NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1024 8.4449 120.2064 56.0790 31.4917 175.9888 2 F 4.5011 7.5940 115.6036 55.5096 40.2710 174.1543 3 H 4.2854 9.0838 123.7926 58.0573 31.0045 175.2672 4 G 3.8822 8.1041 106.5687 45.2226 0.0000 172.9506 5 P 4.7111 0.0000 0.0000 62.9780 31.8140 177.7275 6 S 4.7734 8.5308 110.5922 57.5627 63.1714 175.0945 7 W 5.1028 7.6377 112.9171 58.7048 29.3286 174.9949 8 C 4.6108 7.8285 119.6535 57.0564 44.8074 174.3104 9 L 4.6529 7.6182 116.4931 54.4476 41.7693 176.1668 10 T 4.2357 7.6703 113.2966 60.7146 68.0696 172.5322 11 P 4.3054 0.0000 0.0000 61.5185 31.8869 176.1136 12 A 2.9199 7.2281 124.6786 51.7568 18.0269 176.9273 13 D 4.3538 8.4597 123.0522 55.3155 41.7920 176.2146 14 R 5.0749 8.0677 128.1801 53.2421 30.1621 175.9643 15 G 4.3064 7.4423 103.2300 44.6602 0.0000 170.0454 16 L 4.5043 7.0753 122.1145 56.2603 49.8100 180.5623 17 C 4.5196 7.7267 126.0447 56.4535 46.3025 172.7414 18 R 4.4756 8.1614 112.8250 55.0542 29.2432 175.2854 19 A 4.6504 8.0599 120.9829 50.0576 22.8448 177.1539 20 N 4.7666 8.6783 121.5102 52.2662 36.0414 175.1957 21 E 4.4949 8.3182 127.4756 56.7008 33.2582 175.3237 22 N 5.3442 7.9459 111.9433 53.0111 37.7488 174.3724 23 R 4.5654 8.0382 124.9299 56.1522 32.9010 176.1398 24 F 4.8855 9.3911 121.5052 56.8304 39.2576 174.8130 25 Y 4.8273 9.1047 126.6206 56.6560 40.3108 173.8716 26 Y 4.0419 8.3399 128.3904 56.9045 39.5118 174.3113 27 N 4.0004 7.6215 127.5615 52.9586 39.9178 175.5443 28 S 4.4530 8.5969 119.5779 58.9185 63.7806 174.5073 29 V 4.0180 7.4806 120.2847 64.7589 32.2371 176.6913 30 I 3.9092 7.4839 110.9588 61.0785 38.3413 175.3572 31 G 3.7534 7.5697 107.8069 44.9943 0.0000 174.2629 32 K 4.0056 7.3493 118.1456 56.2233 33.5119 177.4396 33 C 4.8043 8.6833 124.3035 56.2761 44.0051 172.7755 34 R 4.6030 8.6429 127.3944 54.4407 31.0118 174.6944 35 P 4.7386 0.0000 0.0000 62.8301 32.1131 175.6810 36 F 4.9704 9.5160 117.5572 54.8266 41.8413 174.4973 37 K 4.6977 8.6446 119.8072 55.9927 30.8091 175.5425 38 Y 4.1680 7.6468 126.7350 57.4422 39.8171 176.0938 39 S 4.2261 7.9054 122.8899 61.0166 63.9456 172.6853 40 G 3.9547 6.7549 106.7889 43.5689 0.0000 175.6543 41 C 4.1101 8.6897 118.2060 56.3458 41.6932 172.5944 42 G 4.0692 8.6436 111.4610 45.6260 0.0000 172.8947 43 G 4.3353 8.2757 104.9449 43.9310 0.0000 172.4046 44 N 4.7878 8.3278 117.5895 52.9590 40.0338 175.0140 45 E 4.6104 8.5456 117.0948 57.1108 29.9840 175.9405 46 N 4.5764 8.0141 114.6272 53.2768 39.5291 174.3489 47 N 4.4977 7.5824 115.5752 51.5399 37.7249 174.7753 48 F 4.8019 8.2226 121.8908 56.8537 40.5132 176.7305 49 T 4.6864 8.6738 116.5792 62.3596 68.4169 173.7129 50 S 4.6181 7.8604 114.1058 56.0346 66.2344 173.0200 51 K 3.8678 7.7011 117.9761 57.9537 33.0408 178.0559 52 Q 3.9038 7.6970 119.3687 58.7422 29.0926 177.5345 53 E 3.9150 7.5115 118.8534 58.8071 29.8384 177.6780 54 C 2.9731 7.6834 118.0618 59.2780 41.1458 175.5191 55 L 3.9000 7.5487 120.0347 57.7242 40.8820 179.3051 56 R 4.0477 7.8961 117.4550 58.6485 29.6572 177.0743 57 A 4.3498 7.2389 119.2116 54.7473 19.5863 177.9618 58 C 3.9292 7.8097 116.7809 58.5132 43.8259 175.0777 59 K 3.7932 7.6619 120.2700 57.3653 32.3009 175.3932 60 K 3.8327 7.5921 119.9751 55.3535 30.1064 174.8234 61 G 3.7357 8.1185 110.5895 45.1023 0.0000 170.4220 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 E 8.44 4.10 0.00 1.63 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 2.06 2.11 0.00 2 F 7.59 4.50 0.00 3.16 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 3 H 9.08 4.29 0.00 3.11 3.42 0.00 5.90 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 4 G 8.10 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.71 0.00 1.62 2.19 0.00 3.28 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 1.46 1.91 0.00 6 S 8.53 4.77 0.00 4.01 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 0.00 7 W 7.64 5.10 0.00 3.56 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 8 C 7.83 4.61 0.00 2.06 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 9 L 7.62 4.65 0.00 1.59 1.63 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.67 4.24 4.31 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 1.33 0.00 0.00 11 P 0.00 4.31 0.00 2.02 1.94 0.00 4.07 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 12 A 7.23 2.92 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.35 