NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3410 8.2649 123.5808 52.3699 19.8232 176.8329 3 S 4.6383 8.4711 119.6780 56.9830 63.5789 173.8186 4 T 4.2292 8.0126 112.2298 63.1574 70.7606 175.0331 5 S 4.2008 7.7902 115.9993 57.6207 62.4497 173.2836 6 R 3.9204 7.9601 126.5512 58.3969 30.1497 176.8539 7 L 4.5089 7.2462 117.0625 53.0176 49.8100 175.6624 8 D 4.3062 7.9851 116.4831 55.0094 40.1233 173.1640 9 A 4.6705 7.3915 117.5692 49.8289 20.6090 177.5517 10 L 4.6324 8.0249 121.4626 52.9591 42.8014 174.7791 11 P 4.5276 0.0000 0.0000 62.3531 32.1390 175.6890 12 R 4.0842 8.2656 117.2488 55.5186 30.5008 175.8911 13 V 3.4735 8.4451 122.7230 62.5176 30.5922 176.9031 14 T 3.3156 8.2909 117.6599 61.3257 69.2313 170.7475 15 C 4.3684 7.9161 120.2728 58.6838 31.9119 173.1916 16 P 4.3273 0.0000 0.0000 64.9724 30.9719 176.5120 17 N 4.8551 8.0341 113.3581 53.1370 40.5044 174.3158 18 H 4.8780 7.7045 115.8642 52.5188 29.5822 171.9093 19 P 4.5107 0.0000 0.0000 64.9890 31.4740 178.4040 20 D 4.3275 8.0532 117.2772 56.2064 41.0100 176.1618 21 A 4.2916 7.6568 122.6428 51.0796 17.4560 176.5498 22 I 4.2346 8.3468 117.6640 62.2501 35.9729 175.3869 23 L 3.8447 6.9789 122.1369 52.1777 40.7033 177.5585 24 V 3.9968 9.2567 125.6580 62.3150 33.2532 174.6736 25 E 4.3833 8.6354 123.1761 56.9003 30.5650 175.0723 26 D 4.8999 8.9505 125.8284 53.5084 37.2096 170.8347 27 Y 4.2232 9.3926 124.2050 58.3221 37.9123 176.2386 28 R 3.2608 9.4190 128.0412 56.8281 27.8555 176.4367 29 A 4.5083 7.6960 114.0212 54.1518 17.9123 179.5662 30 G 4.2952 7.2509 112.6349 47.7587 0.0000 174.9509 31 D 5.2937 9.0428 131.4153 54.3992 43.4581 174.5863 32 M 4.8744 9.1201 125.7221 55.5950 33.5485 175.4193 33 I 5.1895 8.8163 124.7287 58.6379 39.4001 174.2109 34 C 4.6009 8.5555 128.8304 57.1666 30.2428 171.7623 35 P 4.1952 0.0000 0.0000 65.1388 30.7054 177.4215 36 E 4.1297 7.8118 118.1924 58.3284 29.9755 177.0611 37 C 4.3074 7.9610 112.9668 58.1583 30.6456 173.8303 38 G 3.8863 9.7610 108.2549 46.1438 0.0000 173.6692 39 L 4.0956 7.7592 119.2998 55.2079 42.2095 175.8185 40 V 5.2633 8.0801 121.3537 60.8352 32.9978 174.5816 41 V 4.3059 8.2308 128.2954 61.5061 33.8841 174.2558 42 G 4.2944 8.7311 113.1021 44.2643 0.0000 173.2566 43 D 4.1969 8.6715 114.1183 54.3220 43.5436 174.7883 44 R 3.7145 8.7504 127.5710 56.3976 26.3855 175.6891 45 V 4.0412 8.0312 122.0415 62.0378 32.9520 176.3148 46 I 2.9863 8.6935 110.4939 61.0286 36.3546 171.7389 47 D 4.0520 7.5203 120.7474 55.6632 39.6665 172.4090 48 V 4.3217 8.1640 126.2703 60.9556 35.1931 174.4855 49 G 3.6469 8.9258 114.7142 43.1015 0.0000 172.6379 50 S 3.6231 9.0755 126.1182 58.3612 61.0089 169.9330 51 E 4.5289 8.1263 122.9113 55.0004 31.0480 175.4960 52 W 3.7802 8.4563 117.8409 53.4003 28.3012 173.9615 53 R 3.8747 8.3634 120.5407 57.6583 27.7689 174.6641 54 T 4.7598 7.4903 114.2187 61.9203 72.9118 172.5716 55 F 4.8218 8.2347 116.3639 56.3317 39.8248 171.3813 56 S 3.7228 8.8696 128.0771 57.6143 62.7686 170.3374 57 N 4.8098 8.3891 120.7125 51.7963 41.9002 172.8812 58 D 4.7176 8.4680 118.4646 54.9497 43.2579 175.8682 59 K 4.2052 7.6776 121.0089 56.5480 33.0483 175.8825 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 A 8.26 4.34 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 3 S 8.47 4.64 0.00 3.94 3.87 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 0.00 0.00 0.00 4 T 8.01 4.23 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 5 S 7.79 4.20 0.00 3.83 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 6 R 7.96 3.92 0.00 1.82 1.88 0.00 3.28 0.00 0.00 3.