NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7437 8.3431 109.6993 44.6025 0.0000 175.6102 3 G 2.7387 7.3112 107.9211 43.7688 0.0000 173.3781 4 K 3.7504 9.1567 118.5525 57.1067 30.7599 173.3279 5 W 4.9035 7.9763 116.6217 55.5714 30.8481 176.1731 6 S 3.6676 8.6840 111.9521 58.6988 59.1684 170.4272 7 K 4.6266 7.8985 120.5132 55.4083 35.2221 175.6806 8 S 4.5452 8.2706 114.8268 57.4240 65.3043 172.2443 9 S 4.8518 8.1538 117.5608 56.6316 65.5923 172.4945 10 V 4.2287 7.9681 118.5944 60.8712 33.7017 171.6989 11 V 3.1509 8.2730 124.3221 61.3153 31.7355 171.6081 12 G 3.3242 7.7979 107.8099 45.0110 0.0000 174.0433 13 W 5.1071 7.0276 114.1043 55.4776 28.3974 172.7098 14 P 4.6303 0.0000 0.0000 63.6268 31.7556 179.5538 15 A 4.0234 8.2444 123.7100 56.4793 19.1461 180.6793 16 V 3.6387 7.9603 114.8193 66.0662 31.1806 177.6035 17 R 3.8590 7.3268 118.2893 59.7718 29.8121 177.9962 18 E 4.1116 8.2164 118.2421 59.4957 29.3680 179.5508 19 R 3.9806 7.8568 114.9386 59.3084 29.8410 178.0821 20 M 4.2048 8.6785 116.8140 57.1875 31.3476 177.7951 21 R 3.9606 7.3671 119.8406 60.5863 30.2059 176.9530 22 R 4.0967 8.3203 116.7837 54.6850 30.8152 178.6839 23 A 4.8764 7.0380 130.0104 50.9849 17.6229 176.3138 24 E 4.9510 7.3807 119.6982 53.9787 32.6103 175.2568 25 P 4.4383 0.0000 0.0000 62.2298 30.4527 175.2389 26 A 4.6052 8.1699 125.7141 50.2006 22.1516 175.1420 27 A 4.4610 8.4917 123.3176 51.0272 20.3122 176.3853 28 D 4.3966 8.5898 121.2001 55.7328 39.9873 173.6635 29 G 4.2043 7.4362 114.1758 45.0570 0.0000 173.2450 30 V 4.3674 8.2270 118.9047 59.9175 35.2271 174.7291 31 G 3.6545 8.9722 114.2257 47.7175 0.0000 172.6776 32 A 4.4600 7.3220 119.2383 50.2688 21.5225 174.3067 33 A 4.0764 7.8676 121.8109 53.6811 18.1719 179.2806 34 S 4.4232 7.2309 113.3506 57.4217 65.9799 177.3405 35 R 4.0987 8.2467 121.9708 55.7696 29.2059 176.0109 36 D 4.7342 8.8297 122.5187 56.1178 44.4408 177.8860 37 L 3.9519 7.8524 119.6496 58.0771 42.0629 178.2939 38 E 3.6772 8.3289 118.9477 59.2946 29.0690 178.5428 39 K 3.8286 7.4727 118.2087 60.1598 32.3358 178.1286 40 H 4.6632 8.0873 114.3437 58.6079 28.9634 177.5692 41 G 3.7836 8.9099 107.6666 47.0502 0.0000 174.2442 42 A 4.3606 7.8963 125.1564 51.0033 16.8277 178.4963 43 I 4.3556 7.2228 121.1488 59.9187 40.4614 175.9276 44 T 4.3723 8.5363 123.1290 61.6839 69.4413 174.2206 45 S 4.4848 8.5461 121.0285 56.4170 64.1112 173.5746 46 S 4.5739 8.6591 123.8525 56.7696 64.9961 173.0872 47 N 5.0110 8.7283 123.9489 51.6274 41.0960 173.5719 48 T 4.4426 8.4439 114.6723 61.3494 71.5255 175.0063 49 A 3.3177 8.8341 126.5110 51.1811 18.0721 179.4541 50 A 3.5710 8.7427 121.1633 55.1421 17.0593 175.4248 51 N 4.8936 8.3434 110.0853 51.9694 40.5047 173.9637 52 N 3.8589 8.7515 111.7501 54.2107 36.3358 173.1888 53 A 4.0750 8.0091 124.5115 51.6021 19.6211 178.4043 54 A 3.6266 8.6038 121.9354 53.6594 17.4827 176.3240 55 C 4.1400 8.6958 112.2058 59.6565 30.1206 173.5853 56 A 4.1636 8.1625 116.1520 51.6564 21.7522 177.2296 57 W 4.0474 8.2378 121.8105 57.3571 29.2953 174.2997 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 2 G 8.34 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 3 G 7.31 2.74 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 4 K 9.16 3.75 0.00 1.77 1.88 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.47 7.81 5 W 7.98 4.90 0.00 3.40 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 6 S 8.68 3.67 0.00 4.04 3.91 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 0.00 0.00 0.00 7 K 7.90 4.63 0.00 1.88 1.76 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 8 S 8.27 4.55 0.00 3.80 3.72 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 9 S 8.15 4.85 0.00 3.93 3.81 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 10 V 7.97 4.23 2.06 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 0.79 0.00 0.00 0.91 0.00 0.00 11 V 8.27 3.