NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4849 8.3349 115.3035 57.7581 63.8379 173.4328 8 D 4.6509 8.5102 126.5013 52.9032 41.9479 174.3325 9 F 5.3766 8.8253 116.2250 55.4929 42.0002 173.5708 10 V 4.5500 8.8249 112.7857 59.6681 34.9101 174.9001 11 V 4.7434 8.4899 123.6030 61.6339 33.6848 174.7693 12 I 4.9390 8.8972 127.9829 59.5957 40.6740 174.1881 13 K 4.8883 8.8973 129.7277 54.4695 33.9171 175.2823 14 A 4.4099 8.8826 130.9279 52.1306 19.0661 177.4183 15 L 4.5641 8.7946 122.6064 54.8557 42.4180 176.0971 16 E 4.6542 7.6805 115.4869 54.9899 32.0868 174.5052 17 D 4.4207 8.4595 119.3350 55.7513 41.2549 176.8373 18 G 3.8825 8.7170 108.9836 46.2110 0.0000 174.1605 19 V 3.9339 7.5865 119.8171 62.8470 32.9678 174.5699 20 N 5.4032 9.0279 123.8109 51.3919 42.0277 173.5215 21 V 4.5126 8.8493 124.1506 61.4193 33.7202 174.0441 22 I 4.6883 9.0241 130.1811 59.3469 39.7824 174.9934 23 G 4.2525 8.6147 114.2961 44.6127 0.0000 172.3443 24 L 5.5960 8.9649 126.0201 52.9728 44.1324 176.3106 25 T 4.5881 8.4928 113.9548 61.8686 69.3099 174.0818 26 R 4.1699 8.0670 126.2945 55.9438 30.7477 176.8122 27 G 3.7392 8.6283 111.8201 44.3812 0.0000 172.4888 28 A 4.0987 8.4460 122.4352 54.3401 18.6878 177.8609 29 D 4.9182 7.8329 113.9967 52.9737 43.0421 175.9714 30 T 4.7213 8.3045 118.2534 62.0689 70.9914 173.1538 31 R 4.5827 8.4795 122.7637 54.7169 33.8589 173.6308 32 F 5.4550 8.5222 117.9456 57.5265 39.2282 175.7957 33 H 4.9796 8.7004 117.9955 56.0056 30.4124 173.9397 34 H 4.6032 7.6116 117.0224 55.2543 33.2808 172.1297 35 S 4.7873 8.4014 120.3334 56.4554 64.1040 172.5289 36 E 4.3108 8.6761 130.0636 55.0106 30.5658 175.0004 37 K 4.7932 8.5857 128.8994 55.8002 33.6513 175.6048 38 L 4.9791 9.3624 127.6190 53.1295 44.9562 175.9763 39 D 4.9504 9.0113 123.3990 52.5659 43.1007 175.9839 40 K 3.9181 8.6282 121.6723 58.6407 32.3631 176.8700 41 G 4.0369 9.0738 115.3719 45.1958 0.0000 173.6388 42 E 4.2612 8.1359 119.4204 56.2492 30.7413 176.1118 43 V 4.8724 8.2947 121.8999 61.0163 34.4496 174.2552 44 L 4.8139 8.9172 128.7950 53.2452 45.1588 175.0237 45 I 4.9977 8.4309 125.4524 59.5640 39.7342 174.6501 46 A 4.7052 9.1204 129.0402 50.1956 22.1594 175.1165 47 Q 4.9261 8.6017 120.5895 54.5732 30.8884 175.5417 48 F 4.6316 8.5371 120.5743 57.8537 40.2210 175.3073 49 T 4.7171 9.0101 111.8973 60.0317 71.9045 173.9421 50 E 3.9990 8.9004 120.9314 59.2653 29.6739 177.3101 51 H 4.6805 8.3057 114.5701 56.1237 29.9034 174.2412 52 T 5.7572 8.0249 115.5229 60.7948 70.9616 174.3729 53 S 5.0837 8.9505 119.1683 57.8435 65.2614 173.2748 54 A 5.0242 7.9734 121.5350 51.3646 22.4079 175.2116 55 I 4.9202 8.7120 122.9279 59.2683 40.0246 174.9722 56 K 4.6141 9.2173 127.1753 54.4755 35.4299 174.6763 57 V 4.7235 8.3950 125.9837 61.2059 33.7712 174.4869 58 R 4.5010 8.6596 127.2393 55.3869 32.5117 175.8730 59 G 3.9715 8.9681 109.1088 43.6716 0.0000 172.6339 60 K 4.4571 9.0835 119.8038 56.6195 32.7449 175.5562 61 A 5.1421 8.9021 128.7029 50.7275 23.6462 173.6158 62 Y 4.7747 8.9633 121.0243 56.1030 40.8523 174.5168 63 I 5.0751 8.5280 127.8423 59.5912 40.5106 174.5714 64 Q 5.2147 8.8512 125.0689 54.4338 31.9665 174.7762 65 T 4.6939 8.5904 112.0064 59.6599 72.5417 174.4355 66 R 3.6658 8.5707 120.9563 59.5738 29.7607 176.4324 67 H 4.6602 7.6328 112.2344 55.0785 29.6868 173.7684 68 G 3.7906 7.3809 105.9836 44.1423 0.0000 172.8625 69 V 4.6881 8.0815 112.9660 59.9469 33.6886 175.4818 70 I 4.6268 8.3011 122.8477 59.4292 42.0748 173.2699 71 E 5.1894 8.6017 125.8425 54.4727 31.9157 175.8174 72 S 4.6109 8.6768 119.4389 57.7551 65.0747 172.9229 73 E 4.9253 8.6251 121.0896 54.5796 32.4252 176.3292 74 G 3.9090 8.6511 112.8974 44.0613 0.0000 173.7588 75 K 4.0343 8.5829 117.4140 56.9163 32.0353 177.2189 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 7 S 8.33 4.48 0.00 3.91 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 8 D 8.51 4.65 0.00 2.84 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 9 F 8.83 5.38 0.00 3.08 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 10 V 8.82 4.55 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 0.63 0.00 0.00 0.92 0.00 0.00 11 V 8.49 4.74 2.17 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 1.08 0.00 0.00 1.17 0.00 0.00 12 I 8.90 4.94 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.91 0.00 0.00 13 K 8.90 4.89 0.00 1.91 1.80 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.88 4.41 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 15 L 8.79 4.56 0.00 1.72 1.73 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.65 0.00 2.03 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 2.19 2.31 0.00 17 D 8.46 4.42 0.00 2.69 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 18 G 8.72 