NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2808 8.0333 115.2354 61.5052 68.4663 174.6035 6 D 4.2196 8.5608 124.6759 56.2077 40.8999 176.5246 7 N 4.3689 8.9800 118.7160 55.6477 40.1088 174.4674 8 N 4.6463 7.5298 114.7961 51.0157 39.9558 173.2666 9 P 3.8288 0.0000 0.0000 62.5295 32.1754 176.3014 10 T 4.6213 7.7099 114.4459 59.0824 71.5953 173.1420 11 P 4.2567 0.0000 0.0000 66.0108 31.1088 178.4521 12 E 3.9130 8.3882 118.0223 59.2130 29.4649 178.9828 13 A 4.0776 7.9905 120.1817 55.2993 18.3290 179.6265 14 V 3.8171 8.1249 116.4376 66.2149 31.7437 177.9598 15 A 4.0295 8.2842 120.6253 55.3186 18.2093 179.2884 16 D 4.3166 8.2253 117.2292 57.5036 40.9709 178.8263 17 L 3.9126 8.1124 120.6754 58.1002 42.1077 178.8095 18 K 3.8538 8.3929 118.8459 59.6392 31.9941 179.1046 19 K 3.9446 7.9055 119.3206 59.2516 32.1433 178.8423 20 K 3.8716 8.1264 119.9604 59.4634 32.0618 178.9058 21 V 3.4964 8.1645 118.9264 65.9425 31.2053 177.9326 22 R 3.8280 8.0095 118.3368 59.4426 29.8501 178.5977 23 K 3.9255 7.9786 118.2931 59.4403 31.9669 179.1215 24 L 3.9137 7.9670 120.6278 57.8738 41.8859 178.4177 25 N 4.1895 8.3766 117.4831 56.6016 38.9368 177.0738 26 S 4.0731 7.7456 116.5176 61.5572 63.0710 176.8381 27 K 3.9594 7.8322 120.7286 59.1282 31.6716 179.3651 28 A 3.6666 8.2231 121.6796 55.0174 18.2150 179.6522 29 G 3.8315 8.1503 104.4210 48.3962 0.0000 175.8108 30 Q 4.0410 7.9016 119.5919 59.1213 28.6610 178.7444 31 M 4.1564 8.0209 119.3874 57.9130 31.9059 178.5268 32 K 3.9703 8.6606 120.4171 60.0126 32.3335 178.4337 33 M 4.0670 8.2446 118.2288 58.8346 32.1069 177.9048 34 D 4.3748 8.2757 119.0961 57.1866 40.9370 178.5497 35 L 3.9741 8.3994 121.3737 58.1786 42.0449 178.2798 36 H 4.0758 8.6072 118.6599 59.6483 29.8015 176.9403 37 D 4.3657 8.5061 120.8088 57.0542 40.3557 178.3913 38 L 3.8771 7.9114 119.9235 58.1929 42.4657 178.5305 39 A 4.1256 8.0647 120.4610 55.3320 18.1399 179.0876 40 E 3.9485 8.2506 116.8606 59.3463 29.8259 178.6910 41 G 3.7582 8.1461 103.9881 44.7197 0.0000 173.5314 42 L 4.1745 7.0661 121.3252 54.7632 42.3976 175.8517 43 P 4.5413 0.0000 0.0000 64.4047 32.0218 176.4875 44 T 4.0118 7.3146 116.8594 65.4585 68.8548 173.4384 45 D 4.4658 8.8842 124.1896 55.7578 38.4106 175.6651 46 Y 4.2907 7.6481 120.3616 60.0812 37.5646 177.3802 47 E 4.0368 7.5250 119.1105 58.6641 29.8764 177.7495 48 N 4.6272 7.9426 115.3673 53.7303 38.7549 176.8193 49 L 3.9659 7.7810 121.7844 58.0569 41.7502 179.5821 50 V 3.5790 7.7253 117.2740 65.8416 31.5881 177.3488 51 E 3.9330 8.1587 118.5631 59.7068 29.5358 178.7945 52 T 3.8692 7.9434 115.3889 66.6187 68.4966 176.4695 53 A 4.0524 8.3536 123.0396 55.1140 18.3954 179.2271 54 E 3.9612 8.5774 118.1377 59.3502 29.6599 178.9187 55 K 3.9686 8.1284 119.5835 59.8972 32.2630 178.8370 56 T 3.9940 8.0476 115.9370 66.8216 68.3644 175.8990 57 Y 4.2020 8.5406 121.8238 60.9188 38.7830 178.1214 58 E 3.6884 8.3443 119.3756 59.2863 29.4764 179.2317 59 I 3.5421 7.5412 118.3490 64.1515 37.9843 178.0481 60 F 3.9297 8.1613 118.6451 60.1752 38.6206 177.7403 61 R 3.7026 8.0829 119.0220 59.2507 29.8699 178.1701 62 E 3.8095 8.1166 119.2005 59.1346 29.5536 178.3833 63 L 3.8336 8.0355 120.7099 58.2096 42.0232 178.5440 64 D 4.2657 8.3111 118.0667 57.4043 41.1318 178.0377 65 Q 3.9353 8.1252 118.6116 59.1440 28.7269 179.1344 66 L 3.8082 7.9141 119.7868 57.4190 41.6528 179.6273 67 K 3.8742 8.1572 118.6550 59.3995 32.0210 179.4825 68 K 3.9221 8.1249 118.7787 59.2075 31.9524 179.1903 69 K 3.6705 8.0187 119.9615 59.2991 31.9834 178.3094 70 L 3.7208 7.9629 120.7761 58.2773 41.9642 178.5927 71 N 4.3222 8.1036 116.0969 56.5335 38.3023 177.3851 72 I 3.7841 7.5268 119.5720 64.1608 37.2755 178.2497 73 W 4.5003 8.6478 118.7732 60.0041 29.0454 177.8560 74 E 4.0897 8.4017 117.6523 58.4549 29.0734 177.1040 75 E 4.1476 8.2449 119.8722 56.6875 31.1369 173.8935 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 T 8.03 4.28 4.21 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 1.18 0.00 0.00 6 D 8.56 4.22 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.98 4.37 0.00 2.64 2.79 0.00 0.00 7.16 8.03 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 8 N 7.53 4.65 0.00 2.67 2.60 0.00 0.00 7.03 8.13 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 9 P 0.00 3.83 0.00 1.75 0.91 0.00 3.40 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.02 0.00 10 T 7.71 4.62 4.17 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 0.00 0.00 0.00 1.11 0.00 0.00 11 P 0.00 4.26 0.00 2.30 2.31 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 12 E 8.39 3.91 0.00 2.07 2.04 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 2.33 2.38 0.00 13 A 7.99 4.08 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 14 V 8.12 3.82 2.30 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 1.18 0.00 0.00 1.18 0.00 0.00 15 A 8.28 4.03 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.23 4.32 0.00 2.99 2.79 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 17 L 8.11 3.91 0.00 1.79 1.87 