NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2050 8.3149 120.1348 55.2579 32.8621 175.2015 2 P 4.0183 0.0000 0.0000 62.5301 31.0155 171.7275 3 V 4.2391 8.2486 117.2141 59.6227 33.8801 174.6703 4 S 4.3144 8.0973 120.0101 58.4871 62.6629 174.1227 5 L 4.6140 7.8254 121.7370 55.8470 46.1241 177.5529 6 S 4.0249 8.2238 113.8276 61.2069 62.8216 174.3546 7 Y 4.7652 7.5760 121.9956 56.4992 40.5842 174.5155 8 R 4.5666 10.1002 126.0621 54.8154 33.2113 173.0280 9 C 5.7345 8.8322 125.9122 54.7097 46.9552 172.5904 10 P 4.1703 0.0000 0.0000 64.0939 31.6649 175.8739 11 C 4.9719 7.4603 115.4051 56.1127 44.6109 173.8180 12 R 4.0217 8.4410 118.2276 57.6066 30.5465 176.9414 13 F 4.6773 7.5542 113.4299 55.4070 43.0550 173.8670 14 F 4.9841 7.4791 117.0126 55.3089 39.6951 175.2997 15 E 4.5008 9.0703 123.9808 55.8066 30.4859 176.8958 16 S 4.5580 8.8141 116.2878 59.8803 64.4567 174.0511 17 H 4.8778 8.2311 115.7683 55.9258 29.1064 175.1453 18 V 4.2909 7.8297 117.9260 60.0536 33.2340 175.1352 19 A 4.0881 8.2234 125.3273 51.4009 19.7275 178.7093 20 R 2.0000 7.5448 122.1178 58.3450 30.2256 178.0451 21 A 4.1051 7.4381 118.4190 53.3419 18.9553 176.9676 22 N 4.6389 7.6182 113.5378 53.3192 39.5497 174.6642 23 V 4.7044 6.8544 109.3815 60.6961 33.5257 176.0187 24 K 4.2252 8.8317 122.5780 59.0297 32.5370 176.2131 25 H 4.7771 7.3462 111.8534 55.3048 31.5723 172.3425 26 L 4.8262 8.6788 117.7213 52.8054 44.2338 176.3301 27 K 4.5605 9.1837 124.3940 54.7698 34.8462 174.5464 28 I 5.0105 8.4299 127.9826 59.6406 39.4393 175.1546 29 L 4.8311 8.8067 124.9835 53.1878 46.5592 174.8543 30 N 5.1131 8.7975 119.3160 51.7876 40.9689 174.3145 31 T 4.5709 7.9465 114.7637 58.9152 71.0916 174.0397 32 P 4.2330 0.0000 0.0000 65.3322 31.3970 177.0744 33 N 4.6007 7.4701 114.8356 53.7680 38.9032 174.4565 34 C 4.9656 7.7958 115.6670 54.4467 42.6857 173.6697 35 A 3.8833 8.0651 126.6078 54.8155 18.5180 176.3836 36 C 4.7721 7.3697 114.4378 57.7015 35.4571 173.3457 37 Q 4.5207 8.7230 124.0610 54.3254 32.8929 173.7704 38 I 4.8507 8.0492 123.1382 59.4702 39.9506 174.6770 39 V 4.9307 9.3650 127.3127 61.0217 34.1237 174.0094 40 A 5.2546 9.3495 129.3851 49.3421 22.3969 174.9653 41 R 4.6256 8.1570 121.0227 54.7819 31.4845 175.8443 42 L 4.6547 8.4978 127.0039 54.2823 42.4470 177.4207 43 K 3.8749 8.7715 121.8837 58.5425 32.8667 177.9840 44 N 4.1238 9.3170 122.3712 54.3164 36.9910 177.4740 45 N 4.7923 9.0934 126.4801 52.6466 39.8781 171.9184 46 N 4.8180 7.5158 117.4302 52.0345 42.6025 176.8167 47 R 4.5436 6.7333 112.7323 56.2311 33.9377 171.5716 48 Q 5.1690 8.9338 116.5734 55.0189 30.7211 175.3937 49 V 4.6330 8.8691 116.0452 59.6808 35.7291 173.8007 50 C 5.0789 9.8115 120.8515 56.2189 40.1047 172.8137 51 I 4.9591 9.0817 125.7743 59.1382 39.7416 174.6554 52 D 4.2814 8.7149 126.8778 53.5715 41.5557 175.3311 53 P 4.0945 0.0000 0.0000 64.4672 31.3632 176.7854 54 K 4.3314 8.1178 117.8229 56.0141 32.7609 176.9856 55 L 4.0424 7.5592 120.7270 54.1886 43.4772 177.2927 56 K 3.7906 8.6738 122.3964 60.0405 32.0623 179.1192 57 W 4.4055 8.2375 116.0569 59.5070 28.0223 178.2147 58 I 3.5030 6.8191 120.4400 64.0398 36.5397 177.7161 59 Q 3.9590 8.4498 119.5753 59.2948 28.6682 179.3608 60 E 4.0392 8.1688 117.6816 59.1579 29.8039 178.3307 61 Y 3.8899 8.0300 120.6762 60.5874 38.9040 178.1448 62 L 4.0729 8.6875 120.0768 57.8677 41.7820 179.1133 63 E 3.9707 8.3505 118.8425 59.5255 29.2545 179.7696 64 K 4.6461 8.2798 118.7705 59.8714 32.6786 178.6906 65 C 4.2792 7.8832 116.9896 62.0375 28.0889 175.4474 66 L 4.0792 8.2161 121.8254 56.3753 41.8127 176.3576 67 N 4.3950 7.5633 123.2266 54.0841 42.7421 174.2454 68 K 4.1668 7.4499 121.6859 57.0329 32.9808 176.4338 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 1 K 8.31 4.20 0.00 1.77 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 2 P 0.00 4.02 0.00 2.13 2.04 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 3 V 8.25 4.24 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 0.81 0.00 0.00 0.99 0.00 0.00 4 S 8.10 4.31 0.00 3.82 3.67 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 5 L 7.83 4.61 0.00 1.55 1.55 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.22 4.02 0.00 3.96 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 7 Y 7.58 4.77 0.00 2.80 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 8 R 10.10 4.57 0.00 1.80 1.73 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 9 C 8.83 5.73 0.00 3.03 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 10 P 0.00 4.17 0.00 2.23 2.15 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 11 C 7.46 4.97 0.00 2.92 3.02 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 0.00 0.00 0.00 0.00 12 R 8.44 4.02 0.00 1.72 1.42 0.00 3.11 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 13 F 7.55 4.68 0.00 2.88 2.63 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 14 F 7.48 4.98 0.00 3.17 3.05 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 