0.00 2.76 2.87 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 14 R 8.07 5.07 0.00 1.97 1.83 0.00 3.45 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.03 0.00 15 G 7.44 4.31 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 0.00 16 L 7.08 4.50 0.00 1.49 1.54 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.73 4.52 0.00 2.94 3.03 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 0.00 0.00 0.00 0.00 18 R 8.16 4.48 0.00 1.70 1.73 0.00 3.21 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 19 A 8.06 4.65 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 20 N 8.68 4.77 0.00 2.70 2.83 0.00 0.00 6.18 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 21 E 8.32 4.49 0.00 2.07 1.94 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 2.29 2.43 0.00 22 N 7.95 5.34 0.00 2.55 2.70 0.00 0.00 6.92 8.56 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 23 R 8.04 4.57 0.00 1.17 1.97 0.00 3.38 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 24 F 9.39 4.89 0.00 3.19 3.25 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 25 Y 9.10 4.83 0.00 2.22 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 26 Y 8.34 4.04 0.00 2.89 2.89 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 27 N 7.62 4.00 0.00 2.64 2.35 0.00 0.00 6.45 7.02 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 28 S 8.60 4.45 0.00 4.03 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 29 V 7.48 4.02 2.01 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 0.78 0.00 0.00 0.90 0.00 0.00 30 I 7.48 3.91 1.78 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 1.19 0.62 0.85 0.00 0.00 31 G 7.57 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.35 4.01 0.00 1.59 1.69 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.33 7.81 33 C 8.68 4.80 0.00 3.07 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 34 R 8.64 4.60 0.00 1.78 1.90 0.00 3.35 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 35 P 0.00 4.74 0.00 1.75 1.02 0.00 3.43 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 36 F 9.52 4.97 0.00 3.07 3.17 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 0.00 37 K 8.64 4.70 0.00 1.65 1.79 0.00 1.77 0.00 0.00 2.26 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.23 7.81 38 Y 7.65 4.17 0.00 2.23 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 39 S 7.91 4.23 0.00 3.43 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 40 G 6.75 3.95 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 0.00 0.00 0.00 41 C 8.69 4.11 0.00 3.07 3.10 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 0.00 0.00 0.00 42 G 8.64 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 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 44 N 8.33 4.79 0.00 2.76 2.88 0.00 0.00 6.80 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 45 E 8.55 4.61 0.00 1.78 1.63 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 2.11 2.18 0.00 46 N 8.01 4.58 0.00 3.02 2.81 0.00 0.00 7.77 8.17 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 47 N 7.58 4.50 0.00 2.44 2.35 0.00 0.00 7.02 7.25 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 48 F 8.22 4.80 0.00 3.56 3.02 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 49 T 8.67 4.69 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 1.30 0.00 0.00 50 S 7.86 4.62 0.00 3.82 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 51 K 7.70 3.87 0.00 1.11 1.53 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.28 1.33 7.81 52 Q 7.70 3.90 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 53 E 7.51 3.91 0.00 2.02 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 2.32 0.00 54 C 7.68 2.97 0.00 2.77 3.03 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 0.00 0.00 0.00 0.00 55 L 7.55 3.90 0.00 1.69 1.65 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.90 4.05 0.00 1.93 1.86 0.00 3.22 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 57 A 7.24 4.35 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 58 C 7.81 3.93 0.00 2.31 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 0.00 0.00 0.00 59 K 7.66 3.79 0.00 1.69 1.87 0.00 1.98 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.43 7.81 60 K 7.59 3.83 0.00 1.78 1.76 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 61 G 8.12 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 0.00 0.00 0.00