NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3388 8.1744 110.9435 61.2617 70.6146 173.5076 6 N 4.7478 7.9381 120.1846 53.2031 39.2505 173.2000 7 S 4.4654 8.1305 112.1912 57.3872 64.8856 172.7892 8 D 4.8571 8.4769 121.8538 54.4721 42.4660 174.3817 9 F 5.3552 7.8177 115.1143 55.3459 41.3541 173.9635 10 V 4.5771 8.9132 112.7883 59.5784 35.2850 174.7579 11 V 4.8506 8.5682 123.2170 61.3106 34.0376 174.4510 12 I 4.9323 9.1195 128.3615 59.3835 40.8362 174.0881 13 K 5.0685 9.1944 129.0070 54.1839 34.3207 175.1239 14 A 4.3820 8.6907 130.4564 52.4099 19.1783 177.3924 15 L 4.7861 9.0006 121.6920 54.5030 42.6192 176.0214 16 E 4.6912 7.6968 115.4320 54.8501 32.2096 174.5275 17 D 4.4304 8.3460 119.7731 55.8476 41.3352 177.0150 18 G 3.8981 8.7243 110.8860 45.1733 0.0000 173.7127 19 V 3.8662 7.6219 120.0490 62.9866 32.8593 174.3625 20 N 5.2856 9.2150 125.4795 51.5781 41.0930 173.6985 21 V 4.4511 8.6442 125.2749 61.4255 33.3924 174.3600 22 I 4.4961 8.7082 130.1528 59.3405 39.6200 175.0622 23 G 4.0886 8.7740 115.5685 45.1363 0.0000 172.7607 24 L 5.2785 8.8769 127.1037 53.7950 43.5081 176.6907 25 T 4.5064 8.6917 113.9595 61.6696 69.3513 174.3203 26 R 4.4225 7.9877 125.8469 57.1233 30.8610 175.0504 27 G 3.7877 8.7877 109.1461 44.2293 0.0000 173.0655 28 A 4.0604 8.7124 121.3924 54.6036 18.6856 177.8545 29 D 4.8114 7.8171 113.8181 53.4345 42.5028 176.3284 30 T 4.5257 8.2384 121.9127 61.1359 68.9523 172.8487 31 R 4.7135 8.5661 122.6457 53.4185 32.7172 175.4846 32 F 5.0636 8.5571 116.9545 57.8178 39.3938 175.2692 33 H 5.0051 8.9643 120.4668 56.3958 30.5358 174.1418 34 H 4.8287 7.5984 117.5945 54.7536 33.4478 171.9426 35 S 4.7462 8.2079 119.2102 56.4266 64.5067 172.3920 36 E 4.4599 8.9097 129.6070 54.7420 31.0080 174.7343 37 K 4.7879 8.6000 126.8449 55.6041 33.4802 176.0872 38 L 4.9687 9.1272 124.9708 53.1303 44.9161 175.8070 39 D 5.0448 9.2328 122.9115 52.1341 43.6843 175.9906 40 K 3.9860 8.6564 121.7450 58.5501 32.3340 176.9020 41 G 4.0439 9.0059 115.4645 45.1863 0.0000 173.5959 42 E 4.2280 8.1272 119.5516 56.2965 30.7534 176.0408 43 V 4.8672 8.3096 122.3912 60.9961 34.2450 174.2608 44 L 4.7447 9.1584 129.6474 53.2616 44.8492 174.7729 45 I 5.0341 8.4766 126.5521 59.5631 39.2650 174.8455 46 A 4.6700 9.1629 129.1439 50.2161 22.1173 175.2652 47 Q 4.8111 8.6557 121.0572 54.9694 30.3996 175.8427 48 F 4.6022 8.5303 120.5315 58.0378 40.0624 175.1774 49 T 4.6756 8.9629 110.9963 60.3223 71.8277 173.9003 50 E 3.8646 8.9056 121.0962 59.4634 29.6537 177.4712 51 H 4.5682 7.7263 112.0395 56.4694 29.7093 174.4056 52 T 5.4874 8.2326 116.1065 60.8042 71.3920 174.4336 53 S 5.0150 9.0561 119.4961 57.9604 64.9782 173.2299 54 A 5.1926 7.9639 121.5600 50.9935 22.6709 175.1202 55 I 4.9714 8.5925 120.6274 59.3173 40.6964 174.7492 56 K 4.5780 8.9496 127.9105 54.5111 34.8063 174.5672 57 V 4.7863 8.4188 126.8757 61.2280 33.4145 174.6324 58 R 4.5424 9.1273 127.1043 55.5062 32.8900 176.1452 59 G 4.0721 9.0075 109.0770 44.0440 0.0000 172.5058 60 K 4.5110 9.7052 120.7697 56.2299 33.0119 175.6225 61 A 5.0681 8.7656 127.6017 51.0438 23.4453 173.6891 62 Y 5.0361 9.0719 121.3468 55.9611 41.3629 174.6241 63 I 4.9266 8.1190 126.8139 59.5120 40.9841 174.2453 64 Q 5.0300 8.8704 125.9561 54.2919 31.8819 174.9157 65 T 4.9189 8.5691 112.7426 59.5661 72.4640 174.5654 66 R 3.7593 8.5681 120.5505 59.3547 29.8957 176.4805 67 H 4.7185 8.3580 112.7940 55.1034 29.2936 174.1173 68 G 3.7387 6.8959 106.6618 44.1095 0.0000 173.2970 69 V 4.7470 7.6894 112.2963 60.0084 34.6210 175.1720 70 I 4.2954 7.8294 119.9373 60.3691 41.9172 172.6033 71 E 5.2727 8.7289 126.9101 54.5494 31.6724 176.0664 72 S 4.5751 8.7918 119.1766 58.0931 64.9675 172.9183 73 E 4.9140 8.7216 119.8971 54.5540 32.9788 176.2544 74 G 3.7077 8.4883 110.6737 45.8419 0.0000 172.3441 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 8.17 4.34 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 1.22 0.00 0.00 6 N 7.94 4.75 0.00 2.77 2.84 0.00 0.00 7.11 6.75 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 7 S 8.13 4.47 0.00 4.10 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 8 D 8.48 4.86 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 5.36 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 10 V 8.91 4.58 2.02 0.00 0.00 0.00 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 0.85 0.00 0.00 11 V 8.57 4.85 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 1.12 0.00 0.00 1.17 0.00 0.00 12 I 9.12 4.93 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.47 0.91 0.00 0.00 13 K 9.19 5.07 0.00 1.89 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 14 A 8.69 4.38 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.79 0.00 1.60 1.71 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.69 0.00 2.03 