NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.8452 8.2076 120.4829 54.3901 43.2436 173.2634 9 F 5.2585 8.0443 114.4187 54.8048 41.2522 168.9319 10 V 4.6066 9.0181 112.5118 59.5901 36.1750 175.9946 11 V 4.7554 8.6755 123.9844 61.4013 33.6314 174.5051 12 I 5.0983 8.9799 128.5102 59.3266 41.0342 174.1208 13 K 4.9560 9.0005 128.2550 54.2591 34.8241 174.8011 14 A 4.4436 8.6892 130.5700 52.1825 18.6881 177.8834 15 V 4.2279 8.5747 123.0706 64.0008 32.4641 175.5605 16 E 4.7774 7.8820 117.4071 54.2438 33.5192 174.5336 17 D 4.5501 8.4238 120.0711 55.5260 41.4384 176.5479 18 G 3.8569 8.6712 107.0436 46.3715 0.0000 174.0710 19 V 4.0666 7.3442 119.5392 62.5919 33.0531 174.6266 20 N 5.4175 9.1823 123.3132 51.3941 42.5584 173.4483 21 V 4.6284 8.8569 123.5711 61.3119 33.9460 174.0962 22 I 4.6787 8.6011 129.6758 59.3645 39.8688 174.8992 23 G 4.2144 8.8570 114.8195 44.6981 0.0000 172.3549 24 L 5.5113 8.6872 125.1148 52.7602 44.3057 176.2256 25 T 4.5535 8.6267 114.1025 61.9450 69.3325 174.0383 26 R 4.3167 7.8911 125.9529 56.2649 30.9579 175.2592 27 G 3.8295 8.7603 110.7639 44.2874 0.0000 173.1927 28 T 3.9819 8.5234 108.9884 63.9385 69.0454 174.1692 29 D 4.8206 7.8241 120.3762 52.9638 42.5947 176.0717 30 T 4.6176 8.2982 118.1291 61.9639 70.6130 173.2369 31 K 4.7624 8.9595 125.3963 53.9590 36.8063 175.8354 32 F 5.1814 8.7031 121.2300 58.2374 38.6904 175.1605 33 H 4.8388 8.9285 120.0000 56.7212 29.8606 174.8921 34 H 4.6590 7.5472 116.6003 55.2479 33.2178 172.2561 35 S 4.7979 8.2932 119.2936 56.5129 64.8615 172.3432 36 E 4.4464 9.2039 129.8340 54.5902 30.9458 174.7051 37 K 4.6764 8.6192 128.9268 55.9570 33.4084 175.6264 38 L 4.8840 8.8388 127.2882 53.0542 44.6473 176.2794 39 D 4.6833 9.1672 124.1999 52.8136 42.8240 175.9142 40 K 3.8812 9.5415 122.1970 58.6693 32.2822 176.6173 41 G 4.0554 9.2980 115.3363 45.4161 0.0000 173.5895 42 E 4.3017 7.9858 118.8922 56.3727 30.8497 176.2142 43 V 4.9250 8.1152 120.2656 61.2812 34.9502 174.3344 44 I 4.6263 8.9454 126.8410 59.1896 41.5758 173.8583 45 I 4.9812 8.4141 128.6077 59.5576 39.1838 174.7095 46 A 4.6973 9.0126 129.0275 50.1590 22.1435 175.2562 47 Q 4.8779 8.5243 120.2310 54.5412 30.9452 175.4539 48 F 4.7078 8.4998 120.0802 57.8425 38.4998 175.4002 49 T 4.7435 8.9528 111.3941 60.1630 71.9533 174.2697 50 E 4.2153 8.9074 119.8536 59.5090 29.5902 178.0509 51 H 4.6156 7.7963 113.5582 56.1593 29.9061 174.3036 52 T 5.2299 8.0591 117.0929 61.8489 70.7496 174.4944 53 S 5.0011 9.1230 119.3808 57.9548 64.9441 173.4060 54 A 5.0251 7.9656 121.5011 50.9851 22.7026 175.0452 55 I 4.9328 8.5696 120.2857 59.3311 40.5490 174.8019 56 K 4.6055 8.9592 128.0108 54.4670 34.9944 174.6622 57 V 4.7803 8.3297 125.8334 61.0400 34.0058 174.4127 58 R 4.5023 8.9283 127.6444 55.1859 33.0652 174.0980 59 G 4.0482 9.0342 111.2910 43.6505 0.0000 172.4130 60 E 4.4922 8.7566 119.9457 55.9794 30.5615 175.1526 61 A 5.0324 8.9034 127.2791 50.9298 23.4612 174.1910 62 L 4.9245 8.6636 122.4177 53.5617 44.3865 175.3631 63 I 5.0699 8.8019 126.4817 59.6119 40.8143 174.2199 64 Q 5.1487 8.9596 125.9123 54.4325 31.5765 174.9754 65 T 5.0286 9.0392 113.3741 59.5247 72.3725 174.4157 66 A 3.8754 8.4654 123.0842 54.8906 18.2283 177.8054 67 Y 4.7574 7.5593 111.7499 57.2491 39.2609 174.7429 68 G 3.9310 7.7063 106.2862 44.1722 0.0000 172.7014 69 E 5.2551 8.5583 120.0318 55.3695 32.1471 175.4524 70 M 4.8145 8.9268 120.8472 54.1507 36.3447 173.1755 71 K 5.0468 8.6866 126.7507 54.6940 34.3962 175.3776 72 S 4.7926 8.7911 122.2350 57.4787 65.2249 172.9384 73 E 5.1885 8.4942 119.6836 54.3743 33.3063 175.9078 74 K 4.1024 8.4810 121.7092 56.7569 32.2354 176.5652 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 8 D 8.21 4.85 0.00 2.80 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 8.04 5.26 0.00 3.04 2.88 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 10 V 9.02 4.61 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 0.61 0.00 0.00 0.86 0.00 0.00 11 V 8.68 4.76 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 1.00 0.00 0.00 1.19 0.00 0.00 12 I 8.98 5.10 1.85 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 1.09 0.66 0.89 0.00 0.00 13 K 9.00 4.96 0.00 1.78 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.35 7.81 14 A 8.69 4.44 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 15 V 8.57 4.23 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 0.78 0.00 0.00 0.93 0.00 0.00 16 E 7.88 4.78 0.00 1.93 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 2.20 2.25 0.00 17 D 8.42 4.55 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.34 4.