NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3878 8.1133 119.6522 56.2426 31.8789 174.0365 2 I 4.4016 7.9866 123.9734 59.4359 41.8033 173.9210 3 C 4.8364 8.9794 120.4438 55.6993 45.4792 173.6653 4 F 4.7421 8.6380 123.1500 56.9688 39.3214 175.1098 5 N 5.1524 8.7852 120.9643 53.1302 36.3136 173.4079 6 H 5.0171 7.3696 117.0760 56.8562 30.3312 172.2125 7 Q 4.8911 9.5501 116.8795 57.4497 32.4450 172.4136 8 S 3.9373 10.1470 122.4165 58.0376 61.5726 168.8430 9 S 4.5249 8.0390 115.1968 58.5576 67.7519 174.4026 10 Q 4.0517 8.0619 118.5571 55.3917 29.0302 174.7931 11 P 4.1244 0.0000 0.0000 62.9288 31.6466 176.6494 12 Q 3.5076 8.5522 121.6648 56.3469 29.2737 175.6429 13 T 4.9678 8.0846 110.3466 60.0594 72.5238 172.4775 14 T 4.9828 8.5092 112.3213 59.7510 71.7594 172.8615 15 K 4.5642 8.6902 125.3258 54.7445 35.3764 174.9822 16 T 4.4737 8.6447 124.3740 63.2879 69.0638 175.0463 17 C 3.7566 8.1826 122.4371 57.2728 36.4244 174.4088 18 S 4.4509 8.5076 118.1958 56.6506 62.9956 171.1934 19 P 4.3610 0.0000 0.0000 64.3940 31.6168 175.7569 20 G 4.3422 9.0365 113.9194 45.7004 0.0000 173.8256 21 E 4.2388 7.6079 119.8190 55.9531 30.1218 177.0851 22 S 4.5161 8.4620 117.6056 59.4301 66.6078 173.4864 23 S 4.9303 7.8551 117.2180 57.0928 65.6348 172.7389 24 C 5.5085 8.6840 116.0666 55.7321 39.2859 173.2492 25 Y 5.4247 9.1501 121.6032 55.4104 41.5892 174.0986 26 H 4.9558 9.3585 120.4127 54.6299 33.1305 172.2481 27 K 4.9559 9.5389 129.4691 55.2059 33.4908 174.1723 28 Q 5.2498 8.4594 129.6814 54.0066 31.6116 174.2417 29 W 4.7463 8.8046 120.5215 56.0958 31.6149 173.4226 30 S 5.0692 8.9351 116.5564 56.5691 63.8657 173.4376 31 D 4.5669 8.4363 126.8089 53.8661 43.5528 177.6813 32 F 4.5666 9.6687 111.3120 58.4580 38.3516 177.2681 33 R 3.4855 7.1807 119.4652 57.3613 30.9433 175.5385 34 G 3.5605 7.7936 103.6794 44.1895 0.0000 172.4299 35 T 3.8655 8.3395 120.6295 64.3216 69.0009 173.8999 36 I 4.0762 8.2648 128.5340 59.4920 39.7832 175.4608 37 I 4.9181 7.7103 125.7251 60.0079 40.7826 174.2469 38 E 5.0998 9.5893 127.6213 55.3833 32.1695 175.2509 39 R 4.3130 7.6987 116.5500 55.0170 32.5886 174.1118 40 G 4.0020 6.0456 107.4502 44.3310 0.0000 170.7288 41 C 5.4355 7.5401 119.6449 55.8513 44.7295 171.9995 42 G 3.7989 8.4584 111.7467 45.9998 0.0000 174.6332 43 C 4.9793 8.0275 108.8543 55.7165 45.0404 171.6663 44 P 4.3641 0.0000 0.0000 61.9879 32.4229 176.5706 45 T 4.2862 7.8709 108.8835 61.0469 69.9616 173.3560 46 V 4.3100 7.5432 113.8677 60.1231 35.9788 174.4798 47 K 4.3412 7.9068 119.0890 54.3379 33.2545 174.8276 48 P 4.3019 0.0000 0.0000 64.2745 31.7259 175.0444 49 G 4.2069 9.3568 115.1309 46.2082 0.0000 174.4013 50 I 3.8178 7.0185 119.9284 61.3451 38.0920 175.7692 51 K 4.4427 8.7769 125.0995 55.0226 33.6968 175.1889 52 L 5.0806 8.5859 127.8696 53.5313 43.9085 175.6100 53 S 4.7793 9.2452 124.0132 57.2872 64.7996 172.4803 54 C 5.6038 8.8453 122.4051 55.3498 36.6952 174.3987 55 C 5.1530 9.2602 120.0101 54.7687 44.3400 174.2814 56 E 4.8132 8.7042 121.7234 57.0256 29.7379 175.2676 57 S 4.8080 7.7373 112.8436 55.9760 65.8018 172.2984 58 E 4.2078 8.5752 118.7567 56.4488 30.2907 177.7453 59 V 3.0324 8.0359 106.8872 63.2572 28.3847 171.4014 60 C 5.0269 8.6871 117.2714 55.2278 43.0189 174.8251 61 N 4.7686 8.3176 114.3629 52.6995 39.8327 174.0516 62 N 3.9396 8.4846 121.2783 53.1826 36.9354 174.6230 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 R 8.11 4.39 0.00 1.74 1.93 0.00 3.33 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 2 I 7.99 4.40 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.56 0.00 0.00 3 C 8.98 4.84 0.00 2.72 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 4 F 8.64 4.74 0.00 2.88 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 5 N 8.79 5.15 0.00 2.70 2.84 0.00 0.00 6.80 7.36 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 6 H 7.37 5.02 0.00 3.36 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.55 4.89 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 5.72 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 8 S 10.15 3.94 0.00 3.96 3.79 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 9 S 8.04 4.52 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 4.05 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 11 P 0.00 4.12 0.00 2.01 2.01 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 12 Q 8.55 3.51 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 13 T 8.08 4.97 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 T 8.51 4.