NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.6027 8.0333 115.5045 62.2799 69.0999 172.2724 2 M 4.6292 9.2454 129.4821 54.0638 33.8935 173.3603 3 C 5.1508 9.8352 121.1042 54.9778 45.2465 173.1832 4 Y 4.7910 8.3301 119.5111 58.6899 38.6365 175.4732 5 S 4.7630 8.8504 116.1826 57.3371 66.4864 172.6012 6 H 4.8333 8.6999 120.3096 55.9219 32.0434 174.4116 7 T 4.7581 8.0804 111.0375 60.5724 71.1386 175.2709 8 T 4.1683 8.8221 109.9236 63.9071 69.1170 174.9659 9 T 4.3333 7.2169 108.4186 62.5820 70.2712 174.8787 10 S 4.3119 8.2787 115.8004 57.8992 63.4013 173.7970 11 R 4.1191 8.1756 119.0449 55.5523 30.5988 176.4325 12 A 4.6752 8.4346 123.6173 51.8187 19.0344 176.5832 13 I 4.6681 8.8102 115.5996 59.3411 41.8346 173.8635 14 L 5.0050 8.4735 124.0358 53.5780 43.3063 175.2737 15 T 4.8591 8.8250 116.1831 59.8135 72.5722 172.5739 16 N 5.0019 8.5857 119.1381 51.9479 39.8461 175.8936 17 C 4.8698 8.4147 117.1648 53.6887 40.7588 170.4995 18 P 4.5009 0.0000 0.0000 63.8946 31.4611 177.2280 19 G 3.9688 9.0395 110.8905 45.4601 0.0000 172.6457 20 E 4.8058 7.9960 118.4487 54.6780 32.2895 175.9021 21 T 4.4749 8.3504 109.1286 61.4376 70.9111 173.4031 22 N 5.3237 7.9082 119.1487 51.7883 42.1194 174.1115 23 C 5.5494 9.3475 117.9989 55.4027 40.1498 172.6998 24 Y 5.4870 8.6818 118.7220 55.2213 41.8429 174.2677 25 K 4.8279 9.1366 121.0974 54.8944 35.5852 174.9090 26 K 5.0331 9.2501 127.6988 55.4955 33.9993 176.1158 27 S 5.1588 9.1605 119.6926 56.5124 67.8581 173.4238 28 R 4.2236 8.9726 121.8877 56.3506 29.6307 177.1402 29 R 4.0227 8.9387 125.9150 59.0560 30.6261 176.5545 30 H 4.8677 7.8466 114.1114 53.3429 30.4025 173.0559 31 P 4.5375 0.0000 0.0000 62.3828 31.7553 173.7550 32 P 3.7763 0.0000 0.0000 61.0973 31.6434 174.9304 33 K 4.3495 8.5151 125.0519 55.3414 32.6273 174.8707 34 M 4.7953 7.9604 122.3280 54.0289 34.7223 173.7324 35 V 4.2449 8.3326 120.2372 63.1090 31.4017 175.5714 36 L 4.5659 9.1536 127.5942 55.6451 43.6456 176.3722 37 G 4.1179 7.6498 103.0833 45.7284 0.0000 172.7163 38 R 4.6811 7.9704 119.5747 54.4412 35.1253 175.1562 39 G 3.9644 6.5217 106.9557 46.1806 0.0000 171.6053 40 C 4.7271 8.8958 117.2407 58.0340 41.1436 175.3532 41 G 3.7815 9.8124 109.9859 44.9749 0.0000 172.7767 42 C 4.7999 8.0791 115.6576 53.9379 43.7512 172.2397 43 P 4.4720 0.0000 0.0000 61.7415 32.0712 176.6932 44 T 4.2525 7.9826 109.1441 60.7772 69.9169 174.2781 45 V 4.2437 7.8908 122.5979 60.7233 34.2695 175.0801 46 A 4.3210 8.1562 128.5453 50.7013 19.3398 175.0864 47 P 4.4564 0.0000 0.0000 63.9525 31.8536 177.7565 48 G 3.9499 8.9580 108.8221 45.2024 0.0000 172.5941 49 I 4.8240 6.8806 119.9521 59.2995 39.4111 175.0835 50 K 4.3048 8.8769 128.6997 55.3465 33.4801 174.7684 51 L 5.1223 8.5236 129.6780 53.4503 43.8741 174.8611 52 N 5.1286 9.4051 124.0211 51.6029 41.6905 172.7928 53 C 5.6420 8.9062 120.5101 55.2817 39.4958 172.0774 54 C 5.2819 9.3792 117.6534 53.9069 45.3020 174.4169 55 T 4.7267 8.8913 105.9015 60.3881 69.5094 173.6322 56 T 4.6387 7.4264 112.2726 59.4488 71.3939 173.2875 57 D 4.6350 8.5540 121.8713 56.2637 40.9500 176.6441 58 K 3.7806 9.4206 121.4247 57.4954 30.2843 174.9754 59 C 4.2882 8.1913 114.3150 57.2318 41.9056 173.5418 60 N 4.7371 7.5401 117.8244 52.8380 37.3629 174.6602 61 Y 4.1380 7.8283 122.5928 58.0486 38.2722 175.0853 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 T 8.03 4.60 4.23 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 0.00 0.00 0.00 1.26 0.00 0.00 2 M 9.25 4.63 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 3 C 9.84 5.15 0.00 2.69 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 4 Y 8.33 4.79 0.00 2.91 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 5 S 8.85 4.76 0.00 3.79 3.64 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 6 H 8.70 4.83 0.00 3.40 3.47 0.00 5.50 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.08 4.76 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 8 T 8.82 4.17 4.27 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 1.27 0.00 0.00 9 T 7.22 4.33 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 10 S 8.28 4.31 0.00 3.97 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 11 R 8.18 4.12 0.00 1.82 1.90 0.00 3.27 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 1.63 1.69 0.00 12 A 8.43 4.68 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 