NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8252 8.1976 109.7369 41.1872 0.0000 173.7672 4 I 3.2361 7.7678 109.4166 59.4947 38.2489 172.9720 5 R 5.2165 8.4059 122.2306 54.2259 28.9186 177.4277 6 E 4.0491 8.0761 119.0925 57.0488 31.3829 180.1381 7 K 4.5391 8.4751 121.0598 57.9095 33.6965 175.7571 8 I 4.2114 7.7555 117.8586 61.0108 42.0181 173.4773 9 K 5.1238 8.9482 127.0432 55.4053 35.0598 176.0805 10 L 5.5907 8.7241 123.8326 52.2933 42.3325 176.1220 11 V 4.2580 8.3209 123.7533 62.8829 33.2691 174.1206 12 S 4.2527 8.2262 120.4550 56.9018 62.4025 174.0204 13 S 4.2835 8.4540 122.7224 61.4183 62.7317 175.5364 14 A 4.0711 7.7565 123.2086 51.4247 18.6631 178.3411 15 G 3.8250 8.7344 110.1833 48.6118 0.0000 174.2205 16 T 3.8592 7.2331 112.9090 62.6748 67.6187 173.3280 17 G 3.9996 8.5182 115.4977 46.1402 0.0000 173.2162 18 H 4.7980 7.9587 120.6368 56.1251 31.1472 173.9334 19 F 5.0367 7.6069 115.5780 56.7800 40.4689 172.2323 20 Y 4.3571 8.4215 117.7556 56.7055 41.2177 174.5043 21 T 5.1003 8.1284 113.7080 61.5375 70.5019 172.5014 22 T 4.5690 9.1105 122.2856 61.8657 71.6531 171.8736 23 T 4.9803 8.3440 114.4724 60.4802 71.4292 173.3665 24 K 4.5086 9.1601 122.4643 54.9846 36.4623 174.9189 25 N 5.2745 8.1412 120.9637 50.4135 37.7093 174.7839 26 K 3.9585 7.9996 123.0055 59.5539 32.8916 178.2952 27 R 4.0491 7.5070 116.9434 58.7956 29.9831 177.1546 28 T 4.6219 8.4736 103.9594 60.8594 70.5617 174.0107 29 K 5.4167 7.4416 119.3895 53.7032 32.2535 175.3149 30 P 4.4435 0.0000 0.0000 63.6233 32.1542 176.7416 31 E 4.2702 7.9147 119.0840 54.8332 30.2049 175.9002 32 K 4.4304 8.6625 123.8421 56.4998 32.5259 176.6090 33 L 4.2602 8.6344 128.5723 55.2746 42.7038 176.0320 34 E 5.6644 8.7908 123.6831 54.4560 33.2332 175.0264 35 L 4.4605 8.9816 119.0841 55.1560 45.4450 171.3481 36 K 4.3033 8.8121 127.7027 56.0367 32.6173 174.8159 37 K 4.5893 9.1842 121.5662 55.8033 36.6822 173.8534 38 F 4.8747 8.8982 123.0859 58.1514 40.6834 176.1827 39 D 4.6272 7.4988 125.5943 50.8280 41.0277 174.3697 40 P 3.8714 0.0000 0.0000 65.3929 31.8104 178.3484 41 V 3.6037 7.6589 116.1785 65.8557 31.4007 176.8057 42 V 3.8655 8.7852 116.6721 62.2220 32.0278 175.3676 43 R 3.6315 7.7233 117.6565 56.9777 28.2476 176.6375 44 Q 4.7956 7.0651 112.7269 55.0964 33.8860 175.1567 45 H 4.8192 9.5376 122.0128 56.8661 29.3202 174.9488 46 V 4.6136 9.1223 122.1148 59.7626 35.8227 174.3369 47 I 4.1353 8.2897 121.8005 61.7244 38.3393 174.6844 48 Y 4.9791 8.8627 124.0012 56.4020 40.7139 174.8316 49 K 5.1183 8.6448 126.8671 55.4738 36.0563 170.4472 50 E 3.5685 9.0566 127.9433 56.8596 28.6809 174.2530 51 A 4.6277 8.6543 128.1281 53.3162 20.1713 176.1671 52 K 4.9494 7.8236 120.0006 56.1409 31.7772 175.0310 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 3 G 8.20 3.83 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 0.00 0.00 0.00 4 I 7.77 3.24 1.87 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 1.43 1.22 0.91 0.00 0.00 5 R 8.41 5.22 0.00 1.69 1.93 0.00 3.32 0.00 0.00 3.08 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 6 E 8.08 4.05 0.00 1.97 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 2.42 2.44 0.00 7 K 8.48 4.54 0.00 1.67 1.82 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 8 I 7.76 4.21 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.65 0.99 0.00 0.00 9 K 8.95 5.12 0.00 2.10 1.94 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.34 7.81 10 L 8.72 5.59 0.00 1.79 1.85 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.32 4.