NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3498 8.1744 110.9432 61.3761 70.4129 173.5117 6 N 4.7770 7.9169 119.3791 53.3799 39.3031 173.6070 7 S 4.4964 8.7755 113.2669 57.6982 65.0625 173.5604 8 D 4.7902 8.5895 121.6453 54.9781 41.7851 175.4749 9 F 5.3935 7.9719 114.4451 55.5110 41.5797 173.8604 10 V 4.6000 8.9423 112.3366 59.5559 35.4014 174.8238 11 V 4.7894 8.6507 123.5868 61.3448 33.8990 174.4755 12 I 4.9265 8.9817 128.4928 59.3475 40.8126 174.1067 13 K 5.0874 9.1333 128.6993 54.2278 34.6211 175.0005 14 A 4.4539 8.9361 130.3425 52.1983 19.2286 177.4196 15 L 4.7327 9.0602 121.7395 54.4780 42.6084 175.8855 16 E 4.6642 7.6312 115.4665 55.1394 32.0726 174.5103 17 D 4.4779 8.3572 119.4296 55.6043 41.3730 176.9711 18 G 3.8802 8.0493 106.9301 45.5106 0.0000 173.8632 19 V 3.8802 7.5526 119.7465 62.9490 32.8245 174.5223 20 N 5.2909 9.0551 124.8012 51.4671 41.4238 173.6086 21 V 4.5019 8.8558 124.7640 61.3794 33.6169 174.1732 22 I 4.5042 8.5918 130.3215 59.3328 39.4908 175.1853 23 G 4.0316 8.6912 115.5235 45.4067 0.0000 172.5935 24 L 5.3195 9.1115 126.6182 53.4633 43.8556 176.4014 25 T 4.6201 8.6599 113.9854 61.5576 69.3294 174.3564 26 R 4.2906 8.0255 126.4761 56.8934 30.4613 175.1829 27 G 3.7567 8.9616 109.6688 43.7961 0.0000 173.8670 28 A 4.0517 8.6027 121.5645 54.5137 18.5313 177.6497 29 D 4.7500 7.2537 111.1055 53.1877 42.4731 176.2546 30 T 4.5381 8.3035 121.4707 61.7448 69.9765 173.0272 31 R 4.8356 8.6349 122.3544 54.0665 33.8251 174.3212 32 F 5.1499 8.8174 118.6754 58.0737 38.9641 175.2466 33 H 4.9865 8.8906 117.9234 56.4129 30.6201 174.0229 34 H 4.6865 7.5781 116.9774 54.9984 33.2890 172.2159 35 S 4.6835 8.2231 119.7025 56.3460 64.3181 172.6074 36 E 4.2830 9.1722 130.3077 55.3917 30.6081 175.2448 37 K 4.8665 8.5978 126.8916 55.6182 33.5726 176.1077 38 L 4.9748 9.1794 124.8070 53.0954 44.8752 175.9047 39 D 4.9950 9.0902 123.0402 52.4878 43.2080 176.0257 40 K 3.9540 8.9344 122.3004 58.5561 32.4286 176.4667 41 G 4.0935 9.0518 114.9750 45.3332 0.0000 173.8066 42 E 4.1845 8.1316 119.1136 56.4573 30.7123 176.2804 43 V 4.8861 8.3099 122.1795 60.9989 34.3231 174.1735 44 L 4.7360 9.1711 129.7702 53.2555 44.7199 174.7849 45 I 5.0207 8.4485 126.4341 59.5840 39.2167 174.7485 46 A 4.7039 8.9641 129.0491 50.1191 22.0243 175.2668 47 Q 4.8422 8.6299 120.7478 54.9998 30.3384 175.9066 48 F 4.7108 8.5434 120.5539 58.1767 39.8608 175.0199 49 T 4.6722 8.7078 111.0680 60.3372 71.8540 173.0925 50 E 4.0301 8.9246 121.3184 59.6581 29.6570 177.5741 51 H 4.4233 8.1721 114.6998 57.0784 29.6309 174.4010 52 T 5.6505 8.5752 116.6179 61.0568 70.6986 174.6983 53 S 4.9685 9.0683 119.8697 58.1199 65.2033 173.3062 54 A 5.1843 7.9503 121.4664 51.0145 22.7584 175.0310 55 I 4.9776 8.5109 120.0495 59.4116 40.5856 174.7030 56 K 4.5827 9.0194 128.7098 54.5124 34.6862 174.7217 57 V 4.7990 8.3787 126.4978 61.2003 33.6208 174.5473 58 R 4.5558 9.1306 127.1260 55.5807 32.8892 176.3451 59 G 4.1203 9.0289 108.8282 44.2154 0.0000 172.3761 60 K 4.5789 9.3370 120.6322 55.9277 33.0376 175.5560 61 A 5.0905 8.8545 128.0502 50.9399 23.3968 173.6679 62 Y 5.1719 9.1622 121.4691 55.9617 41.3987 174.6674 63 I 4.9107 8.1303 126.7059 59.5050 41.2103 174.1694 64 Q 4.9946 8.8508 125.8820 54.2799 31.7984 174.9025 65 T 4.7989 8.4386 112.7761 59.3598 72.4385 174.5248 66 R 3.7177 8.5733 120.7906 59.6862 29.7459 176.5138 67 H 4.6411 8.5308 112.1794 55.7682 29.6697 175.4818 68 G 3.6996 6.4989 106.6021 44.3941 0.0000 172.7734 69 V 4.8317 7.6827 113.2481 60.0109 34.8067 175.0140 70 I 4.4618 7.9510 120.6972 60.2529 41.9044 172.7988 71 E 5.2896 8.6465 125.8591 54.4759 32.2503 176.1671 72 S 4.6885 8.8328 119.2397 58.0429 64.9107 172.8614 73 E 4.9024 8.5700 117.9371 54.6414 32.8871 175.6466 74 G 3.7421 8.6182 108.6954 45.8302 0.0000 173.6291 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 4.35 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 7.92 4.78 0.00 2.80 2.85 0.00 0.00 7.17 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 8.78 4.50 0.00 4.07 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 8 D 8.59 4.79 0.00 2.78 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 9 F 7.97 5.39 0.00 2.94 2.97 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 10 V 8.94 4.60 2.01 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 0.59 0.00 0.00 0.87 0.00 0.00 11 V 8.65 4.79 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 1.15 0.00 0.00 1.13 0.00 0.00 12 I 8.98 4.93 1.85 0.00 0.00 0.80 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 0.45 0.90 0.00 0.00 13 K 9.13 5.09 0.00 1.88 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.94 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.06 4.73 0.00 1.64 1.71 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.63 4.66 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 2.32 0.00 17 D 8.36 4.48 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 8.05 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 7.55 3.88 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 0.97 0.00 0.00 1.05 0.00 0.00 20 N 9.06 5.29 0.00 2.61 2.60 0.00 0.00 6.27 7.19 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 21 V 8.86 4.50 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 0.71 0.00 0.00 0.89 0.00 0.00 22 I 8.59 4.50 1.