NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 F 5.0728 8.3249 119.4144 57.5943 40.3998 174.0507 1 S 4.6889 8.4102 118.7564 56.0202 64.4222 172.1044 2 P 4.4615 0.0000 0.0000 62.6471 32.5402 176.7473 3 L 4.2631 8.4226 121.4324 56.4626 42.1411 176.9002 4 S 4.6478 7.6548 111.6705 56.8576 65.3072 173.2604 5 S 4.6759 8.5247 118.5570 58.0975 63.3318 174.2315 6 Q 4.2963 7.7614 120.4613 55.2895 29.2826 175.8918 7 S 4.4829 8.2843 114.7922 58.3017 64.0075 173.5762 8 S 4.6511 8.1612 115.6499 56.4245 66.1048 173.8938 9 A 4.3322 8.6026 127.0666 52.0277 18.9442 177.6298 10 C 5.0683 8.6531 119.5158 55.1191 43.8322 173.9635 11 C 4.9446 7.9774 117.8012 55.3112 42.4599 174.2404 12 F 4.4714 8.4277 118.9224 57.0138 40.5881 174.7239 13 A 4.4202 7.4712 121.4732 50.9119 21.9077 174.7372 14 Y 5.1450 8.0197 117.0348 55.6921 40.4938 176.1021 15 I 3.8150 8.7217 125.1100 61.2988 38.7177 175.8000 16 A 4.2152 8.8591 130.5667 54.4130 18.6253 177.5543 17 R 4.4404 7.4602 113.5718 53.2250 32.5945 173.5672 18 P 2.0000 0.0000 0.0000 61.9931 31.6078 176.4701 19 L 4.2237 7.3067 121.4523 53.3268 42.7056 174.9996 20 P 4.3581 0.0000 0.0000 62.2763 31.9972 177.5964 21 R 3.2954 8.8297 123.6357 59.2911 29.9600 178.2009 22 A 3.9989 7.7014 118.8683 54.8637 18.6805 177.6175 23 H 4.6062 8.2635 112.2565 56.6467 29.2711 174.8040 24 I 4.8933 7.4341 121.4679 59.6283 38.3531 175.3697 25 K 4.5942 8.9570 123.7720 57.5382 34.9272 175.2012 26 E 5.0234 8.1063 120.0092 55.5795 33.5815 172.7520 27 Y 5.3969 8.6160 119.1706 56.1536 41.2610 173.9596 28 F 4.4052 8.2005 113.8754 55.8246 41.6724 172.6663 29 Y 4.9187 8.5668 118.3969 57.3603 38.8166 175.7621 30 T 4.4278 8.5171 114.1667 61.1826 70.1763 174.3808 31 S 4.1763 8.9285 117.2085 58.7224 62.7558 175.5364 32 G 3.8280 8.5940 114.8373 47.4349 0.0000 174.7427 33 K 4.1359 8.0984 119.3810 58.9822 32.3539 177.2512 34 C 4.5810 7.8811 115.9968 56.5084 40.6033 174.1284 35 S 4.1144 8.6292 116.7161 60.4064 63.0206 174.2792 36 N 5.0864 7.6513 116.9150 50.2923 41.3725 172.2894 37 P 4.4812 0.0000 0.0000 62.9530 32.6677 174.9950 38 A 4.4728 7.8533 119.1079 51.5639 22.6525 174.9350 39 V 4.4474 8.0955 119.1124 60.8940 34.5538 174.4854 40 V 4.4474 7.8644 127.4032 60.9719 33.7366 174.0118 41 F 5.3580 9.0923 126.8981 55.8873 41.5347 174.6888 42 V 4.8434 8.9496 124.4669 61.7273 33.1489 175.6648 43 T 4.9326 8.7650 118.7051 60.7980 70.3329 176.2068 44 R 4.2235 8.6229 120.9531 58.7509 30.1060 178.1142 45 K 4.3177 8.0301 115.4119 55.8912 32.1204 176.2542 46 N 4.3990 8.4691 115.2527 54.2808 36.5747 174.6020 47 R 4.3075 8.0595 117.2039 56.1890 31.8190 176.0464 48 Q 4.9696 8.7030 121.0072 54.5469 30.3026 174.7276 49 V 4.3455 8.7079 125.4886 61.3949 33.5081 174.3172 50 C 5.1011 8.8633 125.2391 56.8488 42.5351 172.4480 51 A 5.1391 9.0201 124.0072 50.0015 23.2689 174.8404 52 N 3.3406 8.1441 118.2476 51.8999 39.1532 174.4999 53 P 4.1150 0.0000 0.0000 65.2355 31.5525 177.2107 54 E 4.1438 8.1574 116.0293 57.1234 30.1680 177.5176 55 K 4.2082 7.4302 119.7207 55.2292 34.1974 177.6403 56 K 3.8963 8.5132 124.0522 59.4435 32.2112 179.2690 57 W 4.1570 8.1483 116.5360 59.3978 27.8682 178.3634 58 V 2.7727 6.4306 118.4320 65.7027 30.9852 178.1929 59 R 3.8430 7.5659 117.2348 59.0826 29.7160 178.9795 60 E 4.0481 8.3766 118.7577 59.5594 29.3873 178.9125 61 Y 4.1781 8.5491 117.2562 60.9862 37.7968 178.5118 62 I 3.3068 8.0071 120.9128 64.2817 36.9443 177.9726 63 N 4.2584 8.2378 117.8913 56.6709 38.5296 176.7906 64 S 4.0971 8.1810 113.9376 61.3295 62.7325 175.8436 65 L 4.1726 8.1989 121.8842 57.9827 41.2143 179.3565 66 E 4.1176 8.3442 117.3300 59.0550 29.4247 178.3193 67 M 4.4388 7.4777 115.9976 55.2212 32.4493 176.3082 68 S 4.3738 8.0075 121.4718 58.7178 63.1645 173.9347 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 0 F 8.32 5.07 0.00 3.08 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 1 S 8.41 4.69 0.00 3.97 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 2 P 0.00 4.46 0.00 2.06 1.99 0.00 3.70 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 2.04 2.11 0.00 3 L 8.42 4.26 0.00 1.64 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.65 4.65 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.52 4.68 0.00 4.00 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 6 Q 7.76 4.30 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 7 S 8.28 4.48 0.00 4.00 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 8 S 8.16 4.65 0.00 3.85 3.78 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 9 A 8.60 4.33 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.65 5.07 0.00 2.89 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 11 C 7.98 4.94 0.00 2.76 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 12 F 8.43 4.47 0.00 3.00 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 13 A 7.47 4.42 1.19 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 0.00 0.00 14 Y 8.02 5.14 0.00 3.03 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 15 I 8.72 3.82 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 1.34 0.00 0.00 16 A 8.86 4.22 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 17 R 7.46 4.44 0.00 1.64 1.66 0.00 3.17 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.40 0.00 18 P 0.00 2.00 0.00 1.44 0.60 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 19 L 7.31 4.22 0.00 1.72 1.65 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.36 0.00 2.18 1.94 0.00 3.69 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 2.23 2.07 0.00 21 R 8.83 3.30 0.00 1.25 1.69 0.00 2.55 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 22 A 7.70 4.