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.01 0.00 0.00 12 G 7.80 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 0.00 0.00 0.00 13 W 7.03 5.11 0.00 3.34 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 14 P 0.00 4.63 0.00 2.26 2.29 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 2.08 1.94 0.00 15 A 8.24 4.02 1.38 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 0.00 0.00 16 V 7.96 3.64 2.14 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 1.05 0.00 0.00 0.98 0.00 0.00 17 R 7.33 3.86 0.00 2.05 2.22 0.00 3.32 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 18 E 8.22 4.11 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 19 R 7.86 3.98 0.00 1.97 2.07 0.00 3.05 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 20 M 8.68 4.20 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 21 R 7.37 3.96 0.00 2.02 2.06 0.00 3.42 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 22 R 8.32 4.10 0.00 1.84 1.83 0.00 3.56 0.00 0.00 3.23 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 23 A 7.04 4.88 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 24 E 7.38 4.95 0.00 1.92 1.85 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 0.00 2.04 2.03 0.00 25 P 0.00 4.44 0.00 2.22 2.10 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 26 A 8.17 4.61 1.21 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 0.00 0.00 0.00 27 A 8.49 4.46 1.24 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 0.00 0.00 0.00 28 D 8.59 4.40 0.00 2.73 2.64 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 29 G 7.44 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 0.00 0.00 0.00 0.00 30 V 8.23 4.37 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 0.67 0.00 0.00 0.93 0.00 0.00 31 G 8.97 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.32 4.46 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 33 A 7.87 4.08 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 34 S 7.23 4.42 0.00 3.96 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 35 R 8.25 4.10 0.00 1.81 1.72 0.00 3.15 0.00 0.00 3.23 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 36 D 8.83 4.73 0.00 2.65 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 37 L 7.85 3.95 0.00 1.72 1.67 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.33 3.68 0.00 2.04 1.96 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 2.39 2.34 0.00 39 K 7.47 3.83 0.00 1.81 1.82 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.59 7.81 40 H 8.09 4.66 0.00 3.17 3.32 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.91 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 A 7.90 4.36 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 43 I 7.22 4.36 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.93 0.00 0.00 44 T 8.54 4.37 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 45 S 8.55 4.48 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.57 0.00 3.84 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 47 N 8.73 5.01 0.00 2.69 2.70 0.00 0.00 7.23 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.44 4.44 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 1.21 0.00 0.00 49 A 8.83 3.32 1.13 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 0.00 0.00 50 A 8.74 3.57 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 51 N 8.34 4.89 0.00 2.76 2.76 0.00 0.00 6.02 8.05 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 52 N 8.75 3.86 0.00 2.79 2.81 0.00 0.00 6.93 7.95 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 53 A 8.01 4.08 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 54 A 8.60 3.63 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 55 C 8.70 4.14 0.00 3.03 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 56 A 8.16 4.16 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 57 W 8.24 4.05 0.00 3.47 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