NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A R 4.2394 8.2544 119.7063 56.2352 29.7593 173.8008 1B K 4.1151 7.5841 120.6323 55.4546 35.6756 176.8620 1C L 4.1967 8.7622 118.3486 55.6037 41.6430 179.2490 1 C 4.6211 5.8240 130.8410 60.4885 41.0087 175.9941 2 S 3.8832 7.9854 114.2131 59.9558 62.8679 173.8731 3 L 4.2333 8.2550 123.5583 53.9746 41.1361 175.5642 4 D 4.3299 9.0650 129.2720 55.7770 39.7848 173.2706 5 N 4.4824 8.4816 109.8513 53.0564 37.7712 174.3592 6 G 3.6303 8.8461 101.3611 45.6675 0.0000 174.4230 7 D 4.5536 8.3006 116.0967 54.5765 40.2224 173.3521 8 C 4.6859 7.7769 114.1397 56.0557 41.3044 173.7962 9 D 4.5330 8.4647 122.8250 57.0018 41.9494 177.4500 10 Q 4.5080 7.2010 112.7718 55.4082 31.0029 179.5542 11 F 4.6187 7.2443 127.6694 58.9836 39.8107 172.1291 12 C 5.5467 8.8818 122.5480 55.1455 47.0428 172.4682 13 H 5.0202 9.0846 124.6876 54.7780 33.5419 171.7964 14 E 4.6749 8.7308 125.1389 55.2423 30.1925 175.3591 15 E 4.3063 8.3741 126.4030 55.0284 30.8862 175.9088 16 Q 3.1955 9.5590 127.7101 56.8967 26.4423 172.8972 17 N 4.2744 8.4251 114.9561 53.9264 40.0936 171.7295 18 S 4.2766 8.2694 116.5288 58.1103 63.9074 168.9205 19 V 4.3208 8.0059 125.4477 62.5428 32.8137 175.5190 20 V 4.3750 8.7469 125.8670 61.6709 34.2815 173.7585 21 C 5.4806 8.9107 125.5168 56.3132 41.6562 172.7378 22 S 4.7379 8.7114 114.8258 57.7921 66.7243 171.7284 23 C 4.7091 8.4885 115.5422 54.5971 38.4734 174.2511 24 A 4.4963 8.6280 124.0237 51.6603 18.7130 177.5736 25 R 4.1582 8.4351 118.8636 58.1450 30.6546 177.7178 26 G 4.0022 9.5047 109.9316 45.1045 0.0000 172.0186 27 Y 5.2593 7.6276 115.5642 56.2039 42.0808 175.0183 28 T 4.7450 8.9364 110.7770 59.5156 72.4734 172.9973 29 L 4.5231 8.6737 126.5630 55.0730 42.8017 176.4157 30 A 4.2684 9.1807 128.8087 51.7415 19.3549 177.6887 31 D 4.2696 8.7388 117.9834 57.1294 40.6998 176.6779 32 N 4.4719 8.2491 114.9411 52.8263 37.7384 175.8780 33 G 4.0967 8.2444 106.8931 46.5257 0.0000 174.2557 34 K 4.4974 8.0183 118.4640 57.5848 35.8731 176.9831 35 A 4.7568 8.8718 121.5388 51.9862 19.9149 175.6490 36 C 5.3156 9.2095 117.6952 55.2912 41.6975 173.6392 37 I 4.6225 8.9283 125.4505 58.7755 38.9436 173.7326 38 P 4.0354 0.0000 0.0000 63.0905 31.2648 176.6321 39 T 4.1039 8.7734 120.5383 65.1991 69.4630 174.5159 40 G 4.1915 7.4037 107.7374 43.1889 0.0000 169.9443 41 P 4.1386 0.0000 0.0000 64.9508 31.8048 176.7055 42 Y 4.6697 7.4217 113.8554 55.2207 38.0117 173.2651 43 P 4.3251 0.0000 0.0000 62.2379 32.8990 177.0934 44 C 4.2751 8.5258 114.4989 59.5495 30.1517 174.6939 45 G 3.9700 8.8321 108.7238 45.8255 0.0000 173.2003 46 K 4.5558 7.4380 118.3420 54.1906 33.4785 176.5255 47 Q 4.0988 8.6029 123.7038 55.8356 29.2476 176.1695 48 T 4.1815 8.4505 112.9197 61.6438 68.9544 174.3892 49 L 4.3416 8.5184 127.1088 56.0728 42.5093 176.7500 50 E 4.2771 7.9282 120.6200 56.6602 29.1750 174.7214 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 1A R 8.25 4.24 0.00 1.82 1.98 0.00 3.16 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 1B K 7.58 4.12 0.00 1.78 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.52 7.81 1C L 8.76 4.20 0.00 1.94 1.32 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 1 C 5.82 4.62 0.00 3.16 3.16 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 2 S 7.99 3.88 0.00 3.86 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 3 L 8.26 4.23 0.00 1.78 1.74 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.07 4.33 0.00 2.92 2.63 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 0.00 0.00 0.00 5 N 8.48 4.48 0.00 2.97 2.79 0.00 0.00 7.59 7.93 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 6 G 8.85 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.30 