NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.8933 8.0632 119.7220 56.2855 33.9891 179.2416 1 Q 3.0936 6.4375 115.3269 54.6294 29.9045 176.2464 2 P 4.7295 0.0000 0.0000 62.8039 33.1245 176.0649 3 D 4.4279 8.4847 120.3237 57.1619 40.7267 178.3571 4 A 4.0178 7.9675 121.3103 55.0260 18.1910 179.0997 5 I 3.7727 7.8315 116.1900 63.2581 37.9301 176.2606 6 N 4.8217 7.6727 115.1511 52.8359 38.7404 174.6991 7 A 4.3193 7.6963 121.9372 50.7317 19.2296 176.5524 8 P 4.5116 0.0000 0.0000 62.5412 32.2013 175.9979 9 V 4.3821 8.0242 118.4806 61.3103 33.9948 174.9237 10 T 4.4238 8.4234 123.4350 62.8165 69.2316 174.8046 11 C 4.9442 8.5356 122.3996 55.3564 44.4805 173.6463 12 C 4.7533 8.1759 118.1246 55.5577 41.4403 173.5382 13 Y 4.3392 8.4450 121.0437 58.0653 39.8643 175.8030 14 N 5.2342 7.8802 115.1529 51.2404 41.7009 173.5403 15 F 5.0301 8.7352 119.8207 55.6189 42.2110 175.1191 16 T 4.2654 8.4460 118.1731 62.3140 67.6751 174.3131 17 N 4.9494 8.7836 123.3772 53.0216 39.7088 174.4282 18 R 4.3307 7.4129 119.6584 53.8363 31.2702 175.8583 19 K 2.0000 8.0056 126.2622 55.8071 32.6257 175.5154 20 I 4.1469 5.7132 124.9397 58.7739 39.6387 175.6081 21 S 4.0570 8.3988 119.9248 58.3452 62.8949 175.3259 22 V 3.7012 8.2990 126.0880 63.8001 31.3476 177.1101 23 Q 4.3239 7.4184 119.2030 57.0535 29.3936 176.2015 24 R 4.2481 8.0019 115.9226 57.4418 30.7491 175.8633 25 L 4.7820 7.1444 116.8066 53.4238 43.1027 175.9178 26 A 4.6640 8.7902 125.0212 53.7425 20.6990 176.5989 27 S 4.8429 7.8655 107.7065 58.9230 66.1463 173.8697 28 Y 5.4668 8.1610 117.1480 56.5261 40.7245 173.9764 29 R 4.4221 8.7531 115.4262 54.6168 33.1245 173.9630 30 R 4.7219 8.5016 122.4893 55.1358 31.5456 175.6840 31 I 4.0132 8.3738 127.9297 61.7830 36.9193 176.0158 32 T 4.3798 8.5170 116.5280 61.4884 70.1204 174.7992 33 S 4.1995 7.8453 118.5747 58.1995 62.8221 174.7011 34 S 4.3346 8.5709 121.6472 60.2219 63.3264 175.5210 35 K 4.1298 7.6931 120.2227 59.1827 30.8146 177.1093 36 C 4.5267 7.7865 116.3104 55.6633 40.6758 173.0007 37 P 4.3395 0.0000 0.0000 65.4654 31.0230 176.2159 38 K 4.5417 7.1182 115.2570 55.1106 35.4271 175.2417 39 E 4.0046 8.5493 119.3701 57.0907 30.1618 176.3792 40 A 4.8461 7.8726 120.9595 51.3158 22.8828 175.0603 41 V 4.6275 8.4782 119.7295 61.0458 34.9308 174.5051 42 I 4.7424 8.4733 128.8744 59.9589 38.5613 174.8390 43 F 5.2436 9.2245 127.1783 56.3574 41.1765 174.9181 44 K 5.0824 9.1984 123.9146 54.9740 34.5066 176.0415 45 T 4.7376 8.7536 118.1186 60.5473 70.5231 175.8324 46 I 3.7448 8.7878 122.9651 64.3562 37.0936 177.7972 47 V 4.0150 7.7937 110.6596 60.6897 31.5468 175.2856 48 A 3.6962 8.2145 122.0695 53.4644 16.1642 178.0812 49 K 4.7872 7.7523 118.2536 56.4503 36.0858 174.9135 50 E 5.2816 8.7015 120.3332 54.8665 31.9730 175.5616 51 I 4.7409 8.8133 123.8921 59.7459 41.8452 173.8220 52 C 5.0459 8.8447 123.7153 56.5201 42.7682 172.5176 53 A 5.3952 9.3667 124.6088 50.2188 23.1626 174.2895 54 D 4.9252 8.5916 119.3857 52.0816 42.0573 175.4370 55 P 4.2924 0.0000 0.0000 64.2312 31.4505 177.4589 56 K 4.0456 8.2052 118.9551 58.7550 32.4599 177.4404 57 Q 4.2020 7.9185 119.2312 54.9046 29.6735 176.3599 58 K 3.7829 9.0471 124.2581 59.6895 32.0840 178.6261 59 W 4.3588 8.4405 116.1460 59.7383 27.6660 178.2784 60 V 2.9820 6.6978 118.4030 65.6741 30.9253 177.9710 61 Q 3.8807 7.7749 117.2145 59.0852 28.6047 178.4710 62 D 4.3699 8.1869 119.7555 57.5799 40.8053 178.9871 63 S 4.2378 8.2944 115.6648 61.9562 62.8253 176.8264 64 M 3.5737 8.0714 121.2551 58.2465 31.6728 178.4413 65 D 4.3974 8.0651 119.0836 57.5643 40.6218 178.4099 66 H 4.2379 8.7204 118.9580 59.4745 29.7745 177.4424 67 L 4.1325 8.1856 119.4586 57.7937 41.4573 179.0239 68 D 4.6125 8.0920 118.7975 57.0545 40.8585 177.8178 69 K 4.0949 7.5773 115.9911 58.5955 33.2207 176.9751 70 Q 3.9449 7.5606 121.3408 55.8360 29.1022 175.6413 71 T 4.0378 8.7452 119.0716 62.7675 67.1719 173.0413 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 0 M 8.06 4.89 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 1 Q 6.44 3.09 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 2 P 0.00 4.73 0.00 2.24 2.26 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 3 D 8.48 4.43 0.00 2.75 2.78 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 0.00 0.00 0.00 4 A 7.97 4.02 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 5 I 7.83 3.77 1.87 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 1.52 0.86 0.95 0.00 0.00 6 N 7.67 4.82 0.00 2.85 2.78 0.00 0.00 6.96 6.79 0.00 0.00 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 A 7.70 4.32 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 8 P 0.00 4.51 0.00 2.20 2.07 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 9 V 8.02 4.38 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 0.87 0.00 0.00 0.94 0.00 0.00 10 T 8.42 4.42 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 11 C 8.54 4.94 0.00 2.70 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.18 4.75 0.00 2.54 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 0.00 0.00 0.00 0.00 13 Y 