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 12 S 8.23 4.25 0.00 3.90 3.83 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 13 S 8.45 4.28 0.00 3.85 4.06 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 14 A 7.76 4.07 1.17 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 0.00 0.00 15 G 8.73 3.83 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 0.00 0.00 0.00 16 T 7.23 3.86 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 1.26 0.00 0.00 17 G 8.52 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 18 H 7.96 4.80 0.00 3.20 3.38 0.00 5.62 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 19 F 7.61 5.04 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 20 Y 8.42 4.36 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 5.10 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 1.16 0.00 0.00 22 T 9.11 4.57 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 1.21 0.00 0.00 23 T 8.34 4.98 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 24 K 9.16 4.51 0.00 1.77 1.64 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 N 8.14 5.27 0.00 2.73 2.67 0.00 0.00 7.27 6.75 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 26 K 8.00 3.96 0.00 1.87 1.84 0.00 1.68 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.57 7.81 27 R 7.51 4.05 0.00 2.00 2.00 0.00 3.32 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 28 T 8.47 4.62 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 1.27 0.00 0.00 29 K 7.44 5.42 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.48 7.81 30 P 0.00 4.44 0.00 2.04 2.10 0.00 3.67 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 2.03 2.24 0.00 31 E 7.91 4.27 0.00 2.07 2.10 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 2.27 2.42 0.00 32 K 8.66 4.43 0.00 1.66 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 33 L 8.63 4.26 0.00 1.64 1.59 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.79 5.66 0.00 1.86 1.81 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 2.24 2.25 0.00 35 L 8.98 4.46 0.00 1.61 1.73 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.81 4.30 0.00 2.02 1.99 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.50 7.81 37 K 9.18 4.59 0.00 1.54 1.50 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.32 7.81 38 F 8.90 4.87 0.00 2.82 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 39 D 7.50 4.63 0.00 2.76 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.87 0.00 1.93 2.12 0.00 3.00 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 1.95 2.12 0.00 41 V 7.66 3.60 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 0.73 0.00 0.00 0.92 0.00 0.00 42 V 8.79 3.87 1.98 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 0.80 0.00 0.00 0.95 0.00 0.00 43 R 7.72 3.63 0.00 1.95 2.12 0.00 3.41 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 44 Q 7.07 4.80 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 45 H 9.54 4.82 0.00 3.11 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.12 4.61 2.02 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 0.44 0.00 0.00 0.86 0.00 0.00 47 I 8.29 4.14 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.94 0.00 0.00 48 Y 8.86 4.98 0.00 2.96 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 49 K 8.64 5.12 0.00 1.90 1.72 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.42 7.81 50 E 9.06 3.57 0.00 2.16 2.05 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 2.20 2.59 0.00 51 A 8.65 4.63 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 52 K 7.82 4.95 0.00 1.84 2.05 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81