.5470 58.3771 28.9207 179.7223 48 R 3.6424 7.4780 119.2746 59.4113 30.4780 178.3781 49 S 4.1437 7.6913 112.9886 60.6401 63.1929 176.3830 50 L 3.8559 7.2670 123.2169 57.6149 41.2225 179.1257 51 A 4.3763 7.5192 122.0481 54.7871 18.1525 179.6873 52 R 3.8061 7.9948 116.2455 59.2924 30.2241 177.0678 53 A 4.3643 7.9123 118.2878 52.5521 18.7930 177.9252 54 G 3.2090 8.6880 105.7757 44.7522 0.0000 172.8278 55 F 5.4528 7.9628 118.5036 55.8646 41.3647 174.6463 56 Y 4.8997 8.9674 121.0029 55.2065 40.8868 174.1583 57 Y 4.6259 7.6772 122.8907 57.8934 39.3655 176.2755 58 T 3.8182 8.7234 117.3384 62.5824 69.0912 175.8963 59 G 3.3237 5.6080 111.3511 44.6927 0.0000 173.3852 60 V 4.2597 6.7768 118.8021 62.0401 33.8908 175.2317 61 N 3.9859 8.4171 125.6686 54.9278 37.8856 174.5750 62 D 4.7421 8.8652 123.5345 53.7425 39.7001 175.1493 63 K 4.7552 8.4895 122.2054 56.8327 33.5658 176.0631 64 V 5.0429 8.6418 119.5610 59.6172 36.3547 174.2313 65 K 4.9286 8.5350 121.7243 55.1259 36.0694 174.4886 66 C 5.0347 9.5683 128.6433 58.4678 31.7437 174.1271 67 F 4.4078 9.4034 122.2984 59.9350 37.0279 175.5122 68 C 4.0276 6.4464 120.2811 60.8397 31.9436 173.9472 69 C 3.8895 7.3890 115.8069 58.8133 29.9163 174.8811 70 G 3.8293 7.7319 107.0850 44.8282 0.0000 172.8973 71 L 4.0863 7.5391 122.2518 55.6349 42.9826 175.4887 72 M 5.1456 8.6734 125.4234 53.6844 34.3840 175.2984 73 L 4.7614 8.3806 121.6618 53.3011 46.3840 175.8859 74 D 4.7155 7.9254 119.6161 54.0231 41.9586 174.7956 75 N 3.9474 8.6698 106.5499 54.8760 35.1224 171.5176 76 W 4.6348 8.9825 122.2988 55.6179 30.3391 177.6608 77 K 4.4107 9.0638 127.9222 53.6929 32.3667 173.6035 78 R 4.1226 8.4140 117.1723 58.8518 29.4597 177.9480 79 G 4.0129 9.0206 110.4998 45.1218 0.0000 173.3244 80 D 4.5304 7.8273 118.4675 54.0603 41.4396 176.8172 81 S 4.6919 8.4920 115.7944 56.0357 63.8953 172.9342 82 P 4.7422 0.0000 0.0000 66.0441 31.2183 178.6389 83 T 4.1174 8.2147 116.4959 67.4427 68.5024 176.7732 84 E 4.0998 8.3430 119.4616 61.4258 29.6676 181.3701 85 K 4.3384 8.6584 119.5693 59.1058 31.5646 178.8990 86 H 4.7388 8.4252 121.5523 59.5948 29.6960 178.0111 87 K 3.9414 8.1378 124.7370 59.5908 31.6127 181.2370 88 K 4.3954 8.1341 118.7939 59.2846 32.2540 178.9048 89 L 4.4295 7.5235 115.6203 54.7607 43.4414 176.4917 90 Y 4.5862 7.2642 115.6934 56.7594 40.9487 172.8419 91 P 4.5272 0.0000 0.0000 64.6395 32.1549 177.9435 92 S 4.3225 7.9915 111.6175 59.5233 63.1071 174.0188 93 C 4.1908 8.4549 121.5331 59.7240 31.9638 173.5018 94 R 3.8891 8.7424 128.2662 59.7033 29.8901 177.8815 95 F 4.1923 7.9970 119.8112 61.2437 39.4170 177.3063 96 V 3.5798 7.7002 116.0546 64.0484 31.2024 177.3892 97 Q 4.1295 7.5570 118.2940 58.1927 28.7919 177.6585 98 S 4.2234 7.5123 114.6329 60.3895 63.4228 173.9520 99 L 3.8983 7.2313 127.6347 55.0105 41.8843 176.0818 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 25 M 8.30 4.45 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 26 L 8.35 4.39 0.00 2.08 1.93 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.18 4.36 0.00 4.07 4.02 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 0.00 0.00 0.00 28 C 8.60 3.97 0.00 2.90 2.79 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 0.00 0.00 0.00 29 E 8.22 3.93 0.00 2.08 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 2.40 2.44 0.00 30 L 7.90 4.00 0.00 1.99 1.71 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.12 3.90 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.37 4.17 0.00 2.16 2.14 0.00 3.33 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 33 M 8.47 4.21 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 34 S 8.27 4.29 0.00 3.95 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 35 T 7.62 4.32 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 1.30 0.00 0.00 36 Y 8.14 4.66 0.00 3.03 2.71 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 37 S 8.34 4.29 0.00 4.02 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 38 T 7.86 4.63 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 1.29 0.00 0.00 39 F 7.84 3.85 0.00 2.91 3.04 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 40 P 0.00 4.26 0.00 1.77 1.82 0.00 2.23 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 41 A 8.12 4.32 1.22 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 42 G 8.72 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 0.00 0.00 0.00 43 V 7.46 3.