0.63 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.39 3.85 0.00 2.03 1.87 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.71 7.81 19 K 7.91 3.94 0.00 2.02 2.02 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 20 K 8.13 3.87 0.00 1.85 1.93 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.40 7.81 21 V 8.16 3.50 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 0.97 0.00 0.00 0.88 0.00 0.00 22 R 8.01 3.83 0.00 1.91 2.02 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 23 K 7.98 3.93 0.00 1.82 1.81 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.55 7.81 24 L 7.97 3.91 0.00 1.80 1.68 0.86 0.46 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 25 N 8.38 4.19 0.00 2.84 2.87 0.00 0.00 7.15 8.50 0.00 0.00 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 S 7.75 4.07 0.00 4.01 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 27 K 7.83 3.96 0.00 1.79 1.77 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.54 7.81 28 A 8.22 3.67 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.90 4.04 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 31 M 8.02 4.16 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 32 K 8.66 3.97 0.00 2.12 2.19 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 33 M 8.24 4.07 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.64 0.00 34 D 8.28 4.37 0.00 2.90 2.73 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 35 L 8.40 3.97 0.00 1.79 1.84 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.61 4.08 0.00 3.23 3.55 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.51 4.37 0.00 2.75 2.73 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 38 L 7.91 3.88 0.00 1.73 1.92 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.06 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.95 0.00 1.84 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 0.00 2.31 2.31 0.00 41 G 8.15 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 0.00 0.00 0.00 42 L 7.07 4.17 0.00 1.76 1.67 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.54 0.00 2.36 2.33 0.00 3.74 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 2.12 2.02 0.00 44 T 7.31 4.01 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 1.21 0.00 0.00 45 D 8.88 4.47 0.00 2.88 2.76 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 Y 7.65 4.29 0.00 3.18 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.53 4.04 0.00 1.74 1.94 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 2.06 1.59 0.00 48 N 7.94 4.63 0.00 2.87 2.84 0.00 0.00 6.81 6.78 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 49 L 7.78 3.97 0.00 1.84 1.77 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.73 3.58 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 1.12 0.00 0.00 0.95 0.00 0.00 51 E 8.16 3.93 0.00 2.08 1.95 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 2.39 2.42 0.00 52 T 7.94 3.87 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 53 A 8.35 4.05 1.40 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 0.00 0.00 0.00 54 E 8.58 3.96 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 55 K 8.13 3.97 0.00 2.11 2.01 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 56 T 8.05 3.99 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 57 Y 8.54 4.20 0.00 3.09 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 58 E 8.34 3.69 0.00 2.18 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 2.79 2.54 0.00 59 I 7.54 3.54 1.78 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.73 0.93 0.00 0.00 60 F 8.16 3.93 0.00 3.08 3.03 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 0.00 0.00 0.00 0.00 61 R 8.08 3.70 0.00 1.10 1.68 0.00 3.04 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 62 E 8.12 3.81 0.00 1.98 1.92 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 2.22 2.25 0.00 63 L 8.04 3.83 0.00 1.66 1.69 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.31 4.27 0.00 2.97 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 65 Q 8.13 3.94 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 66 L 7.91 3.81 0.00 1.72 1.55 0.82 0.56 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 67 K 8.16 3.87 0.00 1.93 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.53 7.81 68 K 8.12 3.92 0.00 1.87 1.82 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 69 K 8.02 3.67 0.00 1.66 1.50 0.00 1.49 0.00 0.00 1.34 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.06 7.81 70 L 7.96 3.72 0.00 1.64 1.76 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.10 4.32 0.00 2.93 2.87 0.00 0.00 7.10 6.78 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 72 I 7.53 3.78 2.06 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 1.57 0.49 1.06 0.00 0.00 73 W 8.65 4.50 0.00 3.37 3.24 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 74 E 8.40 4.09 0.00 2.17 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 0.00 2.43 2.60 0.00 75 E 8.24 4.15 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00