NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2988 8.2644 123.5871 52.1953 19.3740 174.4031 3 R 4.2591 7.6786 121.4656 53.7694 31.5415 175.9582 4 K 4.1230 9.0515 126.3981 59.1811 33.4290 177.8716 5 A 4.1265 8.0266 121.2075 55.0418 18.4198 178.0339 6 L 4.4728 7.4279 111.4549 55.2884 42.1154 177.6451 7 I 4.1398 7.5147 120.8609 61.2652 36.2980 175.9298 8 E 4.5373 7.8512 115.4821 55.9198 30.4936 177.7742 9 K 3.3833 8.1158 121.5617 59.7183 32.3022 177.3649 10 A 4.3947 7.6951 118.6303 52.1631 19.2235 178.3072 11 K 4.1949 7.6109 114.7240 56.8719 33.1358 179.1528 12 R 3.2654 7.3338 119.0895 57.6363 30.0070 181.1807 13 T 3.4788 7.7857 114.2709 65.8373 63.9207 170.5516 14 P 4.4989 0.0000 0.0000 62.0086 32.4547 177.8041 15 K 3.7674 7.7077 124.7226 57.1610 32.2275 175.5595 16 F 4.9776 6.8289 116.0723 55.4222 41.9750 176.1383 17 K 3.9968 8.7698 125.4150 59.7081 32.4388 177.3558 18 V 4.2723 8.0778 111.7301 61.3135 31.5261 176.7835 19 R 4.2661 7.9263 119.7962 57.5193 30.6884 176.9458 20 A 4.4745 7.8725 119.9822 52.0377 19.0610 175.3545 21 Y 4.9930 7.9545 116.9974 55.6436 41.3521 175.4915 22 T 3.9545 8.6537 109.1046 63.9479 69.4502 174.5020 23 R 3.9005 7.7845 124.7355 54.5381 29.7663 175.8401 24 C 5.0588 8.1089 118.9903 54.8803 44.9895 174.9473 25 V 3.7187 8.3196 125.4029 62.9695 30.4654 175.6649 26 R 4.4417 7.3347 118.9768 58.1767 32.5469 173.8194 27 C 4.5910 7.9518 109.8931 55.9287 42.3029 174.1726 28 G 3.9457 7.8721 108.8948 45.7765 0.0000 174.7678 29 R 3.9526 7.6844 119.6376 56.4562 30.4864 176.3824 30 A 4.9405 8.4682 125.7801 51.9211 21.3551 176.4335 31 R 4.1049 8.2138 121.3240 57.7514 28.0812 180.0906 32 S 4.3798 9.1314 109.6950 57.5774 61.2823 172.6051 33 V 4.5836 7.3993 119.0450 60.5788 34.4590 176.0672 34 Y 4.7492 8.5272 124.1235 57.7763 38.9795 175.4294 35 R 4.6342 8.7990 116.0501 57.9175 33.5123 175.8338 36 F 4.1384 8.2035 119.5702 60.9331 39.9501 176.0396 37 F 4.2186 8.6896 120.8519 58.2468 39.6017 175.9665 38 G 3.9239 8.4826 108.0640 46.8057 0.0000 173.3529 39 L 4.7312 7.9975 119.1800 52.0440 44.2619 175.9470 40 C 4.1069 8.8392 118.6703 55.1539 42.0733 174.8324 41 R 3.9627 8.4310 120.3720 59.9884 28.6971 179.1643 42 I 3.7468 7.7163 119.7431 64.2582 37.2641 177.0417 43 C 4.4792 8.1841 114.0807 57.1075 39.7804 175.0051 44 L 4.0128 7.8880 123.3170 57.6457 41.9556 178.4769 45 R 3.8599 7.9933 118.9490 59.5257 29.6670 178.1400 46 E 4.0358 8.8634 118.7780 59.3420 29.5865 178.9937 47 L 3.9429 7.5282 118.2003 56.3838 41.7544 178.8258 48 A 4.1340 7.4959 119.9319 54.9263 18.4185 179.1003 49 H 4.3461 7.9627 113.8247 58.9964 28.3478 177.7489 50 K 4.2070 7.7888 119.5272 57.1584 30.2475 178.7841 51 G 3.9677 7.7150 106.2061 46.1637 0.0000 175.5724 52 Q 4.0413 7.5043 120.0003 57.6233 28.9159 176.4606 53 L 4.3709 7.4061 118.0887 52.6161 42.0554 174.4986 54 P 4.2916 0.0000 0.0000 63.9805 31.7887 175.5398 55 G 4.0735 8.9514 110.9304 45.5979 0.0000 173.2099 56 V 3.6631 7.0130 117.1144 63.2984 30.0382 174.8632 57 R 4.5115 7.9165 125.8237 53.5408 32.0904 175.7193 58 K 3.9778 8.4443 123.2868 56.1310 32.1930 176.6226 59 A 4.3828 8.4386 129.8555 52.4863 19.1502 176.5107 60 S 4.7088 8.3109 115.7587 57.4691 67.0806 174.7605 61 W 4.4467 8.1737 120.0486 57.2836 27.2185 174.1551 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 2 A 8.26 4.30 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 3 R 7.68 4.26 0.00 1.95 1.83 0.00 3.20 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 4 K 9.05 4.12 0.00 1.80 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 5 A 8.03 4.13 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 6 L 7.43 4.47 0.00 1.79 1.84 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.51 4.14 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.89 0.00 0.00 8 E 7.85 4.54 0.00 2.17 2.18 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 0.00 2.44 2.42 0.00 9 K 8.12 3.38 0.00 0.85 1.59 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.19 1.06 7.81 10 A 7.70 4.39 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 11 K 7.61 4.19 0.00 1.83 1.87 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.41 7.81 12 R 7.33 3.27 0.00 1.93 1.09 0.00 3.32 0.00 0.00 3.22 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 