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 7 L 7.25 4.51 0.00 1.66 1.52 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.99 4.31 0.00 2.75 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 9 A 7.39 4.67 1.27 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 0.00 0.00 0.00 10 L 8.02 4.63 0.00 1.74 1.68 0.92 0.67 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 11 P 0.00 4.53 0.00 2.20 2.15 0.00 3.77 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 1.99 2.00 0.00 12 R 8.27 4.08 0.00 1.81 1.90 0.00 3.29 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 13 V 8.45 3.47 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 0.74 0.00 0.00 0.93 0.00 0.00 14 T 8.29 3.32 4.32 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 1.27 0.00 0.00 15 C 7.92 4.37 0.00 3.13 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 16 P 0.00 4.33 0.00 2.20 2.16 0.00 3.76 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 1.97 1.98 0.00 17 N 8.03 4.86 0.00 2.57 2.65 0.00 0.00 6.63 8.12 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 18 H 7.70 4.88 0.00 3.11 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.51 0.00 2.18 2.19 0.00 3.39 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 20 D 8.05 4.33 0.00 2.70 2.77 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 0.00 0.00 0.00 21 A 7.66 4.29 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 22 I 8.35 4.23 1.88 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 1.59 0.64 0.92 0.00 0.00 23 L 6.98 3.84 0.00 1.57 1.64 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 24 V 9.26 4.00 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 1.07 0.00 0.00 1.02 0.00 0.00 25 E 8.64 4.38 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 26 D 8.95 4.90 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.39 4.22 0.00 2.95 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 28 R 9.42 3.26 0.00 1.13 1.64 0.00 3.28 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.00 29 A 7.70 4.51 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 30 G 7.25 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 0.00 0.00 0.00 0.00 31 D 9.04 5.29 0.00 2.73 2.63 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 32 M 9.12 4.87 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 33 I 8.82 5.19 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.45 1.05 0.00 0.00 34 C 8.56 4.60 0.00 3.01 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 35 P 0.00 4.20 0.00 2.20 2.22 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 36 E 7.81 4.13 0.00 1.67 1.12 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 2.15 2.02 0.00 37 C 7.96 4.31 0.00 3.11 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 38 G 9.76 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.76 4.10 0.00 1.73 1.78 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.08 5.26 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 0.94 0.00 0.00 0.07 0.00 0.00 41 V 8.23 4.31 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 0.80 0.00 0.00 0.92 0.00 0.00 42 G 8.73 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 0.00 0.00 0.00 0.00 43 D 8.67 4.20 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.75 3.71 0.00 1.96 1.99 0.00 3.35 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 45 V 8.03 4.04 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 1.05 0.00 0.00 0.94 0.00 0.00 46 I 8.69 2.99 1.88 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 1.30 0.62 0.92 0.00 0.00 47 D 7.52 4.05 0.00 2.83 2.72 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 48 V 8.16 4.32 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 0.86 0.00 0.00 1.02 0.00 0.00 49 G 8.93 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 50 S 9.08 3.62 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.13 4.53 0.00 1.95 1.90 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 2.17 2.25 0.00 52 W 8.46 3.78 0.00 3.43 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 53 R 8.36 3.87 0.00 2.01 2.00 0.00 3.42 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 54 T 7.49 4.76 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 55 F 8.23 4.82 0.00 3.13 2.95 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 56 S 8.87 3.72 0.00 3.84 3.85 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 0.00 0.00 0.00 57 N 8.39 4.81 0.00 2.53 2.60 0.00 0.00 6.80 8.43 0.00 0.00 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 D 8.47 4.72 0.00 2.50 2.52 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 0.00 59 K 7.68 4.21 0.00 1.70 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.37 7.81