NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2452 8.3049 120.3127 53.7913 33.6913 174.6640 2 Q 3.4096 7.6386 117.6601 56.3882 27.6658 172.1619 3 T 3.9759 8.0228 113.1039 61.7223 69.7399 174.9767 4 L 4.5196 8.7958 125.8984 57.9172 42.0682 180.1720 5 S 4.1635 8.0713 113.0144 61.5146 63.2641 176.1016 6 E 3.8507 7.9078 122.5187 58.8178 28.8535 179.3218 7 R 3.5213 8.0394 119.0181 58.8599 30.0699 178.2563 8 L 3.9613 7.3440 118.8710 57.9861 42.1512 178.4310 9 K 3.7586 8.1192 119.8559 59.6536 31.9434 177.9200 10 K 3.8289 8.0279 119.5167 59.9680 31.9572 178.4751 11 R 4.0044 7.8983 117.7253 59.4542 29.9779 178.3723 12 R 3.9040 8.0788 118.4486 59.2906 29.9294 178.6909 13 I 3.6764 8.0340 119.5273 64.4343 37.0171 178.0252 14 A 4.0117 8.0979 120.5035 55.0715 18.2374 178.7324 15 L 4.2539 8.0533 114.4430 53.7501 42.5227 176.6708 16 K 3.8327 8.0287 117.7477 57.9785 30.1906 174.6459 17 M 4.7376 8.1694 116.1209 53.8549 35.2291 174.2195 18 T 4.6495 7.9826 117.7244 60.0564 70.2379 174.9038 19 Q 3.9924 8.8191 126.1834 59.7093 28.6318 179.3165 20 T 3.8523 8.1234 113.2116 65.2760 67.1973 175.3736 21 E 3.8716 8.2211 121.0052 59.1078 29.7272 178.4902 22 L 3.9126 7.8876 119.6328 58.0913 42.2476 178.4890 23 A 3.9053 8.4846 120.9229 55.4718 18.4318 179.7281 24 T 3.7360 8.0867 114.2495 66.7762 68.3656 177.0211 25 K 3.9391 7.8400 118.5662 59.4933 32.2591 178.9722 26 A 4.2185 8.3345 119.0407 52.4331 18.5075 177.2791 27 G 3.7477 8.2419 104.6676 46.3025 0.0000 173.5739 28 V 4.3260 7.8955 111.5585 59.5213 35.8558 174.9061 29 K 4.3475 7.9106 119.4157 55.4806 33.4650 178.1390 30 Q 3.9157 8.6166 121.6412 59.7363 29.1098 178.5471 31 Q 3.9704 8.1638 118.4121 59.2851 27.9416 179.2720 32 S 4.2049 7.6731 115.3286 61.7924 62.8194 176.8454 33 I 4.0690 7.5782 121.8060 64.2253 37.0401 178.0207 34 Q 4.0305 8.3477 119.2057 59.2151 28.5103 179.0800 35 L 4.0739 7.9241 119.2751 57.8569 41.4955 179.7850 36 I 3.7170 7.2399 116.4591 64.4318 36.9979 177.9078 37 E 3.8153 8.0085 119.1115 59.2269 29.5212 177.8666 38 A 4.0866 8.5672 120.0736 52.8417 18.5547 177.5905 39 G 3.8247 8.1360 103.9849 46.5355 0.0000 175.1051 40 V 4.0311 8.0366 119.5075 64.3424 32.5888 176.8788 41 T 4.4151 7.6228 118.8948 61.7097 66.7183 175.5209 42 K 3.8374 7.9207 121.8030 58.1048 32.6774 177.6765 43 R 4.3764 7.2956 117.0707 53.8890 32.1861 172.7576 44 P 4.1452 0.0000 0.0000 61.3480 32.5870 177.1244 45 R 3.9524 7.9925 122.2089 59.5181 30.3545 180.0835 46 F 5.2014 6.9788 112.6405 56.5754 37.9884 177.0584 47 L 3.9414 8.0739 123.5679 59.1217 42.0553 178.1764 48 F 4.0268 8.3525 120.1054 61.2794 39.2222 176.6264 49 E 4.0553 8.4499 117.6562 59.6077 29.3985 179.2571 50 I 3.7345 7.9009 119.4165 64.2736 37.1693 178.0155 51 A 3.9342 8.0082 121.5130 55.8930 18.2315 179.7446 52 M 3.9435 7.7423 116.1281 58.1582 31.7754 178.8266 53 A 4.0026 7.8371 120.3075 54.5519 18.6048 178.4747 54 L 4.3760 8.1665 115.7773 53.7840 42.5039 175.6848 55 N 4.1511 7.9396 113.1223 54.5937 36.7481 173.0734 56 C 4.5578 8.1078 112.6611 56.1637 32.9583 172.2653 57 D 4.8845 8.2361 117.1475 52.1990 43.6783 174.8138 58 P 4.2445 0.0000 0.0000 66.2894 31.4774 179.0158 59 V 3.8938 7.7978 117.3762 64.8337 31.2847 178.0724 60 W 4.2008 8.2343 128.1347 60.3327 30.8694 177.9449 61 L 3.8375 8.4215 119.7015 58.9010 39.7384 178.9559 62 Q 3.5437 8.0603 119.3468 57.8613 28.4924 176.9429 63 Y 4.6879 7.9952 115.2029 57.3414 39.6412 176.9808 64 G 3.6265 8.6629 108.8509 45.0977 0.0000 173.2179 65 T 4.7790 7.5642 112.5169 59.7989 70.2890 172.5995 66 K 4.5839 8.6077 128.6556 54.2375 33.8701 175.7324 67 R 3.9638 8.8707 125.3356 56.5523 30.1032 178.1914 68 G 4.0213 8.4691 114.4478 45.5295 0.0000 172.0489 69 K 3.8596 8.0653 123.7907 59.4220 32.8853 176.6521 70 A 4.1709 7.8211 121.8929 51.1241 17.8959 176.8555 71 A 4.1856 8.4490 123.9653 53.2696 18.5373 177.1294 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 M 8.30 4.25 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 2 Q 7.64 3.41 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.65 0.00 3 T 8.02 3.98 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 4 L 8.80 4.52 0.00 1.71 1.66 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.07 4.16 0.00 4.16 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 0.00 6 E 7.91 3.85 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 7 R 8.04 3.52 0.00 1.58 1.60 0.00 2.40 0.00 0.00 2.70 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 8 L 7.34 3.96 0.00 1.90 1.82 0.98 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.12 3.76 0.00 2.10 2.06 0.00 1.85 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 10 K 8.03 3.83 0.00 2.01 2.08 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.53 7.81 11 R 7.90 4.00 0.00 2.47 2.28 0.00 3.07 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 12 R 8.08 3.90 0.00 2.10 2.06 0.00 3.22 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 13 I 8.03 3.68 