NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4653 8.2893 120.3279 55.1409 33.4146 175.0312 2 S 4.4332 8.5157 118.0258 57.7283 64.4866 171.7843 3 G 4.2786 9.2787 108.8799 44.3199 0.0000 173.7185 4 K 4.7708 8.4716 121.1897 56.1911 33.2388 176.0774 5 M 4.6344 8.7080 122.5470 54.7788 36.2758 173.5131 6 T 4.6756 7.9184 114.0165 60.5249 72.4965 173.1555 7 G 4.5354 8.1537 107.6368 47.1517 0.0000 171.7085 8 I 5.0846 8.3266 120.4917 58.9367 40.3180 175.8337 9 V 3.8703 8.6389 127.1881 63.7827 31.7644 176.2314 10 K 4.2308 8.9849 130.2054 58.5046 33.0803 176.8587 11 W 5.0279 7.9002 126.6338 56.5101 34.2318 172.7555 12 F 4.8021 8.7224 129.3621 56.6437 41.7012 173.7307 13 N 4.5534 8.7400 127.0676 51.9603 37.5240 175.3462 14 A 4.2492 8.6881 130.6482 55.0691 18.9129 179.2212 15 D 4.6280 8.3520 114.8491 56.6252 40.9607 177.3139 16 K 4.0689 7.1635 116.2472 55.1923 34.0550 177.3218 17 G 3.8247 8.2290 107.2196 45.4155 0.0000 172.4239 18 F 5.2863 6.9687 117.5927 55.7037 42.3638 174.7520 19 G 4.3168 7.9546 108.0519 45.9259 0.0000 171.4785 20 F 5.5028 9.6564 117.8018 55.6194 43.0910 174.6712 21 I 4.9321 8.8862 122.6118 59.9088 40.4495 174.7739 22 T 4.7469 8.7863 123.7170 61.4855 69.7328 173.1155 23 P 4.8269 0.0000 0.0000 62.5307 32.1334 177.5782 24 D 4.4835 8.7813 120.9517 57.1135 40.8815 178.3392 25 D 4.3737 8.0142 117.5195 55.2520 41.0944 177.2307 26 G 3.8770 8.1840 107.4288 45.5269 0.0000 173.7396 27 S 4.4762 7.6765 114.2480 56.7006 64.2567 173.7137 28 K 4.0724 8.3785 119.4484 56.6412 32.2121 176.7825 29 D 4.7758 8.5353 121.2089 54.7738 41.6732 175.8054 30 V 4.6065 8.8978 123.1561 61.1680 33.8280 174.5226 31 F 4.4125 9.2398 131.4702 57.9197 40.5957 174.1419 32 V 4.3760 7.8067 126.1404 59.9033 33.9215 174.7285 33 H 5.4250 8.3632 120.4653 53.5069 31.0409 175.9414 34 F 4.2961 9.5083 115.0633 60.0233 37.7265 177.9462 35 S 3.5938 6.6745 115.9567 60.7239 62.7544 174.8943 36 A 4.0259 7.6580 122.3685 53.1234 18.6133 176.9003 37 I 4.1134 7.3648 117.4672 61.2590 36.6798 175.7484 38 Q 4.4347 8.6923 124.5324 55.5554 29.0147 176.1445 39 N 4.5967 7.6616 115.6974 52.6221 39.3779 174.8068 40 D 4.4321 8.2729 120.7359 55.4786 41.9152 178.3314 41 G 3.7958 8.4309 108.4097 44.7538 0.0000 172.0475 42 Y 4.0396 8.3982 120.6377 57.3434 39.2028 177.0899 43 K 3.8896 7.8126 126.6457 56.9592 31.2648 175.9607 44 S 3.7147 7.4136 116.7581 57.3228 65.2905 174.3820 45 L 4.3682 6.6181 119.4206 52.6705 44.8302 176.0492 46 D 4.6173 7.7666 119.1776 52.1847 41.4492 175.4923 47 E 4.1795 8.5810 125.8473 58.5653 29.8437 177.9687 48 G 4.0226 9.0752 112.0672 45.0242 0.0000 173.3583 49 Q 4.2882 8.0655 122.0667 55.5300 30.5274 175.0500 50 K 4.8190 8.6297 125.6555 56.4146 33.6406 176.3618 51 V 5.1407 9.0682 117.2623 59.6916 36.7507 174.2779 52 S 5.0557 9.0969 116.4196 56.8316 65.7659 172.6871 53 F 5.3688 8.5389 119.9775 57.4910 41.6877 172.5346 54 T 4.9532 8.9849 109.8502 60.5005 71.4354 173.7367 55 I 5.0461 8.8997 124.4576 59.6494 40.2519 174.0022 56 E 4.7653 9.0764 128.6183 54.2449 31.9418 174.8718 57 S 4.5848 8.9475 123.1446 58.1589 62.9400 173.0268 58 G 4.2305 8.5663 119.2117 43.6599 0.0000 172.6146 59 A 4.0048 8.5359 120.8447 54.7187 18.4192 178.7651 60 K 4.1713 7.8181 112.8129 56.1748 32.6482 175.8570 61 G 3.8009 7.8137 106.2586 43.0057 0.0000 170.6564 62 P 4.8755 0.0000 0.0000 62.8424 32.4355 175.2267 63 A 5.4126 9.1009 125.8879 49.9477 21.8992 175.1006 64 A 4.9173 8.9364 124.2866 51.6124 19.7834 177.1876 65 G 4.0268 8.9557 106.9151 44.6423 0.0000 171.5347 66 N 4.1233 8.3639 117.5125 54.2517 37.1229 173.7296 67 V 4.4609 8.1972 119.9682 62.4063 33.4915 175.5561 68 T 5.0921 8.8440 121.5574 60.0626 71.3366 172.7311 69 S 4.4080 8.9467 121.6935 58.7717 63.1778 173.9021 70 L 4.3091 8.5417 127.4808 55.2871 41.4694 176.0949 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 8.29 4.47 0.00 2.03 2.08 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 2.50 2.49 0.00 2 S 8.52 4.43 0.00 4.02 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 3 G 9.28 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.77 0.00 1.61 1.68 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.41 7.81 5 M 8.71 4.63 0.00 1.72 1.69 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 6 T 7.92 4.68 4.30 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 1.15 0.00 0.00 7 G 8.15 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.33 5.08 1.94 0.00 0.00 0.90 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 0.99 1.03 0.00 0.00 9 V 8.64 3.87 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 1.01 0.00 0.00 0.97 0.00 0.00 10 K 8.98 4.23 0.00 1.98 2.22 0.00 1.97 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.62 1.51 7.81 11 W 7.90 5.03 0.00 3.54 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 F 8.72 4.80 