NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.4010 8.1693 120.6431 55.0402 43.0935 174.7983 6 T 4.6645 8.0218 108.3168 58.8880 71.9586 170.1615 7 E 4.1979 8.9095 123.0619 58.9180 30.5926 177.7524 8 T 4.9198 7.8396 107.6990 60.0558 71.2356 173.2790 9 M 4.8433 9.1570 126.7098 52.7857 34.4836 173.6609 10 P 5.1855 0.0000 0.0000 62.1438 33.2782 175.1523 11 F 5.2559 8.5315 115.8220 55.2872 41.5964 173.4754 12 R 5.2494 8.7669 115.8277 54.8585 32.6233 174.1616 13 M 5.0745 9.3303 119.9582 54.1799 36.1297 173.7449 14 T 5.1324 8.6103 114.5112 60.1545 71.9306 172.7665 15 M 4.9972 9.4143 124.2784 53.8230 35.8825 173.5222 16 E 4.8080 8.4931 122.6879 54.8508 33.2280 174.5832 17 G 3.8091 7.2529 107.6161 46.4222 0.0000 172.0191 18 T 5.3076 8.4388 115.4919 61.6411 71.9907 173.9944 19 V 4.1645 8.7226 125.2682 61.9595 33.5628 175.0048 20 N 4.2341 10.0413 125.1122 54.2270 36.0500 175.4719 21 G 3.8239 8.5515 105.8662 45.4100 0.0000 173.7370 22 H 4.6816 8.1473 118.3227 54.9456 29.0127 174.0463 23 H 5.3806 8.6142 122.3656 55.4091 30.4255 174.4278 24 F 5.2459 8.7735 115.9260 55.7440 41.9268 173.1855 25 K 5.1162 9.2292 118.4919 55.0190 36.2589 175.2664 26 C 5.6922 9.6452 120.6655 58.2976 32.6634 173.1469 27 T 5.1878 8.9256 111.1446 60.3640 72.1939 172.8066 28 G 5.0073 9.1239 108.7674 45.3713 0.0000 171.8138 29 K 5.0163 8.3809 118.3350 56.0335 36.3307 175.7329 30 G 3.7252 7.9600 107.3798 46.3083 0.0000 171.5785 31 E 5.1502 8.4553 116.5417 55.7216 33.4035 174.3097 32 G 4.3283 8.9778 106.9082 45.9161 0.0000 171.8392 33 N 5.4450 8.6236 119.2235 50.6911 39.0240 173.8460 34 P 4.1232 0.0000 0.0000 65.0581 31.5688 177.8195 35 F 4.5490 8.0066 114.5886 58.1428 39.4659 176.1722 36 E 4.2759 8.5123 119.5765 55.6572 30.0097 175.9916 37 G 3.8980 8.1347 106.3113 46.9168 0.0000 173.1897 38 T 4.9182 7.5271 108.4898 59.8113 72.0275 172.5258 39 Q 5.2402 8.2895 118.8010 55.7991 31.3346 172.9091 40 D 5.1762 9.4554 120.1096 53.3145 45.5424 174.3255 41 M 5.0640 8.5414 116.6545 54.4400 34.4968 173.6715 42 K 4.6629 8.9226 119.7537 54.9006 34.8548 175.4816 43 I 5.0546 8.2307 123.9000 59.4494 40.3286 174.2950 44 E 4.5772 9.2896 127.9855 54.2299 32.4634 175.0073 45 V 4.5159 8.4788 127.3179 62.5137 31.0830 175.1243 46 I 4.2811 8.6022 122.7446 62.0149 38.8883 176.0258 47 E 4.5891 7.8976 121.4250 55.3269 33.7310 176.5527 48 G 4.2258 8.6413 110.1435 46.6615 0.0000 173.6779 49 G 3.9412 7.7293 107.7294 43.3129 0.0000 172.2735 50 P 4.2893 0.0000 0.0000 61.6456 32.0140 176.2490 51 L 3.5382 8.4393 121.5707 55.0693 41.6631 175.4409 52 P 4.5884 0.0000 0.0000 62.2794 31.5293 175.4014 53 F 4.8294 6.8084 111.6924 55.5628 40.8616 173.7192 54 A 4.0521 8.7320 124.6264 52.3793 18.5422 178.6124 55 F 4.0637 8.9965 125.2792 61.3150 39.4158 176.5936 56 D 4.5324 8.6936 119.8652 56.5952 40.3280 178.4348 57 I 3.8703 7.4107 111.8968 62.6806 37.9799 177.1080 58 L 4.3297 7.6173 120.3406 54.7450 42.0347 178.3027 59 S 4.0737 7.3455 116.0957 61.9180 62.8484 176.3407 60 T 4.2704 7.7947 106.2547 62.7757 68.7437 174.7368 61 S 4.6114 7.7370 117.3445 58.9006 64.3949 173.9391 62 C 4.3886 7.7805 122.7654 59.9849 27.8455 173.2921 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 5 L 8.17 4.40 0.00 1.82 1.78 1.04 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.02 4.66 4.30 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 1.25 0.00 0.00 7 E 8.91 4.20 0.00 2.04 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 0.00 2.45 2.31 0.00 8 T 7.84 4.92 4.27 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 1.25 0.00 0.00 9 M 9.16 4.84 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.78 0.00 10 P 0.00 5.19 0.00 2.02 1.99 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 11 F 8.53 5.26 0.00 3.10 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 12 R 8.77 5.25 0.00 1.81 1.91 0.00 3.00 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 13 M 9.33 5.07 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 14 T 8.61 5.13 