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.65 0.00 0.00 44 P 0.00 4.60 0.00 2.31 2.13 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 45 V 7.28 4.46 1.81 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 0.76 0.00 0.00 0.55 0.00 0.00 46 S 8.20 4.28 0.00 3.88 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 47 E 8.29 3.03 0.00 1.64 1.12 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 1.97 1.50 0.00 48 R 7.48 3.64 0.00 1.75 1.79 0.00 3.12 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 49 S 7.69 4.14 0.00 4.04 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 50 L 7.27 3.86 0.00 1.12 1.46 0.38 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.52 4.38 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 52 R 7.99 3.81 0.00 1.99 2.00 0.00 3.28 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 53 A 7.91 4.36 1.61 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 0.00 0.00 54 G 8.69 3.21 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 0.00 0.00 0.00 55 F 7.96 5.45 0.00 3.29 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 56 Y 8.97 4.90 0.00 2.93 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 4.63 0.00 1.58 2.65 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 58 T 8.72 3.82 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 1.02 0.00 0.00 59 G 5.61 3.32 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 0.00 60 V 6.78 4.26 2.03 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 0.98 0.00 0.00 0.92 0.00 0.00 61 N 8.42 3.99 0.00 2.91 2.00 0.00 0.00 7.02 8.06 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 62 D 8.87 4.74 0.00 2.78 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 63 K 8.49 4.76 0.00 1.95 1.95 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.56 7.81 64 V 8.64 5.04 2.33 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 1.16 0.00 0.00 0.75 0.00 0.00 65 K 8.53 4.93 0.00 1.41 0.74 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.34 7.81 66 C 9.57 5.03 0.00 2.69 2.65 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 67 F 9.40 4.41 0.00 3.18 3.24 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 0.00 68 C 6.45 4.03 0.00 1.56 2.19 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 0.00 69 C 7.39 3.89 0.00 1.82 2.57 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 0.00 0.00 0.00 0.00 70 G 7.73 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 0.00 0.00 0.00 71 L 7.54 4.09 0.00 1.77 1.65 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.67 5.15 0.00 1.88 1.93 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 2.65 2.49 0.00 73 L 8.38 4.76 0.00 1.25 0.84 0.72 0.99 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 74 D 7.93 4.72 0.00 2.84 2.64 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 75 N 8.67 3.95 0.00 2.69 2.80 0.00 0.00 6.75 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 76 W 8.98 4.63 0.00 3.30 3.15 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 77 K 9.06 4.41 0.00 1.69 1.68 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.25 7.81 78 R 8.41 4.12 0.00 1.82 1.78 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 79 G 9.02 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 80 D 7.83 4.53 0.00 3.09 3.09 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 0.00 0.00 0.00 0.00 81 S 8.49 4.69 0.00 3.93 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 82 P 0.00 4.74 0.00 2.41 1.95 0.00 3.71 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 83 T 8.21 4.12 4.33 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 1.28 0.00 0.00 84 E 8.34 4.10 0.00 1.97 1.97 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 2.32 1.98 0.00 85 K 8.66 4.34 0.00 2.05 1.97 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.62 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.75 7.81 86 H 8.43 4.74 0.00 3.68 3.55 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.14 3.94 0.00 1.91 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.35 7.81 88 K 8.13 4.40 0.00 1.86 1.94 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.63 7.81 89 L 7.52 4.43 0.00 1.80 1.80 0.94 0.84 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 90 Y 7.26 4.59 0.00 3.06 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 91 P 0.00 4.53 0.00 2.09 2.11 0.00 3.65 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 2.02 2.26 0.00 92 S 7.99 4.32 0.00 3.79 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 93 C 8.45 4.19 0.00 3.07 2.79 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 0.00 0.00 0.00 94 R 8.74 3.89 0.00 1.85 1.97 0.00 3.49 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 95 F 8.00 4.19 0.00 3.02 2.79 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 0.00 0.00 0.00 96 V 7.70 3.58 1.78 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 0.97 0.00 0.00 0.82 0.00 0.00 97 Q 7.56 4.13 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 98 S 7.51 4.22 0.00 3.92 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 99 L 7.23 3.90 0.00 0.85 1.27 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00