NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2442 8.3149 121.7890 55.1867 33.5639 175.4733 2 P 4.1679 0.0000 0.0000 61.9346 31.8843 172.2399 3 V 3.5853 8.2361 121.2352 65.9277 32.6058 178.0188 4 S 4.0854 7.9874 112.8384 59.8245 63.1506 174.2401 5 L 4.3269 6.9876 121.6322 55.2288 43.3917 176.2407 6 S 4.4609 7.8594 112.9623 57.7737 62.9614 173.2405 7 Y 4.4873 8.3780 122.9041 58.0873 38.5964 176.1581 8 R 4.2071 7.6976 120.0847 55.4159 30.8294 175.9054 9 C 4.2671 8.7555 119.6707 56.8389 40.8287 171.9612 10 P 4.1783 0.0000 0.0000 65.4323 30.9995 177.0244 11 C 4.6962 7.9067 116.1932 55.5372 40.2691 173.5636 12 R 3.8224 8.4907 124.5870 57.8651 30.1177 176.6553 13 F 4.9659 7.6690 113.0991 55.4415 42.7513 173.3233 14 F 5.2818 7.8635 115.1405 55.6536 41.0554 173.4378 15 E 4.8906 9.4940 121.0405 54.9532 31.4668 176.9605 16 S 4.8583 8.7058 114.8738 58.4279 63.5071 173.7327 17 H 5.0495 8.0140 116.8834 55.8472 29.5878 173.4537 18 V 4.0672 8.1023 119.1701 61.5967 32.3331 174.8475 19 A 4.2725 8.4579 130.5607 51.2278 19.6323 177.5960 20 R 2.5100 7.9024 122.8710 58.8421 29.9502 178.4776 21 A 3.8780 7.5907 118.8732 54.5727 18.6080 177.1663 22 N 4.7014 8.2354 113.9629 53.2458 38.9328 173.6648 23 V 4.4414 7.3167 116.7554 60.6962 32.9358 175.4600 24 K 4.3250 9.1992 129.9654 59.2998 32.7651 176.2607 25 H 4.8600 7.6612 112.0705 55.0041 31.4519 172.4678 26 L 5.1920 8.8700 119.6029 53.0804 43.5604 175.6936 27 K 4.4579 9.5692 126.3932 55.0968 34.0288 175.0572 28 I 4.8110 8.2606 128.4877 59.3703 38.3022 175.4286 29 L 4.0277 8.8245 128.5973 54.1820 42.0293 178.3188 30 N 4.6840 8.3457 123.5230 52.8577 37.8898 176.1142 31 T 4.6223 7.1081 111.6677 58.5899 68.9808 173.5409 32 P 4.3508 0.0000 0.0000 66.1238 31.8429 178.2713 33 N 4.5340 8.1214 114.9465 54.7252 38.8847 175.3498 34 C 4.9872 7.7355 115.2023 54.7218 42.8123 173.9948 35 A 3.9504 8.6025 125.1663 54.2017 18.2948 177.8863 36 L 4.6349 7.8136 115.5897 53.4633 43.1415 175.9598 37 Q 4.5774 8.5714 121.6666 55.6164 31.5158 175.0514 38 I 4.7481 7.6058 121.2116 59.7782 39.0653 174.6604 39 V 4.9244 8.9492 127.3263 60.9291 34.6567 173.7935 40 A 5.0753 9.5342 130.5197 50.2823 21.6315 175.2962 41 R 4.8051 8.5401 123.5460 54.8322 31.5349 175.6261 42 L 4.6933 8.8244 127.4886 54.6641 42.7142 178.4806 43 K 4.0399 8.7638 123.0801 59.7360 31.8142 178.7706 44 N 4.5096 8.5452 116.3436 54.8296 37.4770 175.2260 45 N 4.8028 7.6535 112.8036 51.1043 38.7115 174.5189 46 N 4.6745 8.3010 114.8907 53.9800 37.7285 173.8010 47 R 4.2944 7.3681 115.2329 56.2302 31.6384 175.2311 48 Q 5.0949 8.5244 119.8525 54.3345 30.8869 175.3773 49 V 4.5213 8.9540 123.6209 61.1914 35.2947 173.7133 50 C 5.1542 8.9579 125.2395 56.7093 41.4244 172.6318 51 I 5.0539 8.1938 116.6073 58.6085 40.5171 174.7382 52 D 3.4210 8.0553 122.9912 53.3235 41.1684 175.4705 53 P 4.1656 0.0000 0.0000 65.4615 31.4745 177.1698 54 K 4.0943 7.7333 114.6998 55.9834 32.3395 176.2480 55 L 3.6630 7.9899 123.4380 55.7993 41.9808 177.5805 56 K 4.0922 8.4083 127.9019 59.3347 32.7846 177.6350 57 W 4.5049 7.8583 114.9285 57.8803 28.2820 177.8696 58 I 3.2120 6.9407 121.9074 64.4743 36.4455 177.4906 59 Q 3.9452 8.0038 119.6585 59.5182 28.8098 178.2581 60 E 3.9726 8.2378 119.5295 59.2944 29.5153 177.8787 61 Y 4.1633 8.0287 118.6890 60.7640 39.1312 177.8782 62 L 4.2165 8.4493 119.9753 58.0432 41.9288 179.3600 63 E 3.9876 8.5383 118.7594 59.3724 29.0847 179.5731 64 K 3.9419 8.2171 118.3381 59.4430 31.8835 179.1794 65 A 3.9569 7.5350 119.9628 54.3912 18.3301 178.8623 66 L 4.2946 7.5509 115.7041 55.2073 43.3974 176.8889 67 N 4.9878 7.4841 116.2611 52.0280 38.1806 174.8056 68 K 4.1759 7.6912 120.6527 56.4919 32.6087 176.8417 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 4.24 0.00 1.73 1.79 0.00 1.77 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 1.30 1.46 7.81 2 P 0.00 4.17 0.00 2.27 1.96 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 3 V 8.24 3.59 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 0.99 0.00 0.00 0.92 0.00 0.00 4 S 7.99 4.09 0.00 3.97 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 5 L 6.99 4.33 0.00 1.52 1.79 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.86 4.46 0.00 3.