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.26 4.61 0.00 3.36 3.33 0.00 5.60 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 24 I 7.43 4.89 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 1.11 0.00 0.00 25 K 8.96 4.59 0.00 1.75 1.93 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.41 7.81 26 E 8.11 5.02 0.00 2.14 1.90 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 2.32 2.42 0.00 27 Y 8.62 5.40 0.00 2.69 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 28 F 8.20 4.41 0.00 2.98 2.86 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 29 Y 8.57 4.92 0.00 2.94 2.93 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 30 T 8.52 4.43 4.39 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 1.25 0.00 0.00 31 S 8.93 4.18 0.00 3.90 3.82 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 0.00 0.00 0.00 32 G 8.59 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 33 K 8.10 4.14 0.00 1.77 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.42 7.81 34 C 7.88 4.58 0.00 3.03 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 35 S 8.63 4.11 0.00 4.04 4.09 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 36 N 7.65 5.09 0.00 2.66 2.72 0.00 0.00 6.94 8.02 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 37 P 0.00 4.48 0.00 2.19 2.05 0.00 3.87 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 2.06 1.99 0.00 38 A 7.85 4.47 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 39 V 8.10 4.45 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.57 0.00 0.00 40 V 7.86 4.45 0.67 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 0.62 0.00 0.00 0.57 0.00 0.00 41 F 9.09 5.36 0.00 3.17 2.97 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 42 V 8.95 4.84 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 1.16 0.00 0.00 1.12 0.00 0.00 43 T 8.76 4.93 4.36 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 1.30 0.00 0.00 44 R 8.62 4.22 0.00 1.89 2.07 0.00 3.18 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 45 K 8.03 4.32 0.00 1.75 1.84 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 46 N 8.47 4.40 0.00 2.87 2.98 0.00 0.00 6.94 7.64 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 47 R 8.06 4.31 0.00 1.82 1.89 0.00 3.10 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 48 Q 8.70 4.97 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 49 V 8.71 4.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 50 C 8.86 5.10 0.00 3.07 3.13 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 0.00 0.00 0.00 51 A 9.02 5.14 1.06 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 0.00 0.00 52 N 8.14 3.34 0.00 1.93 2.31 0.00 0.00 6.96 7.71 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 53 P 0.00 4.11 0.00 1.99 2.10 0.00 3.40 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 54 E 8.16 4.14 0.00 1.95 1.92 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 2.30 2.36 0.00 55 K 7.43 4.21 0.00 1.46 1.52 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.60 7.81 56 K 8.51 3.90 0.00 1.82 1.84 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.37 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 57 W 8.15 4.16 0.00 3.26 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 58 V 6.43 2.77 1.67 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 0.67 0.00 0.00 -0.77 0.00 0.00 59 R 7.57 3.84 0.00 1.86 1.92 0.00 3.13 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 60 E 8.38 4.05 0.00 2.34 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 2.37 2.54 0.00 61 Y 8.55 4.18 0.00 3.12 2.82 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 0.00 0.00 0.00 62 I 8.01 3.31 1.77 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.42 0.26 0.00 0.00 63 N 8.24 4.26 0.00 2.83 2.95 0.00 0.00 6.91 7.83 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 64 S 8.18 4.10 0.00 3.86 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 65 L 8.20 4.17 0.00 1.97 1.89 1.28 1.30 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 66 E 8.34 4.12 0.00 2.13 2.10 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 2.60 2.61 0.00 67 M 7.48 4.44 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 68 S 8.01 4.37 0.00 4.03 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00