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 15 K 8.69 4.56 0.00 1.78 1.62 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.37 7.81 16 T 8.64 4.47 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 C 8.18 3.76 0.00 2.98 3.27 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 0.00 18 S 8.51 4.45 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.08 2.00 0.00 3.77 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 2.04 2.11 0.00 20 G 9.04 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.61 4.24 0.00 1.97 1.93 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 2.45 2.36 0.00 22 S 8.46 4.52 0.00 3.85 3.79 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 23 S 7.86 4.93 0.00 3.92 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 24 C 8.68 5.51 0.00 3.05 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 25 Y 9.15 5.42 0.00 3.03 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.36 4.96 0.00 3.20 3.30 0.00 5.57 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.54 4.96 0.00 2.21 2.15 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.54 1.42 7.81 28 Q 8.46 5.25 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 29 W 8.80 4.75 0.00 3.30 3.22 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 30 S 8.94 5.07 0.00 3.88 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 31 D 8.44 4.57 0.00 2.88 2.24 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 32 F 9.67 4.57 0.00 3.22 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 33 R 7.18 3.49 0.00 1.40 1.60 0.00 3.05 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 34 G 7.79 3.56 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 0.00 0.00 0.00 35 T 8.34 3.87 4.14 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 1.13 0.00 0.00 36 I 8.26 4.08 0.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.32 -1.01 0.00 0.00 37 I 7.71 4.92 1.80 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 1.42 1.04 0.99 0.00 0.00 38 E 9.59 5.10 0.00 2.34 2.24 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 2.44 2.45 0.00 39 R 7.70 4.31 0.00 1.68 1.74 0.00 2.79 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 40 G 6.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 7.54 5.44 0.00 2.96 3.05 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 42 G 8.46 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 0.00 0.00 0.00 43 C 8.03 4.98 0.00 2.93 2.95 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 44 P 0.00 4.36 0.00 2.01 1.90 0.00 3.16 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.48 0.00 45 T 7.87 4.29 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 46 V 7.54 4.31 1.87 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 0.70 0.00 0.00 0.85 0.00 0.00 47 K 7.91 4.34 0.00 1.61 1.60 0.00 1.47 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.26 7.81 48 P 0.00 4.30 0.00 2.02 2.00 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 49 G 9.36 4.21 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 50 I 7.02 3.82 1.72 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.39 0.58 0.00 0.00 51 K 8.78 4.44 0.00 1.98 1.77 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 52 L 8.59 5.08 0.00 1.61 1.56 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.25 4.78 0.00 3.87 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 54 C 8.85 5.60 0.00 2.88 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 55 C 9.26 5.15 0.00 2.83 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 56 E 8.70 4.81 0.00 1.96 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 2.28 2.30 0.00 57 S 7.74 4.81 0.00 3.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 4.21 0.00 2.06 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 2.25 2.31 0.00 59 V 8.04 3.03 2.25 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 0.30 0.00 0.00 0.93 0.00 0.00 60 C 8.69 5.03 0.00 3.00 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 61 N 8.32 4.77 0.00 2.59 2.86 0.00 0.00 7.06 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.48 3.94 0.00 2.37 1.47 0.00 0.00 5.87 7.56 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