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 0.00 0.00 0.00 19 V 7.59 3.93 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 0.97 0.00 0.00 1.06 0.00 0.00 20 N 9.03 5.40 0.00 2.62 2.56 0.00 0.00 6.41 7.21 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 21 V 8.85 4.51 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 22 I 9.02 4.69 1.39 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.30 -0.25 0.00 0.00 23 G 8.61 4.25 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 0.00 24 L 8.96 5.60 0.00 1.83 1.72 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.49 4.59 4.31 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 0.00 0.00 0.00 1.33 0.00 0.00 26 R 8.07 4.17 0.00 1.89 2.01 0.00 3.20 0.00 0.00 3.09 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 27 G 8.63 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 28 A 8.45 4.10 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 29 D 7.83 4.92 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.72 4.25 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 1.27 0.00 0.00 31 R 8.48 4.58 0.00 1.76 1.92 0.00 2.87 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 32 F 8.52 5.45 0.00 2.91 2.87 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 33 H 8.70 4.98 0.00 3.16 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.61 4.60 0.00 3.31 3.11 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.40 4.79 0.00 3.78 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 36 E 8.68 4.31 0.00 2.21 1.79 0.00 0.00 0.00 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 2.29 0.00 37 K 8.59 4.79 0.00 1.78 1.66 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 9.36 4.98 0.00 1.51 1.51 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.01 4.95 0.00 2.61 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 40 K 8.63 3.92 0.00 1.81 1.74 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 41 G 9.07 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 0.00 0.00 0.00 0.00 42 E 8.14 4.26 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 2.32 2.36 0.00 43 V 8.29 4.87 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 0.94 0.00 0.00 44 L 8.92 4.81 0.00 1.75 1.45 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.43 5.00 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.68 0.00 0.00 46 A 9.12 4.71 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 47 Q 8.60 4.93 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.90 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 48 F 8.54 4.63 0.00 3.04 3.01 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 49 T 9.01 4.72 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 1.26 0.00 0.00 50 E 8.90 4.00 0.00 1.91 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 2.17 2.29 0.00 51 H 8.31 4.68 0.00 3.26 3.21 0.00 5.80 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 52 T 8.02 5.76 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 1.36 0.00 0.00 53 S 8.95 5.08 0.00 3.88 4.10 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 54 A 7.97 5.02 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 I 8.71 4.92 1.80 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.82 0.00 0.00 56 K 9.22 4.61 0.00 1.70 1.41 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.34 7.81 57 V 8.39 4.72 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 8.66 4.50 0.00 1.75 1.78 0.00 3.07 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 59 G 8.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.08 4.46 0.00 2.04 1.75 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.90 5.14 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 62 Y 8.96 4.77 0.00 3.07 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 63 I 8.53 5.08 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.91 0.00 0.00 64 Q 8.85 5.21 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 65 T 8.59 4.69 4.13 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 1.17 0.00 0.00 66 R 8.57 3.67 0.00 1.60 1.79 0.00 3.19 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 67 H 7.63 4.66 0.00 3.11 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.08 4.69 1.65 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 0.56 0.00 0.00 0.86 0.00 0.00 70 I 8.30 4.63 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.30 0.85 0.00 0.00 71 E 8.60 5.19 0.00 1.83 1.83 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 2.40 2.10 0.00 72 S 8.68 4.61 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.63 4.93 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 74 G 8.65 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 0.00 0.00 0.00 75 K 8.58 4.03 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.41 7.81