15 E 9.07 4.50 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 16 S 8.81 4.56 0.00 3.91 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 17 H 8.23 4.88 0.00 3.20 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.83 4.29 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 1.02 0.00 0.00 1.05 0.00 0.00 19 A 8.22 4.09 1.16 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 0.00 0.00 0.00 0.00 0.00 20 R 7.54 2.00 0.00 0.67 1.25 0.00 3.17 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 21 A 7.44 4.11 1.17 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 0.00 0.00 0.00 22 N 7.62 4.64 0.00 2.70 2.73 0.00 0.00 6.96 8.92 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 23 V 6.85 4.70 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 0.99 0.00 0.00 1.06 0.00 0.00 24 K 8.83 4.23 0.00 1.67 1.90 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.63 7.81 25 H 7.35 4.78 0.00 3.16 3.43 0.00 5.40 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.68 4.83 0.00 1.38 1.44 -0.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.18 4.56 0.00 1.85 1.90 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 28 I 8.43 5.01 1.84 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 1.26 0.72 0.91 0.00 0.00 29 L 8.81 4.83 0.00 1.59 1.48 0.92 0.29 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 30 N 8.80 5.11 0.00 2.52 2.69 0.00 0.00 7.16 7.50 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 31 T 7.95 4.57 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 1.19 0.00 0.00 32 P 0.00 4.23 0.00 2.15 2.20 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 33 N 7.47 4.60 0.00 2.64 2.83 0.00 0.00 6.62 7.70 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 34 C 7.80 4.97 0.00 2.91 3.29 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 35 A 8.07 3.88 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 36 C 7.37 4.77 0.00 2.88 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 37 Q 8.72 4.52 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 38 I 8.05 4.85 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.88 0.77 0.00 0.00 39 V 9.37 4.93 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 1.13 0.00 0.00 0.95 0.00 0.00 40 A 9.35 5.25 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 41 R 8.16 4.63 0.00 1.80 1.65 0.00 3.23 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 42 L 8.50 4.65 0.00 1.68 1.59 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.77 3.87 0.00 1.75 1.75 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 44 N 9.32 4.12 0.00 2.87 2.31 0.00 0.00 6.74 7.99 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 45 N 9.09 4.79 0.00 2.65 2.71 0.00 0.00 6.50 8.00 0.00 0.00 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 N 7.52 4.82 0.00 2.63 2.65 0.00 0.00 7.13 7.66 0.00 0.00 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 R 6.73 4.54 0.00 1.85 2.02 0.00 3.14 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 48 Q 8.93 5.17 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 49 V 8.87 4.63 2.36 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 0.77 0.00 0.00 1.00 0.00 0.00 50 C 9.81 5.08 0.00 2.93 3.10 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 51 I 9.08 4.96 1.70 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.64 0.54 0.00 0.00 52 D 8.71 4.28 0.00 2.87 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.09 0.00 2.01 1.97 0.00 3.01 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 54 K 8.12 4.33 0.00 1.65 1.74 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.20 7.81 55 L 7.56 4.04 0.00 1.38 0.94 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.67 3.79 0.00 1.87 1.96 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.58 7.81 57 W 8.24 4.41 0.00 3.75 3.33 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 58 I 6.82 3.50 1.60 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.40 0.63 0.00 0.00 59 Q 8.45 3.96 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 60 E 8.17 4.04 0.00 2.31 2.25 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 2.37 2.63 0.00 61 Y 8.03 3.89 0.00 3.49 3.12 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 62 L 8.69 4.07 0.00 1.83 1.71 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.35 3.97 0.00 2.11 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 0.00 2.50 2.49 0.00 64 K 8.28 4.65 0.00 1.79 1.95 0.00 1.45 0.00 0.00 1.06 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.16 7.81 65 C 7.88 4.28 0.00 3.22 3.08 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 0.00 0.00 0.00 66 L 8.22 4.08 0.00 1.84 1.92 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.56 4.39 0.00 2.70 2.76 0.00 0.00 7.38 6.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.45 4.17 0.00 1.94 1.90 0.00 1.66 0.00 0.00 2.07 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.46 7.81