2.08 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 1.47 0.65 0.92 0.00 0.00 14 A 8.10 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.25 0.00 1.70 1.71 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.03 3.83 0.00 1.85 1.86 0.00 1.53 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 17 M 8.17 4.74 0.00 1.93 1.90 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 2.71 2.42 0.00 18 T 7.98 4.65 4.24 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 1.23 0.00 0.00 19 Q 8.82 3.99 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 20 T 8.12 3.85 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 1.20 0.00 0.00 21 E 8.22 3.87 0.00 2.14 1.95 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 2.30 2.31 0.00 22 L 7.89 3.91 0.00 1.80 1.85 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.48 3.91 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 24 T 8.09 3.74 4.37 0.00 0.00 0.00 0.00 0.00 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 25 K 7.84 3.94 0.00 1.95 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 26 A 8.33 4.22 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 28 V 7.90 4.33 1.74 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 0.35 0.00 0.00 0.67 0.00 0.00 29 K 7.91 4.35 0.00 1.68 1.82 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.31 7.81 30 Q 8.62 3.92 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 31 Q 8.16 3.97 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 32 S 7.67 4.20 0.00 3.63 3.19 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 33 I 7.58 4.07 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.78 0.95 0.00 0.00 34 Q 8.35 4.03 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 35 L 7.92 4.07 0.00 2.08 1.79 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.24 3.72 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.93 0.00 0.00 37 E 8.01 3.82 0.00 2.08 2.00 0.00 0.00 0.00 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 38 A 8.57 4.09 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 39 G 8.14 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 0.00 0.00 0.00 40 V 8.04 4.03 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 0.87 0.00 0.00 0.94 0.00 0.00 41 T 7.62 4.42 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 1.19 0.00 0.00 42 K 7.92 3.84 0.00 1.75 1.90 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.47 7.81 43 R 7.30 4.38 0.00 1.58 1.79 0.00 3.34 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 44 P 0.00 4.15 0.00 1.67 1.15 0.00 3.56 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 1.90 2.07 0.00 45 R 7.99 3.95 0.00 1.78 1.95 0.00 3.12 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 46 F 6.98 5.20 0.00 3.32 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 47 L 8.07 3.94 0.00 1.90 1.74 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.35 4.03 0.00 3.21 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 49 E 8.45 4.06 0.00 2.52 2.30 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 2.58 2.60 0.00 50 I 7.90 3.73 2.12 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.97 0.00 0.00 51 A 8.01 3.93 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 52 M 7.74 3.94 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 53 A 7.84 4.00 1.39 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 0.00 0.00 0.00 54 L 8.17 4.38 0.00 1.69 1.69 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 55 N 7.94 4.15 0.00 2.86 2.79 0.00 0.00 6.64 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 8.11 4.56 0.00 2.59 2.68 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 0.00 0.00 0.00 0.00 57 D 8.24 4.88 0.00 2.62 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 P 0.00 4.24 0.00 2.30 2.20 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 59 V 7.80 3.89 2.35 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 1.43 0.00 0.00 1.06 0.00 0.00 60 W 8.23 4.20 0.00 3.54 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 3.84 0.00 1.98 2.16 0.90 0.73 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 62 Q 8.06 3.54 0.00 1.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 63 Y 8.00 4.69 0.00 2.98 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 64 G 8.66 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 65 T 7.56 4.78 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 1.34 0.00 0.00 66 K 8.61 4.58 0.00 1.78 1.69 0.00 1.40 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.29 1.57 7.81 67 R 8.87 3.96 0.00 2.00 1.94 0.00 3.30 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 68 G 8.47 4.02 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 0.00 0.00 0.00 69 K 8.07 3.86 0.00 1.73 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 70 A 7.82 4.17 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 71 A 8.45 4.19 1.25 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 0.00 0.00