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.40 -0.60 0.00 0.00 23 G 8.69 4.03 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 0.00 0.00 0.00 24 L 9.11 5.32 0.00 1.83 1.70 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.66 4.62 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 8.03 4.29 0.00 1.87 1.97 0.00 3.23 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.96 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 28 A 8.60 4.05 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 7.25 4.75 0.00 2.67 2.58 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 30 T 8.30 4.54 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 8.63 4.84 0.00 1.84 2.11 0.00 2.80 0.00 0.00 3.54 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 32 F 8.82 5.15 0.00 2.85 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 33 H 8.89 4.99 0.00 3.16 3.49 0.00 5.79 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 7.58 4.69 0.00 3.25 3.01 0.00 5.80 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 8.22 4.68 0.00 3.70 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 9.17 4.28 0.00 2.13 1.78 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 2.28 2.32 0.00 37 K 8.60 4.87 0.00 1.64 1.71 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.57 7.81 38 L 9.18 4.97 0.00 1.50 1.52 0.91 0.93 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 39 D 9.09 4.99 0.00 2.60 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 40 K 8.93 3.95 0.00 1.66 1.75 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.31 7.81 41 G 9.05 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 42 E 8.13 4.18 0.00 2.06 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 2.33 2.35 0.00 43 V 8.31 4.89 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 9.17 4.74 0.00 1.71 1.45 0.90 0.86 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 8.45 5.02 1.73 0.00 0.00 0.80 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 0.76 0.73 0.00 0.00 46 A 8.96 4.70 1.11 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.63 4.84 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 F 8.54 4.71 0.00 3.03 2.97 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 49 T 8.71 4.67 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 50 E 8.92 4.03 0.00 1.94 1.99 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 0.00 2.13 2.29 0.00 51 H 8.17 4.42 0.00 3.24 3.15 0.00 5.80 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 52 T 8.58 5.65 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 1.33 0.00 0.00 53 S 9.07 4.97 0.00 3.83 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 54 A 7.95 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.51 4.98 1.81 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.81 0.00 0.00 56 K 9.02 4.58 0.00 1.80 1.54 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 57 V 8.38 4.80 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 0.89 0.00 0.00 58 R 9.13 4.56 0.00 1.75 1.79 0.00 3.18 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 59 G 9.03 4.12 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 0.00 0.00 0.00 60 K 9.34 4.58 0.00 1.84 1.72 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 A 8.85 5.09 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 62 Y 9.16 5.17 0.00 3.04 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 8.13 4.91 1.83 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 1.16 0.45 0.81 0.00 0.00 64 Q 8.85 4.99 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 65 T 8.44 4.80 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 1.15 0.00 0.00 66 R 8.57 3.72 0.00 1.56 1.68 0.00 3.30 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 67 H 8.53 4.64 0.00 3.20 3.28 0.00 5.70 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 6.50 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.83 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 0.70 0.00 0.00 1.00 0.00 0.00 70 I 7.95 4.46 1.84 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 1.22 1.36 0.85 0.00 0.00 71 E 8.65 5.29 0.00 1.91 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 2.53 2.49 0.00 72 S 8.83 4.69 0.00 3.97 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 8.57 4.90 0.00 1.94 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 2.17 2.30 0.00 74 G 8.62 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