13 T 7.79 3.48 4.20 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 1.15 0.00 0.00 14 P 0.00 4.50 0.00 2.37 2.16 0.00 3.86 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 15 K 7.71 3.77 0.00 1.48 0.74 0.00 1.50 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.00 7.81 16 F 6.83 4.98 0.00 3.17 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 17 K 8.77 4.00 0.00 1.90 2.02 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.58 7.81 18 V 8.08 4.27 2.13 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 0.75 0.00 0.00 1.01 0.00 0.00 19 R 7.93 4.27 0.00 1.98 2.05 0.00 3.38 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 20 A 7.87 4.47 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 21 Y 7.95 4.99 0.00 3.06 2.83 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 22 T 8.65 3.95 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 1.25 0.00 0.00 23 R 7.78 3.90 0.00 1.85 1.94 0.00 3.35 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.13 0.00 24 C 8.11 5.06 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 25 V 8.32 3.72 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 0.74 0.00 0.00 0.94 0.00 0.00 26 R 7.33 4.44 0.00 1.82 1.83 0.00 3.12 0.00 0.00 3.25 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 27 C 7.95 4.59 0.00 3.17 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 28 G 7.87 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.68 3.95 0.00 1.88 1.85 0.00 3.13 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 30 A 8.47 4.94 1.45 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 31 R 8.21 4.10 0.00 1.78 1.41 0.00 3.29 0.00 0.00 3.27 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 32 S 9.13 4.38 0.00 3.86 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 33 V 7.40 4.58 2.15 0.00 0.00 0.00 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 1.07 0.00 0.00 34 Y 8.53 4.75 0.00 3.03 3.01 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 0.00 0.00 0.00 0.00 35 R 8.80 4.63 0.00 1.85 1.95 0.00 3.29 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 36 F 8.20 4.14 0.00 3.18 3.16 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 37 F 8.69 4.22 0.00 2.92 3.11 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 38 G 8.48 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.00 4.73 0.00 1.62 1.62 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.84 4.11 0.00 3.21 3.43 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 41 R 8.43 3.96 0.00 2.19 2.39 0.00 2.80 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 42 I 7.72 3.75 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 1.04 0.00 0.00 43 C 8.18 4.48 0.00 3.16 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.89 4.01 0.00 1.65 1.77 -0.25 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.99 3.86 0.00 1.88 2.01 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 46 E 8.86 4.04 0.00 2.02 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 0.00 2.35 2.48 0.00 47 L 7.53 3.94 0.00 1.90 1.74 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.50 4.13 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 49 H 7.96 4.35 0.00 3.15 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.79 4.21 0.00 1.76 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.55 7.81 51 G 7.71 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 0.00 0.00 0.00 52 Q 7.50 4.04 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 53 L 7.41 4.37 0.00 1.77 1.69 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.29 0.00 2.17 2.06 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 55 G 8.95 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 56 V 7.01 3.66 2.29 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 0.75 0.00 0.00 1.11 0.00 0.00 57 R 7.92 4.51 0.00 1.93 1.80 0.00 3.31 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 58 K 8.44 3.98 0.00 1.77 1.75 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 59 A 8.44 4.38 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 60 S 8.31 4.71 0.00 3.89 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 61 W 8.17 4.45 0.00 3.31 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