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.49 0.00 3.00 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 8 R 7.70 4.21 0.00 1.85 1.85 0.00 3.19 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 9 C 8.76 4.27 0.00 2.93 3.03 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 10 P 0.00 4.18 0.00 2.04 2.14 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 11 C 7.91 4.70 0.00 3.08 3.09 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 12 R 8.49 3.82 0.00 1.45 1.16 0.00 3.26 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 13 F 7.67 4.97 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 5.28 0.00 2.99 3.03 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 15 E 9.49 4.89 0.00 2.05 1.96 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 2.31 2.42 0.00 16 S 8.71 4.86 0.00 3.90 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 17 H 8.01 5.05 0.00 3.18 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.10 4.07 2.27 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 0.95 0.00 0.00 1.02 0.00 0.00 19 A 8.46 4.27 1.21 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 20 R 7.90 2.51 0.00 0.67 1.18 0.00 3.21 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.00 21 A 7.59 3.88 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.24 4.70 0.00 2.75 2.82 0.00 0.00 6.56 8.37 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 23 V 7.32 4.44 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 0.83 0.00 0.00 1.04 0.00 0.00 24 K 9.20 4.33 0.00 1.73 1.82 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.41 7.81 25 H 7.66 4.86 0.00 3.32 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.87 5.19 0.00 1.70 1.68 0.75 0.87 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 27 K 9.57 4.46 0.00 1.88 1.73 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 28 I 8.26 4.81 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.91 0.00 0.00 29 L 8.82 4.03 0.00 1.49 1.60 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.35 4.68 0.00 2.68 2.75 0.00 0.00 6.84 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 31 T 7.11 4.62 4.24 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 1.21 0.00 0.00 32 P 0.00 4.35 0.00 2.20 2.23 0.00 3.84 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 33 N 8.12 4.53 0.00 2.75 2.92 0.00 0.00 6.79 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 34 C 7.74 4.99 0.00 3.05 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 35 A 8.60 3.95 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 36 L 7.81 4.63 0.00 1.65 1.64 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.57 4.58 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 38 I 7.61 4.75 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.83 0.00 0.00 39 V 8.95 4.92 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 1.04 0.00 0.00 0.95 0.00 0.00 40 A 9.53 5.08 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 41 R 8.54 4.81 0.00 1.83 1.41 0.00 3.22 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 42 L 8.82 4.69 0.00 1.63 1.56 0.94 0.60 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 43 K 8.76 4.04 0.00 1.78 1.85 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.32 7.81 44 N 8.55 4.51 0.00 2.84 2.99 0.00 0.00 6.85 7.93 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 45 N 7.65 4.80 0.00 2.87 3.02 0.00 0.00 5.94 6.96 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 46 N 8.30 4.67 0.00 2.88 2.94 0.00 0.00 7.39 7.65 0.00 0.00 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 7.37 4.29 0.00 1.92 1.85 0.00 3.31 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 48 Q 8.52 5.09 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 49 V 8.95 4.52 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 1.05 0.00 0.00 0.97 0.00 0.00 50 C 8.96 5.15 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 51 I 8.19 5.05 1.74 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.94 0.00 0.00 52 D 8.06 3.42 0.00 1.79 2.19 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 0.00 0.00 0.00 0.00 53 P 0.00 4.17 0.00 1.92 1.99 0.00 3.34 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 54 K 7.73 4.09 0.00 1.76 1.72 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.32 7.81 55 L 7.99 3.66 0.00 1.54 0.97 0.87 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.41 4.09 0.00 1.77 1.89 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 57 W 7.86 4.50 0.00 3.71 3.35 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 0.00 58 I 6.94 3.21 1.58 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.36 0.71 0.00 0.00 59 Q 8.00 3.95 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 60 E 8.24 3.97 0.00 2.16 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 0.00 2.47 2.42 0.00 61 Y 8.03 4.16 0.00 3.54 3.46 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 62 L 8.45 4.22 0.00 1.93 1.76 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.54 3.99 0.00 2.06 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 2.34 2.53 0.00 64 K 8.22 3.94 0.00 1.91 1.79 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.68 7.81 65 A 7.53 3.96 1.18 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 0.00 0.00 0.00 0.00 0.00 66 L 7.55 4.29 0.00 1.79 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.48 4.99 0.00 2.66 2.74 0.00 0.00 6.80 7.36 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 68 K 7.69 4.18 0.00 1.69 1.65 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.30 7.81