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 2.35 2.33 0.00 17 D 8.35 4.43 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 3.90 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 19 V 7.62 3.87 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 0.82 0.00 0.00 1.01 0.00 0.00 20 N 9.22 5.29 0.00 2.62 2.59 0.00 0.00 6.24 7.75 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 21 V 8.64 4.45 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.89 0.00 0.00 22 I 8.71 4.50 1.49 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.27 -0.29 0.00 0.00 23 G 8.77 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.88 5.28 0.00 1.91 1.70 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.69 4.51 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 1.38 0.00 0.00 26 R 7.99 4.42 0.00 1.87 1.96 0.00 3.20 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.79 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 28 A 8.71 4.06 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 7.82 4.81 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 8.24 4.53 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 1.28 0.00 0.00 31 R 8.57 4.71 0.00 1.95 2.03 0.00 2.79 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 F 8.56 5.06 0.00 2.98 2.91 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 33 H 8.96 5.01 0.00 3.14 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.60 4.83 0.00 3.24 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 4.75 0.00 3.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 4.46 0.00 2.16 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 2.24 2.31 0.00 37 K 8.60 4.79 0.00 1.64 1.71 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.49 7.81 38 L 9.13 4.97 0.00 1.50 1.52 0.92 0.91 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 D 9.23 5.04 0.00 2.57 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 8.66 3.99 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 9.01 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 8.13 4.23 0.00 2.01 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 2.44 0.00 43 V 8.31 4.87 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.16 4.74 0.00 1.71 1.45 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 5.03 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 0.66 0.00 0.00 46 A 9.16 4.67 1.10 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 0.00 0.00 47 Q 8.66 4.81 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.53 4.60 0.00 3.02 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 49 T 8.96 4.68 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 1.30 0.00 0.00 50 E 8.91 3.86 0.00 1.90 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 2.05 2.26 0.00 51 H 7.73 4.57 0.00 3.27 3.16 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 8.23 5.49 4.36 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 1.41 0.00 0.00 53 S 9.06 5.02 0.00 3.82 4.07 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 54 A 7.96 5.19 1.29 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 55 I 8.59 4.97 1.86 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.89 0.00 0.00 56 K 8.95 4.58 0.00 1.80 1.54 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 57 V 8.42 4.79 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.13 4.54 0.00 1.73 1.78 0.00 3.17 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 59 G 9.01 4.07 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 0.00 0.00 0.00 60 K 9.71 4.51 0.00 1.90 1.72 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.77 5.07 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 62 Y 9.07 5.04 0.00 3.06 2.82 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 63 I 8.12 4.93 1.84 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 1.17 0.53 0.83 0.00 0.00 64 Q 8.87 5.03 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 65 T 8.57 4.92 4.14 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 1.16 0.00 0.00 66 R 8.57 3.76 0.00 1.58 1.73 0.00 3.10 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 67 H 8.36 4.72 0.00 3.19 3.25 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 6.90 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 69 V 7.69 4.75 1.84 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 0.70 0.00 0.00 0.98 0.00 0.00 70 I 7.83 4.30 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.85 0.00 0.00 71 E 8.73 5.27 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 2.42 2.39 0.00 72 S 8.79 4.58 0.00 3.92 3.98 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 73 E 8.72 4.91 0.00 1.83 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 2.21 2.29 0.00 74 G 8.49 3.71 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 0.00 0.00 0.00