NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7037 8.3249 119.4767 57.4438 40.4032 173.6529 2 E 4.5827 8.4135 120.4125 53.4526 32.9265 174.1488 3 N 4.5599 9.5560 121.6706 53.8371 40.0442 174.4821 4 R 4.6575 8.4719 123.7148 55.8184 31.4984 177.7454 5 V 3.6207 8.4053 120.8585 66.2786 31.2964 177.9027 6 A 4.7222 7.9253 121.1524 54.7055 18.2458 179.2652 7 E 3.9142 8.1441 116.5464 59.6564 29.6608 179.6436 8 K 4.1639 7.9165 118.1640 59.5293 31.9586 179.5342 9 Q 4.1523 8.6440 118.9986 58.5948 28.5969 178.6474 10 K 3.8892 8.0901 120.7286 59.4365 32.1318 178.4102 11 L 3.7786 7.5748 119.1299 58.3739 42.0338 178.6831 12 F 4.3074 7.9649 114.7818 59.0613 39.0924 176.6420 13 Q 4.6892 7.5100 116.0615 54.6654 29.4791 174.4151 14 E 3.7795 7.7971 120.9951 56.3011 29.3675 176.7394 15 D 4.6136 8.5450 127.0534 54.5132 38.9727 174.7520 16 N 4.8416 8.1720 118.0069 51.2088 38.0808 175.5595 17 G 3.9538 7.7897 104.4489 46.5731 0.0000 174.1425 18 L 4.2671 7.5270 118.6829 53.0848 42.5522 175.2159 19 P 4.4752 0.0000 0.0000 61.9735 32.5709 177.5175 20 V 3.6541 8.6088 120.6725 65.3710 30.9930 177.3653 21 H 4.5848 8.0495 112.9164 56.5277 28.9667 175.3099 22 L 4.7253 8.1944 119.0900 54.1467 43.4982 178.0638 23 K 4.0602 7.7347 118.6727 58.4429 32.1414 177.6396 24 G 3.7441 8.2552 106.5477 46.7205 0.0000 173.4058 25 G 3.6446 7.3557 106.1112 44.5374 0.0000 174.0625 26 A 4.2875 8.6336 120.6942 55.1582 18.3320 180.2293 27 T 3.8212 7.8880 114.1423 67.0826 68.6209 175.9310 28 D 4.4794 7.5967 121.0268 57.7380 40.8610 179.0465 29 N 4.4258 8.1461 116.0084 56.4219 38.6778 177.0919 30 I 3.7219 7.5174 121.0023 64.4422 37.1927 178.0619 31 L 3.9504 8.0893 120.9116 58.4989 41.9046 178.2929 32 Y 4.0818 8.2270 119.2868 60.9151 38.6735 178.4663 33 R 3.6281 8.2234 118.8947 58.9148 30.1397 178.9945 34 V 3.4923 7.8478 118.0632 66.3938 31.5577 177.9007 35 T 3.7641 7.9662 115.3436 67.1459 68.3162 176.2308 36 M 4.0004 8.0540 120.0724 58.7231 32.0282 178.4286 37 T 3.7701 8.1564 116.3143 66.5275 68.6582 176.3428 38 L 3.9645 8.1918 121.1148 58.1572 41.6313 179.2868 39 C 4.0635 8.4319 116.6138 63.0502 28.1627 176.3965 40 L 4.0862 8.1998 120.5078 57.6300 41.1558 179.7879 41 G 3.7252 8.8655 106.2986 47.9124 0.0000 175.7816 42 G 3.8420 8.7359 109.2646 47.9180 0.0000 175.8079 43 T 4.0258 8.1841 119.6149 65.6086 68.2951 176.9582 44 L 4.0162 8.0159 121.0837 57.9825 41.6599 178.5226 45 Y 4.4666 8.4408 120.1602 61.1040 38.1534 178.5858 46 S 3.8860 8.4714 115.2291 61.4212 63.0768 176.4535 47 L 4.0631 7.8878 122.4427 57.4440 41.2476 178.8634 48 Y 4.0658 8.2865 119.7402 61.0869 38.8756 177.8269 49 C 3.9846 8.2669 117.8089 62.7706 27.9392 175.9982 50 L 4.0595 8.0975 121.4897 57.8886 42.0696 178.9389 51 G 3.8008 7.8966 105.6939 47.6181 0.0000 175.2033 52 W 4.2136 8.0161 131.3544 60.1456 30.4936 177.6445 53 A 3.8687 7.9404 118.0864 54.0351 17.9961 179.1028 54 S 4.0510 7.7146 112.4467 58.9718 63.3217 174.0927 55 F 4.5372 6.9045 119.2329 54.3065 41.0144 173.7464 56 P 4.2740 0.0000 0.0000 63.2175 31.7630 175.6620 57 H 4.7816 8.2191 116.2241 55.5764 29.6850 174.2628 58 K 4.1494 8.2202 124.4580 57.0620 32.1503 174.7297 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 F 8.32 4.70 0.00 2.92 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 2 E 8.41 4.58 0.00 2.01 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 2.23 2.39 0.00 3 N 9.56 4.56 0.00 2.71 2.77 0.00 0.00 6.83 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 4 R 8.47 4.66 0.00 1.88 1.89 0.00 3.72 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 5 V 8.41 3.62 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 1.03 0.00 0.00 0.97 0.00 0.00 6 A 7.93 4.72 1.34 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 7 E 8.14 3.91 0.00 2.13 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 0.00 2.41 2.55 0.00 8 K 7.92 4.16 0.00 2.06 2.09 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.69 1.75 7.81 9 Q 8.64 4.15 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 10 K 8.09 3.89 0.00 1.95 1.99 