NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3364 8.1585 120.3408 55.5009 34.6437 177.5908 2 A 4.0484 8.0536 121.2874 53.6421 18.8061 177.9559 3 K 3.8528 9.1286 117.4340 59.5857 33.2986 176.3048 4 E 3.7792 7.8353 117.0358 57.7488 29.7544 177.3347 5 F 4.7531 7.3372 114.1286 56.2068 40.5723 176.0651 6 G 3.9615 8.0862 108.4302 46.2575 0.0000 173.6355 7 I 4.0601 7.6811 121.6727 59.4488 37.6238 174.2464 8 P 4.3278 0.0000 0.0000 62.2725 33.2147 176.9778 9 A 3.9822 8.7425 122.5780 55.6474 18.3469 180.1852 10 A 3.9809 7.9277 118.5023 55.1634 18.4395 179.9772 11 V 3.5129 7.7241 116.0466 66.0819 31.7371 177.8960 12 A 4.1189 8.3256 120.9385 55.2562 18.2138 179.8579 13 G 3.5635 8.7591 104.4911 48.0990 0.0000 176.0704 14 T 3.8706 7.8107 117.5924 66.4532 68.5434 176.7836 15 V 3.6220 7.9789 120.1953 66.2153 31.4760 178.1298 16 L 4.1068 8.2572 118.7027 57.6975 41.4101 179.2374 17 N 4.3355 8.3812 116.8144 56.1435 38.4145 177.5938 18 V 3.5624 7.9561 119.7813 65.7790 31.6299 178.0945 19 V 3.5814 7.8586 117.9625 66.3876 31.2010 178.0307 20 E 4.0509 8.3168 116.5171 58.8478 29.3638 178.3352 21 A 4.3231 8.0014 118.6312 51.7085 18.7902 177.4069 22 G 3.7411 8.0217 105.4396 46.2853 0.0000 174.6130 23 G 3.7618 8.1711 109.5375 44.0198 0.0000 174.6814 24 W 4.6564 8.1569 118.7726 56.2230 30.8157 177.6293 25 V 3.6971 8.6782 122.3870 66.5463 30.9029 178.4216 26 T 3.8931 8.0702 108.8860 65.3239 68.4248 176.3100 27 T 3.9444 8.0171 117.9473 66.3587 68.5087 176.5962 28 I 3.7297 7.7027 121.2744 64.3948 37.0940 178.6227 29 V 3.5819 8.1136 119.3633 66.1220 31.3469 178.2016 30 S 4.1327 8.3224 114.9513 61.6953 62.8222 176.8146 31 I 3.7408 7.8168 122.4088 64.4069 36.8502 178.5794 32 L 4.0287 8.1711 120.2461 57.9341 41.3577 179.6978 33 T 3.8795 8.3416 110.0265 64.7348 68.5037 176.5873 34 A 4.0692 7.9935 122.9835 54.5538 18.4559 179.5817 35 V 3.7459 7.5091 116.4747 64.7524 32.3153 175.7328 36 G 3.9626 8.1206 104.9825 44.1058 0.0000 174.9522 37 S 4.2830 8.9243 113.2910 61.2069 63.0653 176.7445 38 G 4.0518 7.5450 110.8888 47.1333 0.0000 175.8578 39 G 4.0733 7.8616 109.0232 47.0979 0.0000 175.6409 40 L 3.9850 7.9558 121.3645 57.5653 41.5695 179.8545 41 S 4.0513 7.9463 115.2210 61.3798 62.8662 176.4130 42 L 2.9212 7.1190 122.8927 57.7398 41.4763 179.0088 43 L 3.8710 7.5188 117.7631 57.6310 41.7920 179.0821 44 A 4.0332 7.8765 120.6167 54.9939 18.0892 179.5680 45 A 3.9657 7.7068 118.2008 55.0375 18.5360 179.4232 46 A 2.5800 7.6742 118.8382 50.6848 18.3069 181.0039 47 G 3.7643 8.0430 104.2173 46.5361 0.0000 174.8492 48 R 3.9972 9.1536 119.5248 59.0344 30.1157 176.8319 49 E 4.1203 7.7835 117.8736 56.3377 30.2930 177.1068 50 S 4.3122 8.4965 117.1586 58.3398 65.0250 175.2179 51 I 3.7628 8.5143 124.0565 64.2368 37.6166 178.0990 52 K 3.9543 8.0922 119.6704 59.5713 32.2146 178.4905 53 A 4.0511 7.9478 120.6705 55.2376 18.2850 178.9800 54 Y 4.3234 8.4292 119.7791 60.5359 38.8789 178.3776 55 L 4.0091 8.3195 119.8131 57.3877 41.6142 179.6347 56 K 3.9330 8.0789 118.8259 59.3040 32.0481 179.2302 57 K 3.8655 8.1233 119.9007 59.4686 32.0564 178.7266 58 E 3.6376 7.8609 118.8627 59.3100 29.1913 179.4358 59 I 3.6655 7.9402 120.1666 64.1080 36.9158 178.2618 60 K 3.8218 7.9242 119.6269 59.3502 32.0444 178.3602 61 K 4.1500 7.7004 117.0268 58.0088 32.4833 178.3713 62 K 4.2719 8.3832 117.3077 54.6983 33.7961 177.8055 63 G 4.0799 7.7541 104.5492 45.7084 0.0000 174.1267 64 K 3.8193 8.6793 121.5336 59.4285 32.1604 178.8760 65 R 3.8750 8.1098 118.0523 59.7792 29.8309 178.1464 66 A 4.0805 7.9492 119.7227 54.9321 18.1882 179.6487 67 V 3.6803 7.7606 116.3565 66.2042 31.9610 177.9290 68 I 3.9372 8.1525 119.5923 64.4734 36.9423 178.1583 69 A 4.0409 8.1194 121.4910 54.8680 18.1650 177.3003 70 W 4.2911 8.7401 131.7920 57.7586 30.8245 175.4923 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 M 8.16 4.34 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.15 2.69 0.00 2 A 8.05 4.05 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 3 K 9.13 3.85 0.00 1.73 1.79 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 4 E 7.84 3.78 0.00 1.16 1.12 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 1.97 1.87 0.00 5 F 7.34 4.75 0.00 3.13 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 6 G 8.09 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 0.00 0.00 0.00 7 I 7.68 4.06 1.90 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 1.30 0.85 0.93 0.00 0.00 8 P 0.00 4.33 0.00 2.16 1.98 0.00 3.63 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 9 A 8.74 3.98 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 10 A 7.93 3.98 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 11 V 7.72 3.