4.55 0.00 2.82 2.81 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 8 C 7.78 4.69 0.00 3.08 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 9 D 8.46 4.53 0.00 2.70 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 10 Q 7.20 4.51 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.91 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 11 F 7.24 4.62 0.00 3.03 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 12 C 8.88 5.55 0.00 3.11 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 13 H 9.08 5.02 0.00 3.27 3.09 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.73 4.67 0.00 1.83 1.84 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 2.24 2.26 0.00 15 E 8.37 4.31 0.00 1.99 1.79 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 2.25 2.29 0.00 16 Q 9.56 3.20 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.77 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 17 N 8.43 4.27 0.00 2.85 2.82 0.00 0.00 7.30 7.63 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 18 S 8.27 4.28 0.00 4.12 3.86 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 19 V 8.01 4.32 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 20 V 8.75 4.37 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 0.97 0.00 0.00 0.94 0.00 0.00 21 C 8.91 5.48 0.00 3.00 2.98 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 22 S 8.71 4.74 0.00 4.02 4.03 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 23 C 8.49 4.71 0.00 2.80 2.83 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 24 A 8.63 4.50 1.27 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 0.00 0.00 25 R 8.44 4.16 0.00 1.90 1.96 0.00 3.22 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 26 G 9.50 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 27 Y 7.63 5.26 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 28 T 8.94 4.74 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 29 L 8.67 4.52 0.00 1.68 1.64 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.18 4.27 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.27 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.47 0.00 2.99 3.04 0.00 0.00 6.19 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 33 G 8.24 4.10 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 0.00 0.00 0.00 34 K 8.02 4.50 0.00 1.97 1.94 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.53 7.81 35 A 8.87 4.76 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 36 C 9.21 5.32 0.00 2.63 2.90 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 37 I 8.93 4.62 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 0.91 0.00 0.00 38 P 0.00 4.04 0.00 1.75 1.60 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 39 T 8.77 4.10 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 1.17 0.00 0.00 40 G 7.40 4.19 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 0.00 41 P 0.00 4.14 0.00 2.04 1.94 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 42 Y 7.42 4.67 0.00 2.92 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 43 P 0.00 4.33 0.00 1.79 1.58 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 44 C 8.53 4.28 0.00 3.22 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 45 G 8.83 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 46 K 7.44 4.56 0.00 1.89 1.79 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.60 7.81 47 Q 8.60 4.10 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.45 4.18 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 1.43 0.00 0.00 49 L 8.52 4.34 0.00 1.63 1.77 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.93 4.28 0.00 2.04 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 2.15 2.26 0.00