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 11 L 7.57 3.78 0.00 1.48 1.41 0.67 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.96 4.31 0.00 3.22 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 13 Q 7.51 4.69 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 14 E 7.80 3.78 0.00 1.99 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 2.30 2.24 0.00 15 D 8.54 4.61 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.84 0.00 2.78 2.80 0.00 0.00 6.27 7.00 0.00 0.00 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 G 7.79 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 18 L 7.53 4.27 0.00 1.77 1.57 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.48 0.00 2.01 2.09 0.00 3.64 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 1.77 1.76 0.00 20 V 8.61 3.65 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 0.84 0.00 0.00 0.89 0.00 0.00 21 H 8.05 4.58 0.00 3.28 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.19 4.73 0.00 1.52 1.61 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.73 4.06 0.00 2.10 2.14 0.00 2.03 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.50 1.39 7.81 24 G 8.26 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 25 G 7.36 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 0.00 0.00 0.00 26 A 8.63 4.29 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 T 7.89 3.82 4.28 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 1.25 0.00 0.00 28 D 7.60 4.48 0.00 3.14 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 29 N 8.15 4.43 0.00 3.01 2.93 0.00 0.00 7.13 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.52 3.72 2.08 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 1.43 0.80 0.93 0.00 0.00 31 L 8.09 3.95 0.00 1.94 1.75 0.94 0.75 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 32 Y 8.23 4.08 0.00 3.17 3.28 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 33 R 8.22 3.63 0.00 2.07 1.94 0.00 3.31 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 34 V 7.85 3.49 2.27 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 1.00 0.00 0.00 0.93 0.00 0.00 35 T 7.97 3.76 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 1.18 0.00 0.00 36 M 8.05 4.00 0.00 1.57 1.38 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 37 T 8.16 3.77 4.42 0.00 0.00 0.00 0.00 0.00 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 38 L 8.19 3.96 0.00 1.78 1.72 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.43 4.06 0.00 3.02 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 40 L 8.20 4.09 0.00 1.66 1.71 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.87 3.73 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 0.00 0.00 0.00 42 G 8.74 3.84 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 0.00 0.00 0.00 43 T 8.18 4.03 4.40 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 1.23 0.00 0.00 44 L 8.02 4.02 0.00 1.97 1.78 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.44 4.47 0.00 2.97 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 46 S 8.47 3.89 0.00 4.02 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 47 L 7.89 4.06 0.00 2.02 1.82 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.29 4.07 0.00 3.20 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 3.98 0.00 2.98 2.93 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 0.00 0.00 0.00 0.00 50 L 8.10 4.06 0.00 1.60 1.86 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.02 4.21 0.00 2.87 3.26 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 53 A 7.94 3.87 1.30 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 0.00 0.00 54 S 7.71 4.05 0.00 4.04 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 55 F 6.90 4.54 0.00 2.94 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 56 P 0.00 4.27 0.00 2.10 1.94 0.00 3.75 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 57 H 8.22 4.78 0.00 3.04 3.31 0.00 6.04 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.22 4.15 0.00 1.82 1.72 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.35 7.81