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.94 0.00 0.00 12 A 8.33 4.12 1.42 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 0.00 0.00 13 G 8.76 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 3.87 4.40 0.00 0.00 0.00 0.00 0.00 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 15 V 7.98 3.62 2.26 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 1.08 0.00 0.00 0.98 0.00 0.00 16 L 8.26 4.11 0.00 1.76 1.73 0.99 0.85 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 17 N 8.38 4.34 0.00 2.95 2.86 0.00 0.00 6.55 7.29 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 18 V 7.96 3.56 2.24 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 0.99 0.00 0.00 0.99 0.00 0.00 19 V 7.86 3.58 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 1.00 0.00 0.00 1.01 0.00 0.00 20 E 8.32 4.05 0.00 1.96 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 2.35 2.55 0.00 21 A 8.00 4.32 1.32 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 0.00 0.00 22 G 8.02 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 0.00 0.00 0.00 23 G 8.17 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 0.00 0.00 0.00 24 W 8.16 4.66 0.00 3.45 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 8.68 3.70 2.12 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 1.20 0.00 0.00 0.98 0.00 0.00 26 T 8.07 3.89 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 1.15 0.00 0.00 27 T 8.02 3.94 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 28 I 7.70 3.73 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.96 0.00 0.00 29 V 8.11 3.58 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 1.12 0.00 0.00 1.00 0.00 0.00 30 S 8.32 4.13 0.00 4.08 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 31 I 7.82 3.74 2.01 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 1.53 1.25 0.92 0.00 0.00 32 L 8.17 4.03 0.00 1.66 1.66 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.34 3.88 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 34 A 7.99 4.07 1.39 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 0.00 0.00 0.00 35 V 7.51 3.75 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 0.86 0.00 0.00 0.93 0.00 0.00 36 G 8.12 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 0.00 0.00 0.00 37 S 8.92 4.28 0.00 4.06 4.13 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 38 G 7.55 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 39 G 7.86 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 0.00 0.00 0.00 40 L 7.96 3.98 0.00 1.83 1.68 0.90 0.69 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 41 S 7.95 4.05 0.00 4.01 4.02 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 42 L 7.12 2.92 0.00 0.71 1.41 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.52 3.87 0.00 1.77 1.63 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.88 4.03 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 45 A 7.71 3.97 1.46 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 0.00 0.00 46 A 7.67 2.58 0.95 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 47 G 8.04 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 0.00 0.00 0.00 48 R 9.15 4.00 0.00 1.83 2.01 0.00 3.25 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 49 E 7.78 4.12 0.00 2.25 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 2.40 2.40 0.00 50 S 8.50 4.31 0.00 4.07 4.02 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 51 I 8.51 3.76 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.95 0.00 0.00 52 K 8.09 3.95 0.00 1.92 1.84 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.56 7.81 53 A 7.95 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 4.32 0.00 3.04 3.20 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 55 L 8.32 4.01 0.00 1.81 1.76 1.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.08 3.93 0.00 2.00 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.68 7.81 57 K 8.12 3.87 0.00 1.77 1.83 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.39 7.81 58 E 7.86 3.64 0.00 1.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 59 I 7.94 3.67 1.97 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 1.40 0.83 0.93 0.00 0.00 60 K 7.92 3.82 0.00 1.78 1.99 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 61 K 7.70 4.15 0.00 1.63 1.73 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.58 7.81 62 K 8.38 4.27 0.00 1.62 1.72 0.00 1.14 0.00 0.00 1.39 0.00 0.00 2.69 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.19 1.14 7.81 63 G 7.75 4.08 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 0.00 0.00 0.00 64 K 8.68 3.82 0.00 1.83 1.83 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 65 R 8.11 3.88 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 66 A 7.95 4.08 1.35 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 0.00 0.00 67 V 7.76 3.68 2.26 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 1.08 0.00 0.00 0.85 0.00 0.00 68 I 8.15 3.94 2.08 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 1.51 0.83 0.96 0.00 0.00 69 A 8.12 4.04 1.46 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 0.00 0.00 70 W 8.74 4.29 0.00 3.37 3.36 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 0.00