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.74 4.55 0.00 3.01 2.69 0.00 0.00 6.75 8.71 0.00 0.00 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 A 8.69 4.25 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 15 D 8.35 4.63 0.00 2.83 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 16 K 7.16 4.07 0.00 1.71 1.46 0.00 1.87 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.31 7.81 17 G 8.23 3.82 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 0.00 0.00 0.00 18 F 6.97 5.29 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.95 4.32 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 0.00 20 F 9.66 5.50 0.00 3.03 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 21 I 8.89 4.93 1.86 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 1.20 0.00 0.00 22 T 8.79 4.75 4.33 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 1.27 0.00 0.00 23 P 0.00 4.83 0.00 2.22 2.00 0.00 3.82 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 24 D 8.78 4.48 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.37 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.18 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.68 4.48 0.00 4.02 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 28 K 8.38 4.07 0.00 1.81 1.84 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 29 D 8.54 4.78 0.00 2.53 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 30 V 8.90 4.61 2.30 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 1.19 0.00 0.00 1.19 0.00 0.00 31 F 9.24 4.41 0.00 3.17 2.98 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 32 V 7.81 4.38 1.70 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 0.68 0.00 0.00 0.76 0.00 0.00 33 H 8.36 5.43 0.00 3.33 3.40 0.00 5.49 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 9.51 4.30 0.00 3.24 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 35 S 6.67 3.59 0.00 3.01 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.66 4.03 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 37 I 7.36 4.11 1.87 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 1.39 0.66 0.81 0.00 0.00 38 Q 8.69 4.43 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 39 N 7.66 4.60 0.00 2.64 2.70 0.00 0.00 6.95 8.07 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 40 D 8.27 4.43 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.40 4.04 0.00 2.85 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 43 K 7.81 3.89 0.00 1.57 1.89 0.00 2.02 0.00 0.00 2.03 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.34 7.81 44 S 7.41 3.71 0.00 3.79 3.79 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 45 L 6.62 4.37 0.00 1.04 1.32 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.77 4.62 0.00 2.57 2.70 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 0.00 0.00 0.00 0.00 47 E 8.58 4.18 0.00 2.00 2.04 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 2.59 2.53 0.00 48 G 9.08 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 0.00 0.00 0.00 49 Q 8.07 4.29 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 50 K 8.63 4.82 0.00 1.78 1.74 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.49 7.81 51 V 9.07 5.14 2.20 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 0.75 0.00 0.00 1.17 0.00 0.00 52 S 9.10 5.06 0.00 3.81 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 53 F 8.54 5.37 0.00 3.30 3.07 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 54 T 8.98 4.95 4.28 0.00 0.00 0.00 0.00 0.00 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 55 I 8.90 5.05 1.91 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 1.49 1.11 1.01 0.00 0.00 56 E 9.08 4.77 0.00 2.05 1.82 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 2.21 2.23 0.00 57 S 8.95 4.58 0.00 3.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.57 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 0.00 0.00 0.00 0.00 59 A 8.54 4.00 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.82 4.17 0.00 1.65 1.69 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.35 7.81 61 G 7.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.88 0.00 2.25 2.28 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.06 0.00 63 A 9.10 5.41 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.94 4.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.96 4.03 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 0.00 0.00 0.00 66 N 8.36 4.12 0.00 2.97 2.83 0.00 0.00 6.60 7.72 0.00 0.00 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 8.20 4.46 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 0.83 0.00 0.00 0.72 0.00 0.00 68 T 8.84 5.09 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 1.27 0.00 0.00 69 S 8.95 4.41 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 4.31 0.00 1.59 1.61 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00