8.45 4.34 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 5.23 0.00 2.66 2.74 0.00 0.00 6.70 7.45 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 15 F 8.74 5.03 0.00 3.01 3.04 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 16 T 8.45 4.27 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 17 N 8.78 4.95 0.00 2.80 2.88 0.00 0.00 6.84 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 18 R 7.41 4.33 0.00 1.70 1.76 0.00 3.21 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 19 K 8.01 2.00 0.00 0.82 1.17 0.00 1.68 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.79 0.54 7.81 20 I 5.71 4.15 1.71 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.81 0.00 0.00 21 S 8.40 4.06 0.00 3.75 3.66 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 0.00 0.00 0.00 0.00 22 V 8.30 3.70 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 0.44 0.00 0.00 0.89 0.00 0.00 23 Q 7.42 4.32 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 24 R 8.00 4.25 0.00 1.98 1.92 0.00 3.30 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 25 L 7.14 4.78 0.00 1.68 1.62 0.52 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.79 4.66 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.87 4.84 0.00 3.85 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 0.00 28 Y 8.16 5.47 0.00 2.81 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 29 R 8.75 4.42 0.00 1.77 1.87 0.00 2.72 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 30 R 8.50 4.72 0.00 1.92 1.89 0.00 3.42 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 31 I 8.37 4.01 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 0.87 0.00 0.00 32 T 8.52 4.38 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 S 7.85 4.20 0.00 3.86 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 34 S 8.57 4.33 0.00 4.01 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 35 K 7.69 4.13 0.00 1.76 1.93 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 36 C 7.79 4.53 0.00 2.96 2.87 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 0.00 0.00 0.00 37 P 0.00 4.34 0.00 2.20 2.26 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 38 K 7.12 4.54 0.00 1.93 1.77 0.00 1.84 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.64 7.81 39 E 8.55 4.00 0.00 1.92 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 2.28 2.22 0.00 40 A 7.87 4.85 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 41 V 8.48 4.63 1.61 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 -0.10 0.00 0.00 0.71 0.00 0.00 42 I 8.47 4.74 1.84 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 0.44 0.92 0.00 0.00 43 F 9.22 5.24 0.00 3.05 2.96 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 44 K 9.20 5.08 0.00 1.86 1.73 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 45 T 8.75 4.74 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 46 I 8.79 3.74 1.88 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 1.41 0.82 0.92 0.00 0.00 47 V 7.79 4.01 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 0.70 0.00 0.00 0.95 0.00 0.00 48 A 8.21 3.70 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.79 0.00 1.79 1.92 0.00 1.30 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 E 8.70 5.28 0.00 1.87 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 2.25 2.33 0.00 51 I 8.81 4.74 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 1.05 0.00 0.00 52 C 8.84 5.05 0.00 2.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 9.37 5.40 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 54 D 8.59 4.93 0.00 2.43 2.43 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 55 P 0.00 4.29 0.00 2.11 2.02 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 56 K 8.21 4.05 0.00 1.74 1.83 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.40 7.81 57 Q 7.92 4.20 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 58 K 9.05 3.78 0.00 1.84 1.89 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.54 7.81 59 W 8.44 4.36 0.00 3.61 3.32 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 0.00 60 V 6.70 2.98 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 0.72 0.00 0.00 -0.36 0.00 0.00 61 Q 7.77 3.88 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 62 D 8.19 4.37 0.00 2.90 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 63 S 8.29 4.24 0.00 4.10 3.89 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 0.00 0.00 0.00 64 M 8.07 3.57 0.00 1.66 1.97 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.98 0.00 65 D 8.07 4.40 0.00 2.90 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 66 H 8.72 4.24 0.00 3.23 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.19 4.13 0.00 1.89 2.01 1.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.09 4.61 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.09 0.00 1.92 1.95 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.71 1.36 7.81 70 Q 7.56 3.94 0.00 1.98 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 71 T 8.75 4.04 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 1.22 0.00 0.00