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.03 0.00 0.00 20 N 9.18 5.42 0.00 2.66 2.58 0.00 0.00 6.49 8.17 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 21 V 8.86 4.63 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 0.89 0.00 0.00 22 I 8.60 4.68 1.51 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.47 -0.20 0.00 0.00 23 G 8.86 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 0.00 0.00 0.00 0.00 24 L 8.69 5.51 0.00 1.85 1.68 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.63 4.55 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 1.39 0.00 0.00 26 R 7.89 4.32 0.00 1.92 1.99 0.00 3.26 0.00 0.00 3.08 7.03 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 8.76 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 28 T 8.52 3.98 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 29 D 7.82 4.82 0.00 2.71 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 30 T 8.30 4.62 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 1.30 0.00 0.00 31 K 8.96 4.76 0.00 1.74 1.68 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 32 F 8.70 5.18 0.00 2.76 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 8.93 4.84 0.00 3.17 3.51 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 7.55 4.66 0.00 3.32 3.11 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 8.29 4.80 0.00 3.82 3.64 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 36 E 9.20 4.45 0.00 2.14 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 2.24 2.28 0.00 37 K 8.62 4.68 0.00 1.79 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 L 8.84 4.88 0.00 1.56 1.51 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.17 4.68 0.00 2.60 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 9.54 3.88 0.00 1.78 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.60 7.81 41 G 9.30 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.99 4.30 0.00 2.04 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 2.25 0.00 43 V 8.12 4.93 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 0.76 0.00 0.00 0.92 0.00 0.00 44 I 8.95 4.63 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 1.18 1.39 0.88 0.00 0.00 45 I 8.41 4.98 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.48 0.00 0.00 46 A 9.01 4.70 1.09 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 47 Q 8.52 4.88 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 48 F 8.50 4.71 0.00 3.02 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 8.95 4.74 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 1.27 0.00 0.00 50 E 8.91 4.22 0.00 1.71 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 2.30 2.39 0.00 51 H 7.80 4.62 0.00 3.26 3.25 0.00 5.75 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 8.06 5.23 4.35 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 1.34 0.00 0.00 53 S 9.12 5.00 0.00 3.86 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 7.97 5.03 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 55 I 8.57 4.93 1.82 0.00 0.00 0.18 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 0.66 0.86 0.00 0.00 56 K 8.96 4.61 0.00 1.65 1.35 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.33 7.81 57 V 8.33 4.78 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.93 4.50 0.00 1.88 1.68 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 59 G 9.03 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.76 4.49 0.00 2.11 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 0.00 2.37 2.38 0.00 61 A 8.90 5.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.66 4.92 0.00 1.79 1.53 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.80 5.07 1.99 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 0.57 0.91 0.00 0.00 64 Q 8.96 5.15 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 65 T 9.04 5.03 4.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 3.88 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.56 4.76 0.00 2.94 2.86 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 0.00 0.00 0.00 68 G 7.71 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 0.00 0.00 0.00 69 E 8.56 5.26 0.00 1.86 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 2.37 2.29 0.00 70 M 8.93 4.81 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 71 K 8.69 5.05 0.00 1.76 1.67 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.46 7.81 72 S 8.79 4.79 0.00 3.98 3.96 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 0.00 0.00 0.00 73 E 8.49 5.19 0.00 1.82 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 2.20 2.27 0.00 74 K 8.48 4.10 0.00 1.67 1.68 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.42 7.81