13 I 8.81 4.67 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.09 0.94 0.00 0.00 14 L 8.47 5.01 0.00 1.64 1.52 0.78 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.82 4.86 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 1.20 0.00 0.00 16 N 8.59 5.00 0.00 2.72 2.82 0.00 0.00 5.82 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 17 C 8.41 4.87 0.00 2.91 3.01 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 18 P 0.00 4.50 0.00 2.04 2.01 0.00 3.72 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 2.03 2.09 0.00 19 G 9.04 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 0.00 0.00 0.00 20 E 8.00 4.81 0.00 1.96 1.86 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 2.24 2.37 0.00 21 T 8.35 4.47 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 1.21 0.00 0.00 22 N 7.91 5.32 0.00 2.76 2.78 0.00 0.00 6.94 7.66 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 23 C 9.35 5.55 0.00 2.77 3.07 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 24 Y 8.68 5.49 0.00 2.88 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 25 K 9.14 4.83 0.00 1.77 1.66 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 26 K 9.25 5.03 0.00 1.83 1.74 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.34 1.52 7.81 27 S 9.16 5.16 0.00 3.68 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.97 4.22 0.00 1.86 2.16 0.00 3.18 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 29 R 8.94 4.02 0.00 1.82 1.85 0.00 3.19 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 30 H 7.85 4.87 0.00 3.20 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.54 0.00 2.05 2.05 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 32 P 0.00 3.78 0.00 2.21 2.03 0.00 3.76 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 1.99 2.02 0.00 33 K 8.52 4.35 0.00 1.74 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.65 7.81 34 M 7.96 4.80 0.00 2.09 2.11 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 2.57 2.70 0.00 35 V 8.33 4.24 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 0.89 0.00 0.00 0.94 0.00 0.00 36 L 9.15 4.57 0.00 1.63 1.72 0.94 0.79 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 37 G 7.65 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 0.00 0.00 0.00 0.00 38 R 7.97 4.68 0.00 1.44 1.79 0.00 3.14 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 39 G 6.52 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 40 C 8.90 4.73 0.00 2.93 3.06 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 41 G 9.81 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 0.00 0.00 0.00 42 C 8.08 4.80 0.00 2.90 2.94 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 43 P 0.00 4.47 0.00 1.92 1.81 0.00 3.12 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.21 0.00 44 T 7.98 4.25 4.20 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 1.18 0.00 0.00 45 V 7.89 4.24 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 0.84 0.00 0.00 0.84 0.00 0.00 46 A 8.16 4.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.05 2.00 0.00 3.69 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 2.02 2.07 0.00 48 G 8.96 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 49 I 6.88 4.82 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.93 0.90 0.00 0.00 50 K 8.88 4.30 0.00 1.85 1.67 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.41 7.81 51 L 8.52 5.12 0.00 1.65 1.51 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.41 5.13 0.00 2.64 2.65 0.00 0.00 6.35 7.51 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 53 C 8.91 5.64 0.00 2.83 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 54 C 9.38 5.28 0.00 2.91 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 55 T 8.89 4.73 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 56 T 7.43 4.64 4.26 0.00 0.00 0.00 0.00 0.00 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 57 D 8.55 4.64 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.42 3.78 0.00 1.96 2.00 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.98 1.23 7.81 59 C 8.19 4.29 0.00 3.10 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.54 4.74 0.00 2.81 2.90 0.00 0.00 6.97 7.43 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 61 Y 7.83 4.14 0.00 2.94 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00