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 1.24 0.00 0.00 15 M 9.41 5.00 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 16 E 8.49 4.81 0.00 1.79 1.75 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 2.10 2.19 0.00 17 G 7.25 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 0.00 0.00 0.00 18 T 8.44 5.31 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 19 V 8.72 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.64 0.00 0.00 20 N 10.04 4.23 0.00 2.88 2.88 0.00 0.00 7.36 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 21 G 8.55 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 22 H 8.15 4.68 0.00 3.55 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.61 5.38 0.00 3.15 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.77 5.25 0.00 3.33 3.21 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 25 K 9.23 5.12 0.00 1.72 1.71 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.36 7.81 26 C 9.65 5.69 0.00 3.00 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 27 T 8.93 5.19 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 G 9.12 5.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 5.02 0.00 1.76 1.81 0.00 1.51 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.34 7.81 30 G 7.96 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 31 E 8.46 5.15 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 32 G 8.98 4.33 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 0.00 33 N 8.62 5.45 0.00 2.85 2.78 0.00 0.00 7.13 6.99 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 34 P 0.00 4.12 0.00 1.17 1.72 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 35 F 8.01 4.55 0.00 3.08 3.10 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 36 E 8.51 4.28 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 37 G 8.13 3.90 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 0.00 0.00 0.00 38 T 7.53 4.92 4.27 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 1.27 0.00 0.00 39 Q 8.29 5.24 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 40 D 9.46 5.18 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.54 5.06 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 42 K 8.92 4.66 0.00 1.67 1.71 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.36 7.81 43 I 8.23 5.05 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 1.14 0.00 0.00 44 E 9.29 4.58 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 45 V 8.48 4.52 2.07 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 0.94 0.00 0.00 0.92 0.00 0.00 46 I 8.60 4.28 1.90 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 1.29 0.87 0.99 0.00 0.00 47 E 7.90 4.59 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 48 G 8.64 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 0.00 0.00 0.00 0.00 49 G 7.73 3.94 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 0.00 0.00 0.00 50 P 0.00 4.29 0.00 2.12 2.02 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 51 L 8.44 3.54 0.00 1.40 1.08 0.49 0.33 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 52 P 0.00 4.59 0.00 2.00 2.02 0.00 3.36 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 53 F 6.81 4.83 0.00 3.02 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 54 A 8.73 4.05 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 55 F 9.00 4.06 0.00 3.05 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 56 D 8.69 4.53 0.00 2.75 2.75 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 57 I 7.41 3.87 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.46 0.88 0.00 0.00 58 L 7.62 4.33 0.00 0.85 1.46 0.73 0.81 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 59 S 7.35 4.07 0.00 3.93 3.94 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 60 T 7.79 4.27 4.22 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 1.19 0.00 0.00 61 S 7.74 4.61 0.00 4.00 3.93 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 62 C 7.78 4.39 0.00 3.16 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